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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_27/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
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 fromtoFreeze_27.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 = 27 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 27 2700
main_MD> Size of nv and nvoiz: 27 2700
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 = 27
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -3.6756341401240837E-002 -0.13685648801324021 -0.15165297434894984 initial drift of cluster / NP1 for coalescence
init> 0.34568897816594979 0.39030422883668642 0.31735202810710034 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8231579432571796E-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) 2.99742 -2.56544 12.28801
force_rgl> df(natom) 1.95936 1.08999 1.28149
preparo> THERMALIZATION PROCESS AT 1270.0774140377519
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -53.385758506381706 6.8316892025509732 -60.217447708932681 6.5237149536451395E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 38
FREEZING PROCESS: loop number 1 T-loop= 1243.0000000000000
main_MD> interactions number 1 at Temperature= 1243.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31930 1.56284 3.20176
force_rgl> df(natom) 2.35633 2.95343 4.11648
5.0000 -59.83537 -56.22767 3.60770 2.69553 -55.39022 1277.13079
10.0000 -60.99954 -57.11910 3.88044 2.59761 -56.27149 1225.40257
15.0000 -58.00283 -54.02826 3.97457 2.68634 -55.47294 1285.58304
20.0000 -58.49125 -54.19447 4.29678 2.80323 -54.42092 1375.70526
25.0000 -59.97262 -55.50031 4.47231 2.76415 -54.77261 1373.80539
30.0000 -58.38623 -55.13385 3.25238 2.69489 -55.39598 1286.34135
35.0000 -61.26240 -56.94606 4.31634 2.65802 -55.72782 1273.86631
40.0000 -61.11488 -56.51854 4.59634 2.56116 -56.59952 1146.06362
45.0000 -61.02708 -57.76147 3.26561 2.53983 -56.79154 1126.38710
50.0000 -59.34955 -55.45358 3.89597 2.55890 -56.61987 1185.54243
55.0000 -60.41805 -56.20412 4.21393 2.68195 -55.51244 1267.68405
60.0000 -59.30761 -54.87295 4.43465 2.66079 -55.70286 1229.50421
65.0000 -58.66515 -53.41491 5.25025 2.78222 -54.61004 1439.67458
70.0000 -59.64436 -54.95142 4.69294 2.77204 -54.70168 1310.39112
75.0000 -61.09841 -55.10720 5.99121 2.72356 -55.13796 1262.30752
80.0000 -59.14461 -55.42709 3.71751 2.72585 -55.11739 1316.97584
85.0000 -61.51872 -57.50957 4.00916 2.58251 -56.40744 1147.18746
90.0000 -60.46576 -56.76732 3.69844 2.56412 -56.57292 1185.97760
95.0000 -61.71883 -57.50777 4.21106 2.53483 -56.83656 1183.10753
100.0000 -61.53667 -57.82335 3.71332 2.50303 -57.12269 1146.54220
105.0000 -60.29292 -56.19745 4.09547 2.50958 -57.06376 1112.42702
110.0000 -59.91558 -55.73659 4.17899 2.57937 -56.43568 1188.09998
115.0000 -59.31528 -55.24476 4.07052 2.77765 -54.65114 1359.43062
120.0000 -60.92234 -57.50572 3.41662 2.73067 -55.07401 1314.90925
125.0000 -61.17088 -57.66078 3.51010 2.45686 -57.53827 1022.75995
130.0000 -59.90170 -55.35116 4.55054 2.55119 -56.68929 1127.49263
135.0000 -60.63977 -56.97153 3.66824 2.60851 -56.17344 1236.80573
140.0000 -58.97173 -54.96961 4.00212 2.63129 -55.96837 1222.47570
145.0000 -60.24764 -54.18937 6.05827 2.78114 -54.61977 1381.79354
150.0000 -58.33809 -53.49308 4.84500 2.82495 -54.22547 1450.19786
155.0000 -59.89905 -57.00467 2.89437 2.73232 -55.05911 1364.19472
160.0000 -60.82660 -58.05062 2.77598 2.47890 -57.33988 1095.43090
165.0000 -61.28896 -57.19616 4.09281 2.51657 -57.00083 1142.47172
170.0000 -60.94727 -56.85471 4.09256 2.54291 -56.76380 1148.43928
175.0000 -60.93359 -56.38583 4.54777 2.52609 -56.91517 1084.28723
180.0000 -60.77824 -57.13129 3.64696 2.53983 -56.79156 1122.86025
185.0000 -60.44143 -57.21724 3.22419 2.42101 -57.86091 1056.39092
190.0000 -59.15555 -55.46959 3.68596 2.60225 -56.22973 1221.35903
195.0000 -60.89756 -56.07648 4.82107 2.61891 -56.07982 1256.51569
200.0000 -59.54515 -55.14457 4.40058 2.63505 -55.93451 1216.84490
205.0000 -60.70036 -56.75650 3.94386 2.61338 -56.12957 1293.06948
210.0000 -58.94643 -53.86352 5.08291 2.63780 -55.90984 1177.28025
215.0000 -59.31556 -54.71591 4.59965 2.77557 -54.66990 1329.84544
220.0000 -60.24334 -56.17855 4.06478 2.67098 -55.61119 1263.05390
225.0000 -61.18271 -56.50491 4.67781 2.60290 -56.22394 1212.45682
230.0000 -60.98372 -56.98771 3.99601 2.45893 -57.51960 1080.94806
235.0000 -60.57615 -56.54754 4.02861 2.58573 -56.37843 1177.77581
240.0000 -59.17224 -54.44678 4.72546 2.70105 -55.34053 1300.90632
245.0000 -60.34011 -55.04229 5.29782 2.75938 -54.81557 1374.12470
250.0000 -61.33349 -57.45428 3.87921 2.63092 -55.97169 1264.88375
FREEZING PROCESS: loop number 2 T-loop= 1218.0000000000000
main_MD> interactions number 2 at Temperature= 1218.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39787 -2.24129 -2.29703
force_rgl> df(natom) 1.92204 1.62448 -0.47805
255.0000 -61.54499 -57.84190 3.70308 2.45670 -57.53970 1097.25226
260.0000 -61.33952 -58.13812 3.20141 2.42109 -57.86021 1049.33201
265.0000 -60.86600 -58.30650 2.55950 2.39837 -58.06469 1018.02315
270.0000 -61.38066 -57.46601 3.91465 2.44482 -57.64664 1080.14151
275.0000 -60.60917 -56.37847 4.23070 2.56345 -56.57897 1145.60369
280.0000 -60.86648 -56.50113 4.36536 2.58321 -56.40114 1180.94237
285.0000 -60.23329 -55.14904 5.08425 2.71365 -55.22711 1235.12623
290.0000 -59.68715 -54.79268 4.89446 2.71419 -55.22229 1316.97573
295.0000 -58.46930 -54.71129 3.75801 2.75030 -54.89726 1284.73060
300.0000 -61.59149 -58.15992 3.43157 2.67939 -55.53548 1315.26871
305.0000 -61.47366 -57.48204 3.99162 2.34381 -58.55569 950.35889
310.0000 -60.26935 -57.46920 2.80015 2.50248 -57.12772 1067.07863
315.0000 -61.04957 -56.15136 4.89822 2.57492 -56.47573 1165.79066
320.0000 -59.55730 -55.32923 4.22808 2.58142 -56.41725 1206.80968
325.0000 -58.52366 -54.84899 3.67467 2.65053 -55.79524 1208.74128
330.0000 -61.04727 -56.55147 4.49580 2.73755 -55.01208 1331.09876
335.0000 -61.61592 -56.48870 5.12722 2.60510 -56.20406 1181.21627
340.0000 -60.03321 -55.85453 4.17868 2.57890 -56.43986 1183.54896
345.0000 -61.10356 -55.90008 5.20348 2.64801 -55.81789 1260.75191
350.0000 -60.11719 -56.25798 3.85921 2.57496 -56.47534 1180.40068
355.0000 -61.37864 -56.67816 4.70048 2.64442 -55.85018 1210.46658
360.0000 -60.16544 -54.95351 5.21193 2.72674 -55.10932 1318.00685
365.0000 -61.12104 -55.42395 5.69709 2.67038 -55.61662 1246.06285
370.0000 -60.89611 -56.93619 3.95992 2.62285 -56.04434 1178.90466
375.0000 -60.52208 -56.40006 4.12201 2.52848 -56.89370 1100.20167
380.0000 -60.98847 -56.64229 4.34618 2.57006 -56.51948 1117.97086
385.0000 -60.48050 -56.16368 4.31682 2.67367 -55.58694 1271.51777
390.0000 -59.12671 -54.03259 5.09413 2.69439 -55.40048 1198.86791
395.0000 -59.48008 -54.78731 4.69277 2.84119 -54.07928 1371.18006
400.0000 -59.63685 -56.15622 3.48062 2.68024 -55.52786 1280.64719
405.0000 -60.60786 -56.62191 3.98596 2.61661 -56.10051 1158.97211
410.0000 -61.73629 -56.21596 5.52033 2.57616 -56.46455 1226.73656
415.0000 -59.76331 -55.58969 4.17362 2.58915 -56.34768 1152.52332
420.0000 -59.61187 -55.56635 4.04552 2.68010 -55.52909 1232.43147
425.0000 -59.21228 -55.05328 4.15900 2.71010 -55.25913 1283.98569
430.0000 -60.24141 -56.18217 4.05924 2.80137 -54.43766 1385.45070
435.0000 -60.32735 -55.46593 4.86142 2.71602 -55.20582 1276.03775
440.0000 -60.16553 -56.15667 4.00887 2.61807 -56.08740 1132.75141
445.0000 -60.48864 -57.38508 3.10356 2.55684 -56.63844 1059.35994
450.0000 -60.45163 -56.70166 3.74997 2.52348 -56.93871 1111.73427
455.0000 -60.55397 -56.32800 4.22597 2.57317 -56.49150 1145.55737
460.0000 -60.80657 -57.07970 3.72686 2.51861 -56.98248 1128.94941
465.0000 -61.24951 -58.46222 2.78729 2.36025 -58.40775 972.12272
470.0000 -60.00919 -56.60845 3.40075 2.46751 -57.44243 1065.14554
475.0000 -61.90394 -57.49434 4.40961 2.50684 -57.08841 1114.01838
480.0000 -61.52392 -56.88040 4.64353 2.45731 -57.53421 1063.85112
485.0000 -60.46682 -56.34787 4.11896 2.58262 -56.40646 1165.46424
490.0000 -60.33326 -54.78905 5.54421 2.65498 -55.75520 1286.89478
495.0000 -59.41048 -54.70747 4.70301 2.79860 -54.46263 1347.63953
500.0000 -58.48034 -53.02296 5.45739 2.92297 -53.34330 1506.23065
FREEZING PROCESS: loop number 3 T-loop= 1193.0000000000000
main_MD> interactions number 3 at Temperature= 1193.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91350 1.21571 0.62268
force_rgl> df(natom) -2.08541 2.61470 2.61494
505.0000 -60.83339 -55.19127 5.64212 2.81853 -54.28319 1373.92796
510.0000 -60.38773 -56.11081 4.27691 2.58492 -56.38570 1205.44579
515.0000 -60.49850 -56.18852 4.30998 2.68783 -55.45953 1291.17824
520.0000 -61.58301 -58.06704 3.51597 2.49832 -57.16509 1099.82693
525.0000 -61.22292 -56.29033 4.93258 2.53031 -56.87722 1187.89595
530.0000 -58.13919 -53.45823 4.68096 2.79302 -54.51283 1426.17358
535.0000 -59.62809 -54.36954 5.25855 2.86532 -53.86211 1457.52913
540.0000 -60.43659 -55.96015 4.47644 2.67253 -55.59722 1242.78902
545.0000 -60.11638 -56.01430 4.10208 2.57404 -56.48364 1172.71101
550.0000 -59.57717 -55.31474 4.26243 2.65019 -55.79831 1252.78561
555.0000 -58.84223 -55.82401 3.01822 2.69381 -55.40572 1186.39902
560.0000 -59.98532 -55.68264 4.30269 2.67380 -55.58584 1268.06655
565.0000 -60.57124 -56.69928 3.87196 2.62020 -56.06823 1206.80743
570.0000 -60.20726 -56.42806 3.77920 2.62355 -56.03808 1221.96513
575.0000 -60.48925 -56.11572 4.37353 2.54553 -56.74021 1127.89419
580.0000 -60.20237 -54.52839 5.67398 2.64089 -55.88202 1279.34087
585.0000 -58.59967 -54.38955 4.21012 2.85161 -53.98551 1428.10290
590.0000 -60.24219 -55.88410 4.35808 2.69231 -55.41924 1280.75575
595.0000 -59.47087 -56.07301 3.39786 2.62005 -56.06955 1157.12781
600.0000 -60.76011 -56.62655 4.13356 2.58374 -56.39634 1171.42287
605.0000 -60.01799 -55.32880 4.68918 2.60321 -56.22111 1168.01477
610.0000 -59.46307 -55.46489 3.99818 2.65833 -55.72501 1250.34606
615.0000 -60.40636 -56.40452 4.00184 2.72759 -55.10171 1305.86343
620.0000 -60.64203 -56.84142 3.80061 2.47633 -57.36301 1108.61315
625.0000 -61.21860 -57.33328 3.88532 2.47529 -57.37237 1070.36856
630.0000 -60.70145 -56.36454 4.33691 2.57309 -56.49222 1156.45640
635.0000 -60.06726 -55.94959 4.11767 2.54420 -56.75223 1058.14113
640.0000 -60.22911 -55.72554 4.50357 2.61487 -56.11616 1241.31319
645.0000 -60.12969 -56.58237 3.54732 2.61587 -56.10713 1176.05419
650.0000 -60.60688 -57.03499 3.57189 2.61256 -56.13693 1192.32685
655.0000 -61.07139 -56.35729 4.71410 2.51903 -56.97877 1137.31858
660.0000 -60.99887 -57.34994 3.64893 2.53723 -56.81493 1129.78632
665.0000 -61.27253 -56.20697 5.06556 2.56659 -56.55067 1168.42565
670.0000 -61.40095 -57.69808 3.70287 2.51306 -57.03246 1157.43111
675.0000 -61.06762 -57.58437 3.48325 2.45830 -57.52534 1050.17954
680.0000 -60.37327 -56.95383 3.41944 2.52202 -56.95184 1080.48917
685.0000 -59.81997 -55.39125 4.42873 2.62521 -56.02315 1177.58065
690.0000 -60.45162 -57.20952 3.24210 2.65672 -55.73948 1236.49075
695.0000 -61.12043 -57.45239 3.66805 2.44633 -57.63300 1044.07652
700.0000 -60.34522 -56.25889 4.08634 2.56875 -56.53125 1128.95417
705.0000 -59.85432 -56.01149 3.84283 2.59954 -56.25415 1245.90752
710.0000 -59.49356 -56.44350 3.05006 2.61022 -56.15802 1173.31177
715.0000 -60.40628 -56.66136 3.74493 2.56429 -56.57142 1105.35450
720.0000 -60.17168 -55.32135 4.85033 2.56099 -56.60112 1190.37322
725.0000 -57.97401 -54.42971 3.54430 2.75822 -54.82599 1405.03255
730.0000 -60.39574 -55.34533 5.05041 2.75471 -54.85764 1349.69900
735.0000 -59.88015 -55.53763 4.34252 2.60781 -56.17969 1261.95943
740.0000 -60.63765 -56.28976 4.34789 2.63634 -55.92295 1215.68837
745.0000 -61.07466 -54.85215 6.22251 2.68136 -55.51772 1306.29586
750.0000 -61.27809 -56.11486 5.16324 2.56691 -56.54781 1171.75714
FREEZING PROCESS: loop number 4 T-loop= 1168.0000000000000
main_MD> interactions number 4 at Temperature= 1168.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.23282 -3.23633 8.06485
force_rgl> df(natom) 1.22528 -0.64934 -0.23635
755.0000 -60.66991 -56.84294 3.82697 2.54445 -56.74992 1150.16206
760.0000 -59.29549 -56.29077 3.00471 2.55466 -56.65802 1122.94741
765.0000 -59.64402 -54.99836 4.64566 2.62250 -56.04754 1118.27244
770.0000 -59.97014 -56.10118 3.86896 2.66644 -55.65207 1260.07642
775.0000 -59.84689 -56.35993 3.48696 2.62515 -56.02363 1181.70048
780.0000 -59.84209 -55.28213 4.55996 2.65168 -55.78491 1253.09298
785.0000 -60.96597 -56.13145 4.83452 2.62244 -56.04806 1232.76387
790.0000 -59.46356 -56.29950 3.16406 2.62505 -56.02453 1217.56182
795.0000 -60.45119 -56.39874 4.05245 2.61516 -56.11359 1201.40717
800.0000 -60.21584 -56.87372 3.34211 2.48832 -57.25513 1041.19172
805.0000 -60.74890 -55.78295 4.96595 2.56761 -56.54152 1160.84120
810.0000 -59.75792 -56.41435 3.34357 2.63567 -55.92900 1205.62990
815.0000 -60.45431 -56.13958 4.31473 2.55215 -56.68062 1096.26431
820.0000 -61.45640 -57.79635 3.66005 2.58943 -56.34511 1172.79323
825.0000 -61.55619 -57.91937 3.63682 2.42642 -57.81218 1041.28822
830.0000 -60.95302 -57.10632 3.84670 2.50733 -57.08404 1114.96531
835.0000 -61.83306 -57.59209 4.24097 2.36047 -58.40576 934.77298
840.0000 -60.54761 -57.04914 3.49847 2.49421 -57.20213 1136.91131
845.0000 -60.70231 -56.93051 3.77180 2.58289 -56.40399 1175.96024
850.0000 -60.39647 -56.98671 3.40976 2.51124 -57.04883 1080.51991
855.0000 -61.24554 -57.07927 4.16627 2.54420 -56.75221 1176.30043
860.0000 -60.40432 -56.35510 4.04922 2.53426 -56.84170 1100.22400
865.0000 -61.49099 -56.46464 5.02635 2.52384 -56.93544 1155.14042
870.0000 -61.06248 -55.54087 5.52162 2.67093 -55.61160 1278.56869
875.0000 -59.77121 -55.55987 4.21134 2.69209 -55.42115 1357.11680
880.0000 -60.08938 -55.87012 4.21926 2.60683 -56.18854 1189.02705
885.0000 -60.71643 -55.58606 5.13037 2.72414 -55.13271 1313.63166
890.0000 -60.46944 -56.68298 3.78646 2.67460 -55.57856 1282.12430
895.0000 -61.48011 -58.17824 3.30186 2.55278 -56.67498 1147.46531
900.0000 -59.59805 -55.08709 4.51096 2.60962 -56.16341 1168.88727
905.0000 -62.15296 -57.48326 4.66970 2.65542 -55.75118 1263.48244
910.0000 -62.14338 -57.41362 4.72976 2.47414 -57.38276 1055.15012
915.0000 -61.00742 -57.58471 3.42271 2.47594 -57.36650 1085.73587
920.0000 -60.40026 -56.18180 4.21846 2.58182 -56.41361 1243.98334
925.0000 -60.21473 -55.67958 4.53515 2.56011 -56.60898 1151.12784
930.0000 -60.57654 -57.67854 2.89800 2.52077 -56.96306 1122.99035
935.0000 -59.25058 -55.84156 3.40903 2.58423 -56.39195 1112.86834
940.0000 -60.47302 -56.01260 4.46041 2.58416 -56.39253 1188.57026
945.0000 -59.56203 -54.85488 4.70714 2.65986 -55.71122 1250.63468
950.0000 -59.12963 -55.04156 4.08807 2.64195 -55.87246 1202.75958
955.0000 -60.01373 -55.89865 4.11508 2.79123 -54.52891 1382.89392
960.0000 -59.59572 -55.25285 4.34288 2.69264 -55.41627 1253.46861
965.0000 -60.21711 -56.08448 4.13263 2.66381 -55.67573 1352.42005
970.0000 -61.44458 -57.35650 4.08809 2.58788 -56.35907 1210.53321
975.0000 -60.48432 -56.72959 3.75473 2.53461 -56.83848 1121.35010
980.0000 -58.92528 -54.41976 4.50552 2.64183 -55.87351 1290.04531
985.0000 -60.80772 -56.68169 4.12602 2.67350 -55.58847 1242.79712
990.0000 -59.70875 -54.59109 5.11766 2.69339 -55.40947 1276.68886
995.0000 -59.36034 -53.95755 5.40279 2.87763 -53.75135 1475.85456
1000.0000 -59.69384 -54.17735 5.51648 2.89801 -53.56789 1473.65321
FREEZING PROCESS: loop number 5 T-loop= 1143.0000000000000
main_MD> interactions number 5 at Temperature= 1143.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.67679 4.70263 -0.41462
force_rgl> df(natom) -0.80631 -0.36346 3.53032
1005.0000 -60.66719 -55.80066 4.86653 2.77782 -54.64962 1348.94575
1010.0000 -60.38351 -56.54607 3.83744 2.58000 -56.43004 1223.44729
1015.0000 -60.10157 -56.32175 3.77982 2.55622 -56.64403 1126.17981
1020.0000 -61.11759 -56.66831 4.44928 2.59235 -56.31888 1137.96336
1025.0000 -59.47753 -55.37426 4.10327 2.66633 -55.65300 1248.65880
1030.0000 -60.02081 -56.88163 3.13918 2.64874 -55.81131 1080.63889
1035.0000 -60.39451 -55.89992 4.49459 2.59657 -56.28090 1142.63211
1040.0000 -59.01918 -54.25734 4.76184 2.74318 -54.96139 1390.50996
1045.0000 -59.31395 -54.60539 4.70856 2.76416 -54.77256 1339.43778
1050.0000 -59.71148 -54.70074 5.01073 2.68740 -55.46340 1301.04582
1055.0000 -59.44187 -54.16741 5.27446 2.82305 -54.24255 1356.42450
1060.0000 -60.01184 -56.38758 3.62426 2.67481 -55.57670 1298.17358
1065.0000 -60.82810 -57.49458 3.33352 2.49842 -57.16420 1071.06974
1070.0000 -61.08018 -57.56223 3.51796 2.49240 -57.21838 1106.36560
1075.0000 -59.41874 -55.75505 3.66369 2.51942 -56.97519 1139.27602
1080.0000 -60.42885 -56.36661 4.06224 2.57927 -56.43661 1139.53373
1085.0000 -60.54009 -57.18525 3.35484 2.51269 -57.03577 1132.67215
1090.0000 -58.83857 -55.69127 3.14731 2.67057 -55.61483 1285.01809
1095.0000 -61.21265 -57.71914 3.49352 2.58742 -56.36324 1172.39016
1100.0000 -59.73891 -55.73899 3.99992 2.57735 -56.45385 1193.03969
1105.0000 -60.27002 -55.99375 4.27627 2.55564 -56.64922 1126.08305
1110.0000 -61.44817 -57.02384 4.42432 2.51945 -56.97499 1109.33496
1115.0000 -59.26159 -55.65176 3.60983 2.61131 -56.14819 1225.94796
1120.0000 -60.71334 -55.49512 5.21822 2.59157 -56.32587 1233.53704
1125.0000 -60.91279 -56.43047 4.48233 2.61081 -56.15268 1230.52430
1130.0000 -60.96981 -57.43680 3.53301 2.56415 -56.57265 1131.17481
1135.0000 -61.20184 -57.13565 4.06619 2.49331 -57.21023 1064.03157
1140.0000 -60.19616 -56.06995 4.12621 2.53203 -56.86169 1117.38379
1145.0000 -60.12966 -56.70716 3.42250 2.60555 -56.20009 1183.82660
1150.0000 -60.55774 -57.20406 3.35368 2.61667 -56.09999 1205.71368
1155.0000 -60.24180 -55.58221 4.65960 2.57132 -56.50815 1195.30533
1160.0000 -60.08898 -56.08635 4.00263 2.61946 -56.07490 1220.54678
1165.0000 -60.51170 -57.98735 2.52434 2.48435 -57.29084 1086.98411
1170.0000 -62.18035 -57.50916 4.67119 2.46496 -57.46538 1013.27558
1175.0000 -60.77161 -57.23994 3.53167 2.35103 -58.49071 961.43451
1180.0000 -59.64545 -54.97320 4.67224 2.59752 -56.27233 1186.93691
1185.0000 -59.46757 -54.70909 4.75849 2.75559 -54.84966 1421.64262
1190.0000 -60.72983 -57.18223 3.54760 2.61790 -56.08890 1185.59381
1195.0000 -62.15694 -58.05230 4.10464 2.47420 -57.38220 1114.61363
1200.0000 -61.07888 -57.78813 3.29076 2.36783 -58.33957 1002.12895
1205.0000 -62.76259 -58.19375 4.56884 2.33801 -58.60787 933.41571
1210.0000 -60.54908 -57.38189 3.16719 2.42468 -57.82791 1039.98020
1215.0000 -60.85237 -56.02089 4.83148 2.51248 -57.03771 1093.97097
1220.0000 -59.91160 -56.88290 3.02869 2.58297 -56.40325 1189.41201
1225.0000 -58.63309 -54.27043 4.36266 2.68319 -55.50133 1275.73881
1230.0000 -60.43334 -56.32748 4.10587 2.69208 -55.42127 1292.92587
1235.0000 -61.32270 -57.28620 4.03649 2.49145 -57.22698 1047.31128
1240.0000 -60.50128 -56.41792 4.08336 2.52153 -56.95619 1129.96047
1245.0000 -60.73165 -56.30793 4.42372 2.55022 -56.69803 1144.08734
1250.0000 -60.28624 -55.85346 4.43278 2.58153 -56.41620 1216.59795
FREEZING PROCESS: loop number 6 T-loop= 1118.0000000000000
main_MD> interactions number 6 at Temperature= 1118.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53837 -1.09199 1.39975
force_rgl> df(natom) -2.38365 0.36963 -0.85879
1255.0000 -60.72414 -56.33864 4.38551 2.63608 -55.92531 1183.94866
1260.0000 -60.30431 -56.64350 3.66081 2.57069 -56.51375 1159.26054
1265.0000 -60.36245 -55.14312 5.21932 2.60143 -56.23717 1152.80261
1270.0000 -60.15334 -56.36417 3.78917 2.61165 -56.14513 1225.23396
1275.0000 -61.95233 -58.38717 3.56516 2.38559 -58.17970 1008.50663
1280.0000 -61.07969 -57.49392 3.58577 2.43699 -57.71705 1007.91424
1285.0000 -60.70801 -56.72580 3.98221 2.51159 -57.04572 1086.01731
1290.0000 -60.57800 -56.83521 3.74278 2.52038 -56.96657 1082.12579
1295.0000 -61.00617 -55.95017 5.05600 2.56753 -56.54221 1123.01719
1300.0000 -60.49918 -55.30047 5.19871 2.65923 -55.71697 1291.04092
1305.0000 -60.72344 -54.66550 6.05794 2.72374 -55.13630 1256.07648
1310.0000 -60.97678 -55.93330 5.04348 2.72741 -55.10329 1315.04816
1315.0000 -60.82224 -56.65564 4.16659 2.58947 -56.34478 1193.86300
1320.0000 -61.55748 -58.38839 3.16909 2.57962 -56.43346 1160.25572
1325.0000 -62.41605 -58.91821 3.49784 2.37936 -58.23579 1013.60016
1330.0000 -61.46661 -58.56835 2.89827 2.32810 -58.69709 991.09006
1335.0000 -60.48158 -56.44691 4.03468 2.43256 -57.75693 1060.57800
1340.0000 -60.88585 -56.60556 4.28029 2.51007 -57.05935 1124.95566
1345.0000 -60.71734 -56.60425 4.11309 2.51424 -57.02180 1122.52993
1350.0000 -60.39417 -55.83012 4.56406 2.62792 -55.99873 1249.92274
1355.0000 -60.43174 -55.15490 5.27683 2.69092 -55.43172 1323.08029
1360.0000 -60.78123 -55.65843 5.12280 2.59104 -56.33064 1240.05520
1365.0000 -59.66988 -55.89200 3.77787 2.67556 -55.56994 1283.14711
1370.0000 -60.84901 -56.80783 4.04118 2.61233 -56.13907 1192.65485
1375.0000 -59.90249 -55.47551 4.42698 2.59879 -56.26090 1168.94505
1380.0000 -60.91962 -57.18059 3.73904 2.56366 -56.57708 1119.54989
1385.0000 -61.48847 -57.75961 3.72886 2.47775 -57.35027 1082.59580
1390.0000 -61.53237 -57.39835 4.13402 2.38741 -58.16329 1005.27300
1395.0000 -61.52531 -58.46549 3.05982 2.45275 -57.57522 1019.94329
1400.0000 -59.84279 -56.20100 3.64179 2.48970 -57.24270 1079.63145
1405.0000 -61.01031 -57.38272 3.62759 2.50313 -57.12180 1090.09038
1410.0000 -61.28246 -56.96199 4.32047 2.50534 -57.10196 1107.77778
1415.0000 -61.63598 -58.36153 3.27446 2.45450 -57.55952 1111.82228
1420.0000 -61.14596 -57.42111 3.72485 2.42716 -57.80560 1073.33819
1425.0000 -61.38227 -57.18714 4.19512 2.52695 -56.90745 1123.54473
1430.0000 -60.30454 -56.89636 3.40818 2.49602 -57.18583 1050.05419
1435.0000 -60.10482 -55.63129 4.47352 2.64327 -55.86053 1237.82901
1440.0000 -59.94754 -55.97863 3.96891 2.61392 -56.12469 1196.01829
1445.0000 -60.06490 -56.70707 3.35783 2.68396 -55.49438 1274.85480
1450.0000 -60.92711 -57.24344 3.68367 2.46864 -57.43220 1076.09049
1455.0000 -60.81358 -56.88691 3.92667 2.45448 -57.55965 1012.06646
1460.0000 -60.20494 -56.22087 3.98407 2.57590 -56.46689 1199.54860
1465.0000 -59.89109 -56.43678 3.45431 2.56612 -56.55489 1171.29481
1470.0000 -61.41941 -57.46473 3.95468 2.54656 -56.73096 1153.63668
1475.0000 -61.81323 -58.76905 3.04418 2.36364 -58.37725 989.04339
1480.0000 -60.96190 -57.50101 3.46089 2.45511 -57.55403 1099.18339
1485.0000 -60.46915 -57.59651 2.87264 2.41383 -57.92549 1004.51580
1490.0000 -60.99870 -56.24480 4.75389 2.58275 -56.40529 1143.06679
1495.0000 -61.69561 -56.14589 5.54972 2.56129 -56.59837 1110.72569
1500.0000 -60.95422 -56.55828 4.39593 2.62251 -56.04745 1194.38238
FREEZING PROCESS: loop number 7 T-loop= 1093.0000000000000
main_MD> interactions number 7 at Temperature= 1093.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71231 -0.73081 2.05643
force_rgl> df(natom) -1.64704 4.17894 -1.65674
1505.0000 -60.79263 -56.85867 3.93396 2.57162 -56.50546 1131.52523
1510.0000 -60.57307 -56.83858 3.73448 2.52618 -56.91440 1076.25255
1515.0000 -60.16575 -56.01729 4.14846 2.59610 -56.28512 1197.88783
1520.0000 -60.80183 -56.61340 4.18843 2.60163 -56.23530 1216.46306
1525.0000 -60.51282 -56.85700 3.65582 2.46558 -57.45976 1085.37710
1530.0000 -60.36774 -57.27676 3.09099 2.49893 -57.15963 1032.58394
1535.0000 -60.80494 -56.87639 3.92854 2.53328 -56.85047 1156.53750
1540.0000 -58.39641 -56.41239 1.98402 2.58880 -56.35081 1140.46461
1545.0000 -60.95530 -57.96540 2.98990 2.52826 -56.89570 1101.21134
1550.0000 -60.64075 -57.04182 3.59893 2.44490 -57.64587 1056.64818
1555.0000 -61.51821 -57.13041 4.38780 2.57022 -56.51800 1198.91761
1560.0000 -61.27187 -57.38749 3.88438 2.51348 -57.02871 1163.08764
1565.0000 -60.59707 -58.20480 2.39227 2.38206 -58.21149 960.41042
1570.0000 -62.09266 -58.55145 3.54121 2.37391 -58.28482 980.65233
1575.0000 -61.04307 -56.81957 4.22350 2.43890 -57.69993 1086.14166
1580.0000 -61.35811 -57.81591 3.54220 2.44151 -57.67638 1027.51659
1585.0000 -61.66233 -57.27342 4.38891 2.45634 -57.54297 1097.90771
1590.0000 -61.56515 -56.65831 4.90684 2.49747 -57.17280 1116.84840
1595.0000 -61.83852 -58.18253 3.65599 2.47492 -57.37575 1058.29490
1600.0000 -60.41169 -56.56945 3.84224 2.48514 -57.28374 1046.63327
1605.0000 -62.17853 -57.90483 4.27371 2.48898 -57.24917 1148.40663
1610.0000 -61.71908 -59.00019 2.71888 2.39060 -58.13459 1067.79717
1615.0000 -61.86495 -58.78177 3.08318 2.27606 -59.16545 896.83120
1620.0000 -62.13899 -58.82610 3.31289 2.37115 -58.30967 1009.62182
1625.0000 -61.82044 -58.05262 3.76782 2.29732 -58.97413 1007.16466
1630.0000 -61.84032 -58.18655 3.65377 2.39685 -58.07837 1090.48886
1635.0000 -60.20289 -56.44999 3.75290 2.53030 -56.87732 1158.77085
1640.0000 -60.01206 -55.32322 4.68884 2.67219 -55.60029 1215.17941
1645.0000 -60.33538 -57.59320 2.74218 2.60725 -56.18472 1136.51803
1650.0000 -61.61125 -58.41949 3.19176 2.40058 -58.04482 980.20980
1655.0000 -60.77109 -56.88690 3.88418 2.41858 -57.88280 989.72870
1660.0000 -61.50888 -58.17543 3.33346 2.46066 -57.50408 1085.69930
1665.0000 -60.60935 -57.31574 3.29361 2.44218 -57.67037 1057.87787
1670.0000 -61.04352 -57.02022 4.02330 2.47604 -57.36560 1123.88759
1675.0000 -60.37422 -55.03291 5.34131 2.58995 -56.34045 1200.40249
1680.0000 -61.34806 -56.89362 4.45443 2.58588 -56.37706 1242.64420
1685.0000 -61.63414 -57.58009 4.05405 2.51854 -56.98318 1096.40745
1690.0000 -61.13904 -58.39873 2.74031 2.39365 -58.10711 925.34655
1695.0000 -60.84625 -56.92927 3.91699 2.39206 -58.12150 1033.42366
1700.0000 -59.74943 -56.59459 3.15484 2.53999 -56.79011 1062.58049
1705.0000 -61.56874 -58.15115 3.41759 2.46960 -57.42360 1038.05328
1710.0000 -61.88316 -58.52663 3.35653 2.34358 -58.55779 932.80373
1715.0000 -61.27645 -58.47307 2.80338 2.33712 -58.61589 947.87244
1720.0000 -60.02587 -55.42813 4.59774 2.51171 -57.04461 1118.81368
1725.0000 -59.73025 -56.14993 3.58032 2.67414 -55.58273 1268.23648
1730.0000 -60.77514 -57.47765 3.29749 2.52634 -56.91297 1158.38766
1735.0000 -61.61942 -57.38984 4.22958 2.50524 -57.10287 1112.28844
1740.0000 -61.44258 -57.58693 3.85565 2.46008 -57.50931 1064.71099
1745.0000 -62.09477 -58.51887 3.57590 2.40806 -57.97750 1025.79769
1750.0000 -61.56823 -58.35680 3.21142 2.33200 -58.66204 954.30784
FREEZING PROCESS: loop number 8 T-loop= 1068.0000000000000
main_MD> interactions number 8 at Temperature= 1068.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59906 1.38163 -3.76058
force_rgl> df(natom) 0.82386 1.82455 3.22171
1755.0000 -59.31480 -55.68830 3.62650 2.45108 -57.59032 1026.59692
1760.0000 -60.19166 -55.34597 4.84569 2.67116 -55.60957 1254.05841
1765.0000 -60.02876 -56.95220 3.07655 2.63839 -55.90453 1208.07149
1770.0000 -60.68075 -57.08692 3.59383 2.54459 -56.74868 1099.05771
1775.0000 -60.56149 -56.75113 3.81036 2.55472 -56.65751 1154.37279
1780.0000 -61.07373 -56.43354 4.64019 2.54168 -56.77489 1099.37440
1785.0000 -62.08014 -58.82861 3.25154 2.50814 -57.07672 1142.05677
1790.0000 -61.23118 -57.43433 3.79685 2.35614 -58.44473 963.91695
1795.0000 -60.59389 -56.25677 4.33712 2.55722 -56.63498 1166.83403
1800.0000 -61.18081 -57.94795 3.23285 2.50207 -57.13137 1109.03025
1805.0000 -61.21337 -58.08111 3.13226 2.40773 -57.98040 1058.84180
1810.0000 -61.25280 -57.08926 4.16354 2.43208 -57.76129 1051.78649
1815.0000 -61.20937 -57.55553 3.65384 2.51147 -57.04676 1104.67379
1820.0000 -61.31229 -57.22825 4.08404 2.48815 -57.25664 1062.68398
1825.0000 -61.61479 -58.08566 3.52913 2.49509 -57.19422 1109.19482
1830.0000 -60.92105 -57.80300 3.11804 2.45347 -57.56880 1058.37151
1835.0000 -62.00202 -57.58152 4.42050 2.44187 -57.67318 1031.65492
1840.0000 -62.49023 -59.03912 3.45111 2.37866 -58.24208 1003.61295
1845.0000 -61.65081 -58.01780 3.63301 2.34019 -58.58832 882.53434
1850.0000 -60.83106 -57.14015 3.69091 2.46807 -57.43734 1006.16729
1855.0000 -61.71737 -58.33019 3.38717 2.42793 -57.79859 1023.82160
1860.0000 -61.76942 -57.33789 4.43154 2.46986 -57.42124 1175.37783
1865.0000 -61.27723 -57.20973 4.06750 2.44172 -57.67449 995.64428
1870.0000 -62.42689 -59.83350 2.59340 2.30759 -58.88172 920.40683
1875.0000 -62.96838 -60.22117 2.74721 2.19890 -59.85992 811.14240
1880.0000 -62.03216 -58.72045 3.31171 2.18467 -59.98800 838.90407
1885.0000 -61.67650 -58.83762 2.83888 2.34600 -58.53602 948.61019
1890.0000 -61.75401 -58.31231 3.44170 2.33054 -58.67515 921.83831
1895.0000 -62.23967 -56.80411 5.43556 2.46913 -57.42787 1133.22949
1900.0000 -59.55861 -56.40737 3.15124 2.46605 -57.45555 1053.90959
1905.0000 -60.95058 -56.56764 4.38294 2.59700 -56.27701 1175.31804
1910.0000 -60.59890 -56.92809 3.67082 2.50812 -57.07689 1090.34906
1915.0000 -62.59901 -58.10615 4.49286 2.41557 -57.90990 1022.15857
1920.0000 -62.35887 -58.01947 4.33940 2.28517 -59.08351 962.00364
1925.0000 -61.87536 -57.70938 4.16598 2.39507 -58.09438 1012.78863
1930.0000 -61.33032 -57.09343 4.23689 2.38611 -58.17501 999.79369
1935.0000 -60.43316 -56.88700 3.54616 2.52874 -56.89132 1138.22472
1940.0000 -60.13889 -56.18922 3.94966 2.56276 -56.58515 1143.27020
1945.0000 -60.84184 -57.05587 3.78597 2.54991 -56.70077 1114.46379
1950.0000 -60.43466 -57.09865 3.33601 2.52451 -56.92943 1177.76400
1955.0000 -60.33238 -55.65572 4.67666 2.54982 -56.70163 1141.95136
1960.0000 -59.06055 -55.34800 3.71255 2.64981 -55.80173 1268.35420
1965.0000 -60.21895 -56.16873 4.05023 2.64326 -55.86070 1258.18413
1970.0000 -60.79250 -57.84612 2.94638 2.49235 -57.21881 1060.29377
1975.0000 -61.51166 -57.95818 3.55348 2.39472 -58.09755 1011.00786
1980.0000 -61.25409 -58.63140 2.62269 2.37109 -58.31019 958.86554
1985.0000 -62.44481 -59.43950 3.00531 2.28774 -59.06036 968.39956
1990.0000 -61.73549 -58.62216 3.11333 2.32239 -58.74852 961.77210
1995.0000 -61.04747 -57.62976 3.41772 2.33014 -58.67870 934.38515
2000.0000 -59.69543 -56.65824 3.03719 2.40277 -58.02510 978.64066
FREEZING PROCESS: loop number 9 T-loop= 1043.0000000000000
main_MD> interactions number 9 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82205 -1.18311 3.20726
force_rgl> df(natom) 4.11530 10.98920 -2.87581
2005.0000 -61.59190 -58.17460 3.41730 2.46148 -57.49666 1060.72638
2010.0000 -62.37283 -59.20307 3.16976 2.36244 -58.38807 1020.90034
2015.0000 -61.72853 -58.81627 2.91227 2.28874 -59.05131 886.96957
2020.0000 -62.32636 -58.40075 3.92561 2.33320 -58.65119 934.22274
2025.0000 -61.59982 -58.57825 3.02156 2.33465 -58.63815 922.91568
2030.0000 -60.58974 -57.87401 2.71573 2.31048 -58.85571 935.47148
2035.0000 -61.28422 -57.80230 3.48191 2.45352 -57.56830 1063.95465
2040.0000 -61.41183 -57.41009 4.00173 2.46856 -57.43296 1059.15733
2045.0000 -61.51236 -58.65167 2.86069 2.38584 -58.17747 985.06557
2050.0000 -61.88799 -57.15708 4.73091 2.38557 -58.17984 1020.42916
2055.0000 -61.63230 -57.85840 3.77391 2.39786 -58.06928 1025.05718
2060.0000 -62.29606 -57.65511 4.64096 2.46647 -57.45174 1093.95687
2065.0000 -62.24703 -58.24258 4.00446 2.30244 -58.92808 875.80489
2070.0000 -60.62451 -57.00421 3.62030 2.44922 -57.60703 1061.96644
2075.0000 -59.90033 -56.06483 3.83550 2.54255 -56.76706 1158.12150
2080.0000 -60.44972 -55.78902 4.66070 2.62881 -55.99070 1211.80790
2085.0000 -60.53716 -56.33635 4.20081 2.57444 -56.48001 1148.20742
2090.0000 -60.64751 -56.69268 3.95483 2.62853 -55.99325 1239.21719
2095.0000 -60.80644 -56.89817 3.90827 2.60227 -56.22959 1181.54445
2100.0000 -61.94504 -59.01426 2.93079 2.45870 -57.52169 1026.82333
2105.0000 -60.87069 -56.93472 3.93597 2.38470 -58.18768 995.81732
2110.0000 -61.36173 -57.50384 3.85789 2.49152 -57.22629 1138.75955
2115.0000 -61.62014 -58.07575 3.54439 2.42568 -57.81888 1008.76237
2120.0000 -61.50587 -57.65828 3.84759 2.42991 -57.78083 1039.27978
2125.0000 -60.58461 -56.62583 3.95877 2.54285 -56.76432 1156.39533
2130.0000 -60.50970 -55.97158 4.53813 2.68930 -55.44629 1294.26878
2135.0000 -62.57618 -58.99223 3.58395 2.41565 -57.90916 1001.14344
2140.0000 -61.30547 -57.52298 3.78249 2.39637 -58.08270 1017.61166
2145.0000 -62.03648 -58.15504 3.88144 2.43788 -57.70911 1077.43305
2150.0000 -62.03244 -58.47425 3.55819 2.37673 -58.25947 977.75910
2155.0000 -61.95622 -57.93433 4.02190 2.37687 -58.25819 972.18416
2160.0000 -60.75818 -57.02944 3.72874 2.45638 -57.54261 1067.32411
2165.0000 -61.16741 -57.05233 4.11508 2.56015 -56.60863 1091.37406
2170.0000 -59.92510 -56.67392 3.25118 2.48085 -57.32235 1057.25984
2175.0000 -61.05402 -56.95618 4.09784 2.49336 -57.20978 1082.13282
2180.0000 -61.42676 -57.63839 3.78837 2.49152 -57.22635 1096.40080
2185.0000 -61.45172 -57.63183 3.81990 2.54896 -56.70934 1086.51299
2190.0000 -62.37835 -58.07654 4.30181 2.47436 -57.38073 1113.78592
2195.0000 -61.92991 -58.17627 3.75364 2.41912 -57.87789 1069.02948
2200.0000 -61.51299 -58.05842 3.45457 2.31122 -58.84900 915.83434
2205.0000 -61.30066 -56.55158 4.74908 2.45524 -57.55280 1071.83043
2210.0000 -61.63542 -57.33745 4.29798 2.53757 -56.81188 1144.52579
2215.0000 -61.99285 -57.78609 4.20676 2.40703 -57.98674 965.48365
2220.0000 -61.14919 -57.62971 3.51948 2.42363 -57.83734 1048.19332
2225.0000 -61.92403 -57.20429 4.71974 2.45798 -57.52816 1072.32375
2230.0000 -61.32321 -56.36289 4.96032 2.50886 -57.07029 1107.89395
2235.0000 -61.71087 -56.74308 4.96779 2.54591 -56.73680 1154.70878
2240.0000 -61.04798 -56.87803 4.16996 2.54410 -56.75313 1145.33822
2245.0000 -61.67827 -57.13948 4.53879 2.53710 -56.81609 1072.44280
2250.0000 -60.31118 -56.80055 3.51063 2.50692 -57.08772 1139.83815
FREEZING PROCESS: loop number 10 T-loop= 1018.0000000000000
main_MD> interactions number 10 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03058 1.06549 -3.58563
force_rgl> df(natom) 2.96172 -1.22918 -0.51875
2255.0000 -60.89470 -56.29846 4.59624 2.49126 -57.22868 1051.44304
2260.0000 -60.52052 -57.46994 3.05058 2.53015 -56.87866 1078.78141
2265.0000 -61.64634 -58.10469 3.54165 2.38980 -58.14182 998.22177
2270.0000 -61.47795 -58.41508 3.06288 2.36167 -58.39501 950.06945
2275.0000 -62.02845 -58.76110 3.26736 2.37682 -58.25865 997.83307
2280.0000 -62.29813 -57.23298 5.06515 2.43815 -57.70666 1068.49354
2285.0000 -60.49235 -57.04845 3.44390 2.45976 -57.51216 1043.74109
2290.0000 -61.85087 -58.05778 3.79309 2.44974 -57.60238 1081.41697
2295.0000 -61.69414 -58.86254 2.83160 2.33091 -58.67180 973.16445
2300.0000 -61.83760 -58.64983 3.18776 2.35839 -58.42453 942.92060
2305.0000 -62.59615 -58.88239 3.71376 2.32133 -58.75802 934.51644
2310.0000 -60.98728 -57.18897 3.79831 2.37683 -58.25857 1009.00694
2315.0000 -60.85385 -57.29429 3.55956 2.53528 -56.83244 1078.80981
2320.0000 -60.14975 -55.57124 4.57852 2.64916 -55.80757 1234.31889
2325.0000 -60.35993 -57.23026 3.12968 2.54559 -56.73966 1166.60169
2330.0000 -60.56897 -57.96944 2.59954 2.41779 -57.88993 1015.62583
2335.0000 -61.58674 -57.67727 3.90947 2.44103 -57.68074 1022.08341
2340.0000 -61.53809 -57.18452 4.35358 2.43707 -57.71634 1029.48401
2345.0000 -61.44595 -57.28609 4.15986 2.47017 -57.41846 1053.93961
2350.0000 -61.37498 -56.97384 4.40113 2.51093 -57.05167 1131.15792
2355.0000 -61.86204 -59.22663 2.63541 2.34656 -58.53098 961.93220
2360.0000 -61.65129 -58.98587 2.66541 2.30940 -58.86537 896.03971
2365.0000 -61.79964 -59.04536 2.75428 2.29061 -59.03447 914.64562
2370.0000 -60.77365 -57.23198 3.54167 2.39477 -58.09710 1029.39815
2375.0000 -61.99790 -59.15721 2.84069 2.33457 -58.63885 947.44354
2380.0000 -62.24640 -58.62229 3.62411 2.28684 -59.06847 893.36320
2385.0000 -61.24742 -57.47803 3.76938 2.43247 -57.75778 1056.56245
2390.0000 -60.96494 -56.95544 4.00950 2.50174 -57.13434 1117.60817
2395.0000 -61.39349 -57.67031 3.72318 2.48316 -57.30153 1072.49848
2400.0000 -61.67910 -58.17975 3.49935 2.46874 -57.43132 1105.92716
2405.0000 -62.05860 -58.86026 3.19835 2.34003 -58.58976 938.29210
2410.0000 -62.25323 -58.51298 3.74025 2.33343 -58.64916 949.02331
2415.0000 -62.48329 -59.81893 2.66436 2.24937 -59.40563 925.94901
2420.0000 -61.57544 -58.20618 3.36927 2.31535 -58.81184 978.60045
2425.0000 -61.68313 -59.55374 2.12939 2.35235 -58.47887 900.88135
2430.0000 -62.02453 -59.00273 3.02180 2.30696 -58.88736 933.91141
2435.0000 -62.08621 -59.06946 3.01675 2.25950 -59.31450 919.14131
2440.0000 -62.87182 -58.87651 3.99530 2.23868 -59.50191 855.66243
2445.0000 -61.71289 -58.14792 3.56497 2.29859 -58.96273 919.65478
2450.0000 -62.31176 -58.93937 3.37239 2.32517 -58.72345 896.68827
2455.0000 -61.67770 -58.68431 2.99339 2.28447 -59.08977 918.50003
2460.0000 -61.97820 -58.45935 3.51885 2.34309 -58.56219 937.71072
2465.0000 -61.56029 -57.73768 3.82261 2.42388 -57.83510 998.54140
2470.0000 -60.99686 -57.41521 3.58165 2.47586 -57.36724 1121.21261
2475.0000 -62.32292 -58.72346 3.59945 2.42735 -57.80382 1004.65699
2480.0000 -62.75533 -59.45168 3.30366 2.26019 -59.30832 892.75824
2485.0000 -63.04228 -59.53564 3.50664 2.24262 -59.46639 860.54848
2490.0000 -61.72786 -57.81902 3.90885 2.34887 -58.51018 948.12982
2495.0000 -61.93912 -58.05144 3.88768 2.35590 -58.44692 949.08156
2500.0000 -62.53982 -58.60622 3.93359 2.31063 -58.85434 943.32176
FREEZING PROCESS: loop number 11 T-loop= 993.00000000000000
main_MD> interactions number 11 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.39671 2.31882 2.67694
force_rgl> df(natom) 0.28621 -0.50193 3.10099
2505.0000 -61.68868 -58.06221 3.62647 2.34941 -58.50532 1006.12028
2510.0000 -61.68050 -58.63145 3.04905 2.39717 -58.07547 1012.09545
2515.0000 -63.05529 -58.10960 4.94568 2.32704 -58.70668 1021.99296
2520.0000 -61.77392 -58.35414 3.41979 2.44447 -57.64979 1035.89789
2525.0000 -61.39639 -57.92629 3.47010 2.38564 -58.17927 962.74590
2530.0000 -61.40682 -57.92987 3.47695 2.47495 -57.37546 1019.78153
2535.0000 -60.41243 -57.72430 2.68814 2.40906 -57.96843 1005.02679
2540.0000 -62.12530 -59.51600 2.60930 2.34372 -58.55648 963.05791
2545.0000 -61.48405 -57.74770 3.73635 2.32181 -58.75369 993.08945
2550.0000 -61.60136 -57.94195 3.65941 2.40434 -58.01092 1073.51350
2555.0000 -60.91155 -58.31177 2.59978 2.40421 -58.01213 979.80445
2560.0000 -61.07014 -57.73148 3.33866 2.42893 -57.78964 1046.83297
2565.0000 -61.78042 -58.46640 3.31402 2.41968 -57.87284 1043.52349
2570.0000 -62.06875 -58.55865 3.51010 2.30772 -58.88052 950.53469
2575.0000 -62.11525 -58.54704 3.56821 2.32132 -58.75808 934.44499
2580.0000 -62.18745 -59.43132 2.75613 2.29592 -58.98668 891.72725
2585.0000 -61.58031 -57.34491 4.23540 2.25276 -59.37513 871.48309
2590.0000 -60.63270 -57.30299 3.32971 2.45518 -57.55339 1081.75839
2595.0000 -60.99335 -57.91005 3.08330 2.46043 -57.50616 1043.79602
2600.0000 -61.57522 -58.64518 2.93004 2.38173 -58.21446 1027.08170
2605.0000 -61.88865 -58.95357 2.93508 2.31417 -58.82245 874.87850
2610.0000 -61.39546 -57.61857 3.77688 2.37356 -58.28798 987.20540
2615.0000 -60.74506 -57.58780 3.15725 2.47721 -57.35508 1040.90671
2620.0000 -60.32470 -56.62242 3.70228 2.50729 -57.08435 997.49510
2625.0000 -61.46711 -58.79329 2.67383 2.42587 -57.81720 978.68390
2630.0000 -61.02983 -58.11390 2.91592 2.33911 -58.59797 894.32508
2635.0000 -61.35992 -58.49502 2.86490 2.37511 -58.27398 956.50313
2640.0000 -62.21974 -58.65512 3.56462 2.33417 -58.64244 897.30659
2645.0000 -59.95486 -56.75143 3.20343 2.44407 -57.65333 1071.53548
2650.0000 -61.78635 -58.16965 3.61671 2.46101 -57.50088 1070.37190
2655.0000 -61.49420 -57.98261 3.51159 2.33026 -58.67762 934.07095
2660.0000 -60.85986 -57.71395 3.14591 2.42799 -57.79805 1041.73369
2665.0000 -61.25714 -57.70777 3.54937 2.41138 -57.94760 1012.61283
2670.0000 -61.65095 -58.20810 3.44285 2.41088 -57.95209 960.01249
2675.0000 -61.66118 -58.76123 2.89995 2.32879 -58.69088 942.51551
2680.0000 -62.43385 -59.68590 2.74794 2.29141 -59.02734 905.84991
2685.0000 -61.93645 -58.46137 3.47508 2.36057 -58.40489 949.26921
2690.0000 -62.36622 -58.90419 3.46203 2.26096 -59.30132 893.57862
2695.0000 -61.70088 -59.11845 2.58243 2.27414 -59.18273 912.03358
2700.0000 -61.36725 -57.67109 3.69616 2.40513 -58.00381 1026.53579
2705.0000 -61.90425 -57.88085 4.02340 2.42663 -57.81031 1054.05044
2710.0000 -61.38519 -57.75523 3.62996 2.42770 -57.80073 990.06216
2715.0000 -61.82308 -58.51694 3.30613 2.41550 -57.91054 1049.90421
2720.0000 -61.62574 -58.67377 2.95197 2.38219 -58.21027 997.33818
2725.0000 -60.92589 -58.69024 2.23565 2.34051 -58.58542 940.88191
2730.0000 -62.26073 -58.21384 4.04690 2.39366 -58.10703 989.61863
2735.0000 -61.74313 -58.36577 3.37736 2.40083 -58.04256 1056.13843
2740.0000 -61.34911 -57.71267 3.63644 2.35401 -58.46395 979.39661
2745.0000 -60.81758 -57.73660 3.08098 2.40756 -57.98197 1011.57111
2750.0000 -61.59641 -58.50890 3.08750 2.38169 -58.21475 1026.89761
FREEZING PROCESS: loop number 12 T-loop= 968.00000000000000
main_MD> interactions number 12 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.99288 -2.55101 -0.06098
force_rgl> df(natom) 1.01691 0.28565 0.52877
2755.0000 -61.62704 -58.44297 3.18407 2.44072 -57.68355 1033.24794
2760.0000 -60.95874 -57.76255 3.19619 2.44875 -57.61125 1049.78829
2765.0000 -61.30186 -57.52135 3.78050 2.41706 -57.89643 984.35646
2770.0000 -61.33648 -57.99264 3.34384 2.46799 -57.43810 1022.53793
2775.0000 -62.57672 -59.23058 3.34615 2.28622 -59.07406 911.90566
2780.0000 -62.86414 -59.38981 3.47433 2.31517 -58.81347 970.88152
2785.0000 -61.47868 -58.43745 3.04122 2.30560 -58.89957 856.45125
2790.0000 -62.25885 -59.43703 2.82182 2.26621 -59.25412 851.72782
2795.0000 -62.69178 -60.08369 2.60809 2.22274 -59.64538 850.19994
2800.0000 -61.39453 -58.54531 2.84922 2.22851 -59.59340 873.47073
2805.0000 -61.64759 -57.60418 4.04341 2.38243 -58.20814 981.79816
2810.0000 -61.73226 -57.88143 3.85083 2.48535 -57.28186 1079.14101
2815.0000 -62.69927 -58.42568 4.27359 2.40688 -57.98806 1064.09142
2820.0000 -62.50894 -59.11035 3.39859 2.30725 -58.88475 944.24486
2825.0000 -61.95557 -58.82692 3.12865 2.27786 -59.14929 939.58687
2830.0000 -62.09926 -59.28589 2.81337 2.33581 -58.62769 931.96943
2835.0000 -62.34819 -58.70842 3.63977 2.29635 -58.98287 911.27511
2840.0000 -61.74638 -59.24871 2.49768 2.31700 -58.79696 934.87746
2845.0000 -62.52388 -59.24385 3.28003 2.32889 -58.68998 949.68371
2850.0000 -61.64492 -58.98978 2.65514 2.30684 -58.88843 900.93610
2855.0000 -62.41758 -59.11186 3.30572 2.24872 -59.41156 864.07400
2860.0000 -62.46921 -60.07953 2.38969 2.20001 -59.84990 827.76374
2865.0000 -63.18704 -59.95578 3.23127 2.16068 -60.20386 781.72926
2870.0000 -62.23837 -59.51718 2.72119 2.20206 -59.83150 795.29484
2875.0000 -61.90802 -59.37607 2.53196 2.29463 -58.99833 896.34763
2880.0000 -62.86732 -60.21116 2.65616 2.20261 -59.82647 795.77476
2885.0000 -62.89184 -60.31660 2.57525 2.14337 -60.35966 763.38923
2890.0000 -62.07916 -59.29881 2.78035 2.28678 -59.06899 854.11974
2895.0000 -62.33090 -59.16553 3.16537 2.30141 -58.93727 917.49931
2900.0000 -62.57391 -58.83110 3.74282 2.33928 -58.59651 973.58327
2905.0000 -62.11229 -59.20202 2.91028 2.24524 -59.44286 856.43676
2910.0000 -62.01686 -58.77642 3.24044 2.30689 -58.88795 902.36163
2915.0000 -62.23769 -59.44603 2.79166 2.29570 -58.98868 896.73677
2920.0000 -61.78796 -58.40749 3.38047 2.28149 -59.11662 921.31322
2925.0000 -62.54167 -59.17335 3.36831 2.33425 -58.64174 918.34503
2930.0000 -61.57929 -58.81331 2.76599 2.25954 -59.31414 832.33655
2935.0000 -61.73140 -59.28903 2.44237 2.30632 -58.89313 887.91119
2940.0000 -61.88984 -58.29496 3.59488 2.26230 -59.28933 842.24479
2945.0000 -60.75588 -57.38316 3.37272 2.46380 -57.47584 1056.51435
2950.0000 -62.86534 -58.87250 3.99284 2.32875 -58.69129 926.19061
2955.0000 -63.19290 -59.94969 3.24321 2.18596 -59.97638 838.50195
2960.0000 -62.78338 -60.32062 2.46276 2.18864 -59.95223 804.49727
2965.0000 -62.36727 -59.29130 3.07597 2.21632 -59.70311 860.65090
2970.0000 -62.35917 -58.83476 3.52441 2.26200 -59.29201 845.54246
2975.0000 -61.55403 -58.67308 2.88096 2.29049 -59.03561 928.46286
2980.0000 -62.30439 -58.77027 3.53412 2.33566 -58.62904 1011.83619
2985.0000 -60.92578 -56.68731 4.23847 2.40300 -58.02299 1030.08378
2990.0000 -61.37727 -57.64603 3.73124 2.50826 -57.07567 1107.54098
2995.0000 -62.15961 -58.91600 3.24361 2.35072 -58.49352 987.30042
3000.0000 -61.52362 -57.96301 3.56061 2.35141 -58.48727 984.77820
FREEZING PROCESS: loop number 13 T-loop= 943.00000000000000
main_MD> interactions number 13 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80860 -2.22349 -2.71602
force_rgl> df(natom) -2.10271 2.67114 1.30503
3005.0000 -61.76753 -59.09810 2.66943 2.27282 -59.19465 863.87008
3010.0000 -63.10373 -59.72673 3.37700 2.31283 -58.83453 952.55415
3015.0000 -61.62861 -58.21865 3.40996 2.33261 -58.65650 927.64717
3020.0000 -62.27179 -59.04446 3.22733 2.35784 -58.42947 989.50524
3025.0000 -61.79883 -58.94516 2.85367 2.36056 -58.40495 966.74027
3030.0000 -61.50504 -58.45100 3.05404 2.26946 -59.22488 885.94886
3035.0000 -62.71207 -59.38145 3.33062 2.31247 -58.83774 923.10168
3040.0000 -61.38253 -57.65224 3.73030 2.36943 -58.32514 993.28483
3045.0000 -61.62813 -57.90701 3.72112 2.37296 -58.29334 978.29322
3050.0000 -62.08487 -59.58877 2.49610 2.33541 -58.63135 928.58727
3055.0000 -62.49642 -59.17304 3.32338 2.26630 -59.25326 860.56193
3060.0000 -61.89270 -58.42138 3.47132 2.33536 -58.63175 918.77986
3065.0000 -63.64175 -60.61971 3.02204 2.23703 -59.51675 890.88227
3070.0000 -62.93606 -59.69296 3.24310 2.21124 -59.74881 807.41840
3075.0000 -60.43079 -57.59782 2.83297 2.31009 -58.85918 896.85707
3080.0000 -61.07063 -58.79471 2.27592 2.42007 -57.86940 949.52330
3085.0000 -62.29653 -59.62315 2.67338 2.33332 -58.65010 936.63772
3090.0000 -62.25814 -59.04901 3.20913 2.22102 -59.66078 804.72943
3095.0000 -62.44165 -58.68184 3.75981 2.30266 -58.92603 956.30995
3100.0000 -60.94468 -57.59574 3.34894 2.37300 -58.29297 1014.12180
3105.0000 -62.43225 -58.78527 3.64698 2.37175 -58.30425 1020.38871
3110.0000 -61.22568 -58.63454 2.59114 2.34307 -58.56240 919.94316
3115.0000 -61.10424 -57.78010 3.32415 2.38327 -58.20060 980.31181
3120.0000 -59.66725 -56.29219 3.37507 2.43520 -57.73320 1071.98615
3125.0000 -61.11836 -57.28408 3.83427 2.54470 -56.74768 1141.36109
3130.0000 -60.79679 -57.24429 3.55251 2.49077 -57.23306 1090.42762
3135.0000 -60.90720 -56.89539 4.01181 2.54961 -56.70350 1136.11254
3140.0000 -61.13006 -58.27393 2.85613 2.49961 -57.15347 1084.19436
3145.0000 -61.68237 -58.52077 3.16160 2.33364 -58.64724 843.67450
3150.0000 -62.19776 -59.18439 3.01336 2.29242 -59.01822 919.39338
3155.0000 -61.91422 -59.62999 2.28423 2.23114 -59.56972 847.11649
3160.0000 -62.40925 -60.24815 2.16110 2.22367 -59.63695 885.99994
3165.0000 -61.52272 -58.65318 2.86954 2.24957 -59.40387 823.96993
3170.0000 -61.44322 -57.57783 3.86539 2.33971 -58.59264 917.88675
3175.0000 -61.22416 -56.94857 4.27559 2.49104 -57.23063 1057.84148
3180.0000 -61.49395 -57.09958 4.39437 2.47582 -57.36760 1056.05461
3185.0000 -60.05284 -57.19084 2.86200 2.51233 -57.03899 1117.84981
3190.0000 -61.76036 -57.97250 3.78786 2.45267 -57.57601 1045.20573
3195.0000 -62.30146 -59.03383 3.26763 2.31824 -58.78583 988.06916
3200.0000 -63.10910 -60.55486 2.55424 2.19727 -59.87458 843.17943
3205.0000 -63.60543 -60.87859 2.72684 2.10668 -60.68984 753.23124
3210.0000 -62.98938 -59.77057 3.21881 2.11292 -60.63372 770.40015
3215.0000 -63.15533 -59.56089 3.59443 2.19103 -59.93069 806.52571
3220.0000 -61.51399 -58.50919 3.00480 2.26635 -59.25288 890.33747
3225.0000 -61.50669 -58.55022 2.95647 2.34378 -58.55601 983.29869
3230.0000 -62.00776 -58.84388 3.16388 2.41698 -57.89718 984.84858
3235.0000 -62.05329 -57.95946 4.09383 2.29669 -58.97981 949.94629
3240.0000 -61.57559 -58.26823 3.30736 2.43691 -57.71782 1106.72806
3245.0000 -61.44664 -57.93882 3.50781 2.35704 -58.43660 946.93268
3250.0000 -61.25126 -58.12274 3.12853 2.40842 -57.97422 981.75347
FREEZING PROCESS: loop number 14 T-loop= 918.00000000000000
main_MD> interactions number 14 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07891 2.26260 2.15024
force_rgl> df(natom) 3.66928 0.34939 1.22043
3255.0000 -62.52343 -59.76690 2.75653 2.38289 -58.20396 980.10598
3260.0000 -62.34119 -59.29690 3.04429 2.18734 -59.96398 791.42828
3265.0000 -62.64382 -60.24025 2.40357 2.24219 -59.47031 836.41807
3270.0000 -62.57923 -59.35715 3.22208 2.23975 -59.49227 834.26738
3275.0000 -64.19389 -59.76794 4.42595 2.23781 -59.50975 805.75245
3280.0000 -61.46333 -58.49510 2.96823 2.28159 -59.11569 904.48189
3285.0000 -61.70498 -58.45508 3.24989 2.31417 -58.82244 912.64276
3290.0000 -61.95439 -58.94931 3.00508 2.33500 -58.63498 973.61140
3295.0000 -61.27396 -58.31223 2.96173 2.38247 -58.20777 986.80926
3300.0000 -61.91652 -58.54195 3.37457 2.36856 -58.33298 910.57575
3305.0000 -61.62583 -57.42670 4.19913 2.34805 -58.51752 919.75462
3310.0000 -61.28958 -58.01303 3.27656 2.40679 -57.98888 1017.54248
3315.0000 -61.55586 -58.37989 3.17598 2.36738 -58.34358 962.65540
3320.0000 -62.63598 -59.24009 3.39589 2.36341 -58.37930 935.38364
3325.0000 -61.93662 -58.49178 3.44484 2.32830 -58.69532 933.59430
3330.0000 -62.68628 -59.18493 3.50136 2.36498 -58.36516 1024.20611
3335.0000 -62.58237 -58.34525 4.23712 2.29818 -58.96636 944.90069
3340.0000 -61.67101 -58.13145 3.53957 2.37549 -58.27055 974.89404
3345.0000 -61.90043 -59.45153 2.44890 2.33542 -58.63125 908.53987
3350.0000 -62.37175 -59.66239 2.70936 2.22215 -59.65068 839.09163
3355.0000 -62.40402 -59.23182 3.17220 2.28231 -59.10924 904.54601
3360.0000 -61.92610 -58.65410 3.27200 2.35317 -58.47145 942.88246
3365.0000 -62.14566 -58.52996 3.61570 2.32395 -58.73445 917.33807
3370.0000 -61.77427 -58.48268 3.29159 2.30288 -58.92410 914.80644
3375.0000 -62.30542 -58.79913 3.50629 2.30102 -58.94084 881.12204
3380.0000 -61.64597 -57.82463 3.82134 2.43471 -57.73763 1022.37863
3385.0000 -61.42388 -57.98113 3.44275 2.49333 -57.21004 1107.96706
3390.0000 -62.71010 -59.49222 3.21788 2.33612 -58.62490 967.55609
3395.0000 -63.14747 -58.34132 4.80616 2.29908 -58.95830 903.61846
3400.0000 -60.86759 -58.32922 2.53837 2.35360 -58.46756 996.47785
3405.0000 -61.60696 -58.17913 3.42782 2.35889 -58.41998 925.29697
3410.0000 -62.43282 -59.60692 2.82590 2.26444 -59.27005 871.77211
3415.0000 -61.70709 -58.86393 2.84316 2.26540 -59.26143 867.55276
3420.0000 -62.03804 -58.51264 3.52540 2.32040 -58.76641 902.66073
3425.0000 -60.42692 -57.02096 3.40595 2.40860 -57.97258 1011.78405
3430.0000 -60.53212 -57.27311 3.25901 2.51671 -56.99960 1146.53899
3435.0000 -61.08798 -57.53157 3.55641 2.47007 -57.41939 1104.72533
3440.0000 -62.22146 -58.49236 3.72910 2.37723 -58.25492 992.59285
3445.0000 -63.01780 -60.80548 2.21232 2.24628 -59.43348 911.94043
3450.0000 -61.91014 -59.22991 2.68022 2.23872 -59.50153 896.97078
3455.0000 -61.90611 -58.76462 3.14148 2.33188 -58.66304 920.74852
3460.0000 -62.19649 -59.00331 3.19318 2.31855 -58.78302 936.44041
3465.0000 -62.08443 -58.67906 3.40537 2.30103 -58.94073 929.29851
3470.0000 -61.34567 -58.43811 2.90755 2.36327 -58.38061 986.25651
3475.0000 -60.99920 -57.62289 3.37631 2.41300 -57.93302 1022.43369
3480.0000 -60.65387 -57.39341 3.26045 2.41467 -57.91797 987.76055
3485.0000 -61.76757 -58.06008 3.70749 2.41081 -57.95270 1014.08552
3490.0000 -61.40500 -58.61769 2.78731 2.41225 -57.93978 971.57268
3495.0000 -61.81927 -58.03612 3.78315 2.36976 -58.32214 978.42578
3500.0000 -62.38836 -60.08491 2.30345 2.28157 -59.11585 886.57444
FREEZING PROCESS: loop number 15 T-loop= 893.00000000000000
main_MD> interactions number 15 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.77083 4.56920 4.55754
force_rgl> df(natom) -2.80235 -4.13013 -2.56330
3505.0000 -61.86207 -59.06266 2.79942 2.27277 -59.19509 913.47289
3510.0000 -62.40809 -59.36830 3.03979 2.30747 -58.88277 923.14586
3515.0000 -62.48231 -59.33788 3.14444 2.28376 -59.09617 895.72712
3520.0000 -62.05718 -57.67555 4.38163 2.32342 -58.73919 906.57662
3525.0000 -61.88158 -58.45605 3.42553 2.38300 -58.20303 1009.92707
3530.0000 -61.29041 -58.37839 2.91202 2.36687 -58.34821 931.85253
3535.0000 -62.08199 -58.86687 3.21512 2.38109 -58.22019 928.36833
3540.0000 -62.16689 -59.09581 3.07107 2.33907 -58.59837 1037.65989
3545.0000 -62.13926 -59.53472 2.60454 2.28608 -59.07525 909.97165
3550.0000 -62.01862 -58.27327 3.74535 2.29538 -58.99154 935.26531
3555.0000 -62.18202 -58.57531 3.60670 2.29627 -58.98353 933.79764
3560.0000 -60.99961 -57.88468 3.11492 2.29785 -58.96933 960.09529
3565.0000 -62.40388 -59.41251 2.99137 2.34848 -58.51371 952.81732
3570.0000 -62.57617 -58.80946 3.76671 2.24266 -59.46608 830.33051
3575.0000 -61.02017 -58.89803 2.12214 2.26729 -59.24437 884.14717
3580.0000 -62.84511 -59.88759 2.95752 2.19679 -59.87888 795.34962
3585.0000 -62.50429 -59.18265 3.32164 2.23148 -59.56666 873.91071
3590.0000 -61.95291 -59.76051 2.19240 2.24345 -59.45898 864.68950
3595.0000 -62.15709 -59.29943 2.85765 2.24079 -59.48293 832.73625
3600.0000 -62.19424 -58.84207 3.35218 2.35514 -58.45373 997.88105
3605.0000 -62.30818 -58.92064 3.38754 2.26480 -59.26677 939.91239
3610.0000 -63.37665 -61.16249 2.21416 2.17898 -60.03917 811.59763
3615.0000 -62.78799 -59.32397 3.46402 2.14842 -60.31418 790.46188
3620.0000 -62.40837 -58.83379 3.57459 2.32493 -58.72560 951.25532
3625.0000 -61.98939 -58.45638 3.53301 2.37923 -58.23696 999.03494
3630.0000 -63.18754 -59.92605 3.26149 2.28144 -59.11705 915.20045
3635.0000 -63.07352 -59.93819 3.13533 2.23481 -59.53669 832.28642
3640.0000 -63.11785 -60.38306 2.73479 2.13285 -60.45432 739.99819
3645.0000 -62.78276 -60.43179 2.35097 2.12420 -60.53216 749.20110
3650.0000 -61.49967 -58.98400 2.51567 2.24201 -59.47192 848.04526
3655.0000 -62.09741 -59.77522 2.32219 2.27457 -59.17890 857.97137
3660.0000 -62.83979 -60.09141 2.74837 2.19081 -59.93274 827.04451
3665.0000 -63.53978 -60.97889 2.56089 2.10761 -60.68155 732.71150
3670.0000 -62.30087 -59.40054 2.90033 2.12418 -60.53242 746.07345
3675.0000 -62.17380 -59.09526 3.07854 2.26122 -59.29904 835.78301
3680.0000 -60.93873 -58.23700 2.70173 2.32067 -58.76395 867.30305
3685.0000 -62.21159 -58.39732 3.81427 2.38920 -58.14724 996.85939
3690.0000 -62.44468 -59.64186 2.80282 2.29499 -58.99507 893.58176
3695.0000 -61.49528 -58.41338 3.08190 2.28569 -59.07877 903.57033
3700.0000 -61.88926 -57.64168 4.24759 2.40671 -57.98963 993.90044
3705.0000 -62.43488 -58.82471 3.61017 2.37607 -58.26536 949.48936
3710.0000 -62.07103 -58.31372 3.75730 2.33482 -58.63666 892.77384
3715.0000 -62.50649 -59.28608 3.22040 2.35423 -58.46193 953.59570
3720.0000 -62.51947 -59.07730 3.44217 2.25234 -59.37892 844.62893
3725.0000 -61.88622 -59.00881 2.87741 2.27382 -59.18561 933.58184
3730.0000 -62.02060 -58.23791 3.78268 2.34341 -58.55935 955.58287
3735.0000 -62.40977 -59.64810 2.76167 2.29781 -58.96972 930.93397
3740.0000 -61.70570 -59.75722 1.94848 2.25450 -59.35948 854.36874
3745.0000 -62.88755 -59.82730 3.06025 2.16322 -60.18102 757.42273
3750.0000 -62.31887 -58.99175 3.32712 2.22428 -59.63144 858.27594
FREEZING PROCESS: loop number 16 T-loop= 868.00000000000000
main_MD> interactions number 16 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.04504 -0.30787 4.76970
force_rgl> df(natom) -1.69464 -3.54732 -1.01658
3755.0000 -61.47646 -58.39385 3.08261 2.26459 -59.26866 892.30015
3760.0000 -61.46314 -58.90403 2.55911 2.37183 -58.30352 940.12453
3765.0000 -61.93506 -58.55191 3.38315 2.27625 -59.16373 928.71746
3770.0000 -61.96246 -59.13763 2.82483 2.31319 -58.83132 964.92510
3775.0000 -62.43653 -59.52831 2.90821 2.24775 -59.42027 859.31888
3780.0000 -62.38674 -59.21933 3.16740 2.23053 -59.57523 908.21065
3785.0000 -62.42576 -58.94214 3.48362 2.29296 -59.01336 927.97237
3790.0000 -62.60956 -59.54923 3.06034 2.23297 -59.55327 864.21327
3795.0000 -62.57854 -59.41807 3.16047 2.23079 -59.57291 847.30931
3800.0000 -62.24844 -58.27561 3.97283 2.30664 -58.89027 903.48734
3805.0000 -61.75878 -57.71162 4.04716 2.40254 -58.02717 997.60215
3810.0000 -62.13844 -59.42674 2.71171 2.34964 -58.50326 982.19459
3815.0000 -63.92683 -61.17213 2.75469 2.14516 -60.34359 767.40479
3820.0000 -62.64128 -60.37590 2.26538 2.14403 -60.35372 803.23129
3825.0000 -63.05679 -60.25043 2.80636 2.15346 -60.26888 824.54436
3830.0000 -62.89576 -60.01824 2.87751 2.12338 -60.53960 708.28005
3835.0000 -63.36661 -60.10379 3.26281 2.18039 -60.02645 825.11959
3840.0000 -62.63560 -59.86003 2.77557 2.23304 -59.55260 886.42617
3845.0000 -62.05686 -59.31378 2.74308 2.25675 -59.33923 876.14184
3850.0000 -62.75120 -59.25915 3.49204 2.24424 -59.45188 938.52437
3855.0000 -62.70362 -59.75383 2.94979 2.19634 -59.88295 849.60601
3860.0000 -61.85982 -58.66594 3.19389 2.26572 -59.25856 874.18190
3865.0000 -62.02675 -58.93284 3.09391 2.25693 -59.33763 849.31540
3870.0000 -62.31573 -58.31082 4.00492 2.29478 -58.99700 914.74951
3875.0000 -61.94468 -59.35176 2.59292 2.32443 -58.73015 934.18941
3880.0000 -62.57683 -59.28212 3.29471 2.22834 -59.59493 894.40527
3885.0000 -62.78510 -59.24386 3.54124 2.30163 -58.93534 961.31885
3890.0000 -62.40837 -59.47992 2.92845 2.27449 -59.17955 845.37084
3895.0000 -62.61870 -59.42744 3.19125 2.21427 -59.72160 816.29039
3900.0000 -62.41505 -59.35045 3.06460 2.29404 -59.00367 891.20604
3905.0000 -62.57508 -59.93402 2.64105 2.18954 -59.94410 822.71638
3910.0000 -63.67064 -61.19110 2.47954 2.15917 -60.21751 813.38370
3915.0000 -63.69119 -60.71350 2.97769 2.05556 -61.14999 724.25896
3920.0000 -62.90499 -59.80023 3.10475 2.14714 -60.32573 750.13921
3925.0000 -62.45067 -58.55972 3.89095 2.23841 -59.50430 877.95716
3930.0000 -62.30104 -59.59129 2.70974 2.25542 -59.35120 874.10442
3935.0000 -62.39662 -59.11549 3.28112 2.25927 -59.31658 833.61606
3940.0000 -63.03272 -60.01266 3.02006 2.25726 -59.33466 902.54131
3945.0000 -63.43704 -59.65411 3.78293 2.17978 -60.03202 810.44449
3950.0000 -62.28454 -60.11210 2.17244 2.16933 -60.12599 784.74438
3955.0000 -62.63301 -59.30030 3.33271 2.21555 -59.71001 831.73308
3960.0000 -61.08642 -57.89945 3.18696 2.39559 -58.08966 987.00754
3965.0000 -62.73507 -58.38390 4.35117 2.40663 -57.99035 1012.00332
3970.0000 -62.70061 -60.03378 2.66683 2.27818 -59.14636 906.25118
3975.0000 -61.96304 -58.97632 2.98672 2.22045 -59.66599 831.39359
3980.0000 -61.38775 -58.73281 2.65494 2.29561 -58.98948 905.07001
3985.0000 -61.70942 -58.53059 3.17883 2.41153 -57.94619 986.84666
3990.0000 -62.56501 -58.69489 3.87013 2.34210 -58.57112 955.52213
3995.0000 -62.01883 -59.19561 2.82322 2.33787 -58.60917 931.73494
4000.0000 -62.96293 -59.13501 3.82792 2.28215 -59.11064 862.48510
FREEZING PROCESS: loop number 17 T-loop= 843.00000000000000
main_MD> interactions number 17 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74599 2.92417 0.96962
force_rgl> df(natom) -0.08354 -4.66451 -1.83399
4005.0000 -62.38315 -59.72212 2.66103 2.26230 -59.28929 859.02065
4010.0000 -62.22630 -59.71357 2.51273 2.29212 -59.02096 854.28556
4015.0000 -62.57234 -59.88225 2.69010 2.20831 -59.77522 827.86932
4020.0000 -63.10886 -60.50792 2.60094 2.17168 -60.10486 766.54741
4025.0000 -61.87755 -59.23976 2.63779 2.18305 -60.00256 849.59470
4030.0000 -63.08573 -60.58721 2.49852 2.19742 -59.87320 840.30767
4035.0000 -63.36493 -60.74837 2.61656 2.13009 -60.47918 740.42340
4040.0000 -63.63343 -61.12442 2.50901 2.07568 -60.96886 712.49313
4045.0000 -62.93988 -60.12919 2.81068 2.06239 -61.08850 703.29180
4050.0000 -63.02856 -60.19393 2.83463 2.16323 -60.18091 820.19366
4055.0000 -63.51637 -59.59260 3.92377 2.19267 -59.91601 822.82434
4060.0000 -62.40378 -59.07187 3.33191 2.26028 -59.30744 893.10114
4065.0000 -61.75356 -58.84353 2.91003 2.31065 -58.85412 979.16115
4070.0000 -62.92886 -60.68856 2.24030 2.20644 -59.79203 800.86564
4075.0000 -63.05802 -59.98462 3.07340 2.20198 -59.83220 793.03980
4080.0000 -63.36194 -59.69983 3.66211 2.20106 -59.84047 851.02116
4085.0000 -62.56736 -60.07767 2.48969 2.25162 -59.38546 903.30007
4090.0000 -63.39280 -60.34599 3.04682 2.10536 -60.70179 721.56118
4095.0000 -62.44457 -59.74892 2.69565 2.17960 -60.03362 810.15796
4100.0000 -62.96861 -59.61937 3.34924 2.21658 -59.70075 825.26123
4105.0000 -62.40349 -60.14870 2.25479 2.15295 -60.27341 796.88608
4110.0000 -62.91749 -59.90012 3.01737 2.16587 -60.15718 789.39676
4115.0000 -61.29578 -58.70903 2.58675 2.26124 -59.29888 948.59510
4120.0000 -61.44868 -58.02903 3.41965 2.42727 -57.80454 1062.57130
4125.0000 -62.33967 -59.24388 3.09579 2.36261 -58.38652 975.81381
4130.0000 -61.72615 -59.29386 2.43229 2.33362 -58.64741 957.22654
4135.0000 -61.56479 -58.82595 2.73884 2.30630 -58.89334 959.11048
4140.0000 -62.76744 -59.00883 3.75861 2.33005 -58.67955 934.44639
4145.0000 -63.17550 -60.29876 2.87673 2.17896 -60.03933 808.90557
4150.0000 -62.40856 -59.49783 2.91073 2.13118 -60.46940 802.72787
4155.0000 -62.61602 -60.78148 1.83454 2.20027 -59.84756 807.35263
4160.0000 -62.66635 -60.26574 2.40061 2.14149 -60.37661 707.26919
4165.0000 -62.50356 -59.64444 2.85912 2.19230 -59.91934 814.42985
4170.0000 -63.91026 -60.32440 3.58587 2.20199 -59.83209 871.64207
4175.0000 -63.43971 -60.90596 2.53375 2.10228 -60.72945 790.23742
4180.0000 -62.59187 -60.39044 2.20144 2.15975 -60.21226 792.90465
4185.0000 -62.36608 -58.82426 3.54182 2.27138 -59.20760 870.68354
4190.0000 -61.71950 -58.47383 3.24567 2.34711 -58.52603 921.97967
4195.0000 -62.68568 -58.65088 4.03480 2.32663 -58.71030 911.14487
4200.0000 -63.43115 -60.68565 2.74549 2.20309 -59.82217 838.33105
4205.0000 -62.05618 -59.95963 2.09656 2.13186 -60.46322 796.99488
4210.0000 -63.78882 -59.46563 4.32318 2.24812 -59.41694 904.54364
4215.0000 -62.23727 -59.21977 3.01750 2.20339 -59.81946 793.35754
4220.0000 -63.37658 -60.41189 2.96469 2.20121 -59.83907 842.63387
4225.0000 -62.92342 -59.93160 2.99182 2.16368 -60.17689 791.50514
4230.0000 -63.06909 -60.10850 2.96059 2.18939 -59.94547 764.78953
4235.0000 -61.68095 -58.83441 2.84654 2.26109 -59.30019 885.57406
4240.0000 -62.69058 -59.46089 3.22969 2.31460 -58.81863 945.88514
4245.0000 -62.87582 -59.01935 3.85646 2.32591 -58.71679 991.20345
4250.0000 -61.98789 -59.14635 2.84154 2.33898 -58.59915 962.64334
FREEZING PROCESS: loop number 18 T-loop= 818.00000000000000
main_MD> interactions number 18 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49609 -1.16201 3.82667
force_rgl> df(natom) -1.37723 -1.75040 -0.51052
4255.0000 -63.31190 -59.55682 3.75508 2.22825 -59.59573 881.40653
4260.0000 -62.97748 -60.12337 2.85411 2.19126 -59.92864 874.97493
4265.0000 -63.52605 -60.53443 2.99161 2.15253 -60.27724 809.46769
4270.0000 -63.74801 -59.76169 3.98632 2.19913 -59.85782 855.34693
4275.0000 -62.59377 -59.40570 3.18806 2.23859 -59.50266 856.61629
4280.0000 -62.85536 -58.40820 4.44716 2.27914 -59.13776 903.14954
4285.0000 -61.27535 -58.66391 2.61144 2.37207 -58.30139 946.36604
4290.0000 -63.24910 -59.37035 3.87875 2.32347 -58.73879 920.54249
4295.0000 -62.20134 -59.39743 2.80391 2.20548 -59.80072 835.21477
4300.0000 -63.48039 -61.18337 2.29702 2.17333 -60.09000 821.70719
4305.0000 -63.46963 -60.21846 3.25117 2.12795 -60.49843 780.62025
4310.0000 -63.18731 -60.91886 2.26845 2.11709 -60.59620 750.55831
4315.0000 -63.02859 -60.44341 2.58517 2.10423 -60.71196 755.99373
4320.0000 -62.68302 -59.64634 3.03668 2.13756 -60.41194 809.07201
4325.0000 -62.36771 -59.71096 2.65676 2.19198 -59.92220 831.31996
4330.0000 -63.26619 -60.42850 2.83768 2.13994 -60.39057 833.59302
4335.0000 -62.14516 -58.72674 3.41841 2.22713 -59.60586 873.93859
4340.0000 -61.84840 -58.99397 2.85443 2.36655 -58.35107 955.92431
4345.0000 -62.57756 -58.76543 3.81212 2.33917 -58.59750 974.11401
4350.0000 -60.77551 -57.61567 3.15984 2.41154 -57.94615 986.58256
4355.0000 -62.35209 -59.28788 3.06421 2.37416 -58.28260 1000.47970
4360.0000 -63.06356 -60.33559 2.72796 2.18156 -60.01597 833.39924
4365.0000 -64.10102 -61.24021 2.86081 2.06489 -61.06598 719.56614
4370.0000 -62.72770 -61.08231 1.64539 2.12006 -60.56949 795.64923
4375.0000 -63.28315 -60.73220 2.55095 2.10191 -60.73282 722.36705
4380.0000 -61.97828 -59.04476 2.93351 2.21875 -59.68121 858.98361
4385.0000 -62.42047 -59.18352 3.23695 2.31273 -58.83544 899.35507
4390.0000 -61.95642 -58.31078 3.64564 2.30220 -58.93022 908.36173
4395.0000 -61.91651 -58.94546 2.97104 2.35832 -58.42512 914.46573
4400.0000 -61.75173 -59.63478 2.11695 2.26357 -59.27790 913.06324
4405.0000 -62.76166 -59.59436 3.16730 2.22090 -59.66186 793.55252
4410.0000 -61.90732 -58.84145 3.06587 2.22632 -59.61314 874.65846
4415.0000 -61.73241 -58.21432 3.51809 2.34847 -58.51377 928.69574
4420.0000 -61.99778 -59.47722 2.52055 2.35905 -58.41851 974.90062
4425.0000 -62.48115 -60.10945 2.37171 2.19280 -59.91483 777.07970
4430.0000 -62.83141 -59.62601 3.20540 2.21948 -59.67472 847.12263
4435.0000 -62.51088 -60.07663 2.43425 2.15585 -60.24738 813.09351
4440.0000 -62.73217 -59.71096 3.02121 2.21433 -59.72106 869.36427
4445.0000 -63.11046 -60.18784 2.92262 2.21121 -59.74915 789.84273
4450.0000 -63.45379 -60.63388 2.81990 2.15039 -60.29651 787.06432
4455.0000 -63.81467 -61.21056 2.60411 2.06042 -61.10625 692.78329
4460.0000 -63.48997 -60.12651 3.36346 2.07085 -61.01234 766.73129
4465.0000 -62.87251 -59.80594 3.06657 2.16770 -60.14067 834.38842
4470.0000 -62.61774 -60.07476 2.54298 2.24238 -59.46859 852.60073
4475.0000 -63.24063 -60.81692 2.42371 2.17837 -60.04463 776.38048
4480.0000 -62.98430 -59.92668 3.05761 2.15682 -60.23861 754.90531
4485.0000 -62.45511 -60.20628 2.24883 2.14660 -60.33056 819.23698
4490.0000 -63.37767 -61.11406 2.26361 2.10447 -60.70977 757.06221
4495.0000 -63.22995 -60.26048 2.96947 2.17860 -60.04260 785.81620
4500.0000 -63.52200 -59.90271 3.61929 2.23432 -59.54111 862.50772
FREEZING PROCESS: loop number 19 T-loop= 793.00000000000000
main_MD> interactions number 19 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54983 0.50756 2.40710
force_rgl> df(natom) 1.78724 1.24330 -0.99603
4505.0000 -63.07719 -59.64612 3.43107 2.16495 -60.16541 768.97637
4510.0000 -62.92310 -60.12144 2.80165 2.18942 -59.94520 796.86073
4515.0000 -63.74319 -61.11145 2.63174 2.12956 -60.48399 736.09491
4520.0000 -62.46341 -59.76508 2.69833 2.14067 -60.38396 760.79351
4525.0000 -62.71357 -60.19616 2.51742 2.14722 -60.32505 752.92760
4530.0000 -62.91726 -59.71707 3.20019 2.16790 -60.13894 801.54373
4535.0000 -63.03233 -59.63709 3.39524 2.19711 -59.87599 843.61114
4540.0000 -62.09337 -58.66444 3.42893 2.26216 -59.29053 916.96554
4545.0000 -62.87429 -59.88980 2.98449 2.26636 -59.25274 892.55867
4550.0000 -62.19122 -60.12397 2.06725 2.15034 -60.29696 774.89569
4555.0000 -63.15275 -60.25559 2.89715 2.10896 -60.66936 738.13221
4560.0000 -62.57897 -59.31878 3.26019 2.20766 -59.78105 819.95288
4565.0000 -63.07506 -60.28895 2.78611 2.19820 -59.86620 856.87951
4570.0000 -62.78625 -58.75370 4.03255 2.25680 -59.33877 900.38343
4575.0000 -62.23900 -59.54685 2.69215 2.25260 -59.37664 854.90353
4580.0000 -62.39408 -59.70273 2.69136 2.20227 -59.82955 839.10083
4585.0000 -62.03766 -59.52112 2.51654 2.16408 -60.17327 779.40777
4590.0000 -63.47689 -60.07515 3.40175 2.18867 -59.95196 798.77556
4595.0000 -62.14772 -59.37005 2.77767 2.22836 -59.59476 837.44668
4600.0000 -63.17207 -60.40553 2.76654 2.23806 -59.50744 857.38545
4605.0000 -63.30558 -60.88995 2.41564 2.07307 -60.99241 689.37668
4610.0000 -64.01525 -61.96416 2.05108 2.08733 -60.86405 735.27915
4615.0000 -62.91783 -60.12953 2.78830 2.05047 -61.19575 737.60901
4620.0000 -62.87376 -60.89425 1.97951 2.14764 -60.32121 797.53018
4625.0000 -62.79303 -60.03023 2.76279 2.13666 -60.42004 769.72343
4630.0000 -63.44218 -60.39082 3.05135 2.18204 -60.01165 818.63231
4635.0000 -63.79768 -61.38835 2.40933 2.06932 -61.02608 736.08123
4640.0000 -62.79977 -60.92442 1.87536 2.04875 -61.21127 681.84371
4645.0000 -63.39757 -60.95568 2.44189 2.14519 -60.34325 738.76692
4650.0000 -63.69428 -60.45452 3.23975 2.08278 -60.90501 672.90377
4655.0000 -63.94950 -61.55639 2.39311 2.03674 -61.31935 724.04836
4660.0000 -64.40369 -60.96170 3.44199 2.04232 -61.26913 748.16407
4665.0000 -63.05483 -60.31494 2.73990 2.16309 -60.18218 812.91316
4670.0000 -62.92201 -59.82407 3.09794 2.16055 -60.20505 787.15386
4675.0000 -63.11315 -61.50875 1.60440 2.11002 -60.65986 752.77711
4680.0000 -62.88616 -60.39651 2.48965 2.09591 -60.78685 731.75155
4685.0000 -63.17697 -59.85447 3.32250 2.15611 -60.24500 791.23990
4690.0000 -62.53994 -59.37421 3.16573 2.23062 -59.57439 823.31021
4695.0000 -62.03179 -59.37942 2.65237 2.27115 -59.20966 870.75176
4700.0000 -62.55251 -59.63986 2.91265 2.29121 -59.02908 926.68567
4705.0000 -61.84906 -58.91862 2.93044 2.29306 -59.01243 884.47891
4710.0000 -62.48911 -60.10188 2.38723 2.22729 -59.60436 791.96661
4715.0000 -62.95027 -59.84116 3.10911 2.17916 -60.03758 802.60231
4720.0000 -62.83991 -60.02620 2.81371 2.13008 -60.47927 759.27156
4725.0000 -62.59322 -60.01335 2.57987 2.19700 -59.87700 832.40810
4730.0000 -63.98469 -61.53302 2.45167 2.08240 -60.90840 751.83360
4735.0000 -63.54694 -61.33344 2.21349 2.02572 -61.41852 687.72073
4740.0000 -61.51849 -58.51335 3.00514 2.19350 -59.90846 834.10046
4745.0000 -62.42374 -58.61456 3.80918 2.34638 -58.53262 944.87403
4750.0000 -62.60753 -59.10429 3.50324 2.29580 -58.98776 952.82126
FREEZING PROCESS: loop number 20 T-loop= 768.00000000000000
main_MD> interactions number 20 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.62067 -1.96247 3.01651
force_rgl> df(natom) 0.14603 -3.26314 1.67106
4755.0000 -61.82351 -59.11508 2.70843 2.24828 -59.41549 868.06639
4760.0000 -63.06158 -60.90537 2.15621 2.17970 -60.03267 811.08383
4765.0000 -63.90485 -61.36102 2.54383 2.08647 -60.87173 695.96102
4770.0000 -63.56527 -60.44082 3.12446 2.09850 -60.76348 771.36758
4775.0000 -63.11714 -60.36171 2.75543 2.12966 -60.48303 730.69392
4780.0000 -62.69582 -60.27901 2.41681 2.19814 -59.86673 835.74787
4785.0000 -62.68367 -59.84068 2.84299 2.15887 -60.22021 820.34768
4790.0000 -63.20025 -59.63202 3.56824 2.22536 -59.62179 781.99125
4795.0000 -63.24480 -61.04749 2.19730 2.15610 -60.24514 745.70971
4800.0000 -63.38009 -60.69736 2.68273 2.07197 -61.00230 696.06728
4805.0000 -64.40488 -62.15971 2.24517 2.05573 -61.14839 737.55346
4810.0000 -63.97998 -62.16885 1.81112 1.96960 -61.92361 619.76343
4815.0000 -63.81755 -61.16681 2.65074 2.01934 -61.47598 659.54183
4820.0000 -63.25366 -60.11169 3.14197 2.06965 -61.02319 724.33087
4825.0000 -62.24324 -58.55582 3.68742 2.24853 -59.41321 877.43346
4830.0000 -63.70508 -60.95857 2.74650 2.17099 -60.11113 782.59901
4835.0000 -63.70479 -61.68189 2.02289 2.10026 -60.74766 738.81227
4840.0000 -64.14187 -62.13132 2.01055 1.99512 -61.69391 636.89942
4845.0000 -64.12562 -61.73701 2.38860 2.00887 -61.57015 663.23842
4850.0000 -64.81535 -62.07489 2.74046 1.92695 -62.30743 571.99265
4855.0000 -63.98074 -61.91034 2.07040 2.01067 -61.55397 679.02893
4860.0000 -64.30454 -61.61742 2.68712 2.00710 -61.58614 669.40572
4865.0000 -63.80692 -60.78038 3.02654 2.01376 -61.52614 668.57144
4870.0000 -62.70826 -60.38704 2.32122 2.11548 -60.61065 740.99786
4875.0000 -62.72839 -59.92720 2.80119 2.14462 -60.34838 757.64930
4880.0000 -62.55606 -60.65854 1.89752 2.15127 -60.28857 736.76774
4885.0000 -63.16944 -60.70686 2.46258 2.12946 -60.48489 704.21993
4890.0000 -64.26614 -62.31787 1.94827 2.00608 -61.59528 670.16225
4895.0000 -63.91115 -61.51743 2.39372 1.98276 -61.80514 636.24640
4900.0000 -64.07543 -61.05223 3.02320 2.02335 -61.43984 668.10185
4905.0000 -64.06450 -61.16499 2.89951 2.03772 -61.31048 668.60586
4910.0000 -64.11928 -61.54868 2.57061 2.01535 -61.51188 654.30226
4915.0000 -62.68911 -59.78072 2.90838 2.10217 -60.73050 745.52287
4920.0000 -63.33282 -61.18506 2.14776 2.10924 -60.66684 762.69623
4925.0000 -64.86057 -63.03826 1.82231 1.91195 -62.44248 558.55916
4930.0000 -63.94548 -61.78169 2.16379 1.88041 -62.72633 532.22128
4935.0000 -63.66387 -61.35878 2.30509 1.99338 -61.70960 652.23548
4940.0000 -63.62519 -60.72791 2.89728 2.10216 -60.73057 717.35950
4945.0000 -63.14658 -60.50746 2.63912 2.11011 -60.65897 801.39132
4950.0000 -62.89356 -60.73448 2.15908 2.10355 -60.71803 748.98466
4955.0000 -62.08614 -58.75533 3.33080 2.24725 -59.42474 869.46757
4960.0000 -63.53429 -60.09862 3.43567 2.32218 -58.75039 919.77544
4965.0000 -63.65812 -60.29815 3.35997 2.15328 -60.27050 830.49272
4970.0000 -63.54779 -60.37664 3.17115 2.06180 -61.09376 743.24037
4975.0000 -63.74552 -61.26402 2.48150 2.12245 -60.54796 790.25152
4980.0000 -62.39076 -59.70139 2.68937 2.12345 -60.53897 823.16633
4985.0000 -63.08725 -60.53502 2.55222 2.16034 -60.20691 820.70847
4990.0000 -63.56194 -60.82962 2.73233 2.11274 -60.63536 787.66421
4995.0000 -63.01391 -60.79654 2.21738 2.07349 -60.98857 686.50770
5000.0000 -62.69252 -60.28907 2.40345 2.15351 -60.26840 768.22639
FREEZING PROCESS: loop number 21 T-loop= 743.00000000000000
main_MD> interactions number 21 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34359 1.28664 0.72309
force_rgl> df(natom) 8.49735 -5.32902 9.71443
5005.0000 -63.50907 -61.31881 2.19026 2.14967 -60.30298 765.36985
5010.0000 -63.36052 -60.77898 2.58154 2.10646 -60.69182 723.68651
5015.0000 -63.49698 -60.84447 2.65251 2.10573 -60.69845 697.14448
5020.0000 -63.19983 -60.57553 2.62429 2.12773 -60.50041 766.27997
5025.0000 -62.27114 -59.74179 2.52935 2.13847 -60.40377 800.78871
5030.0000 -62.53540 -59.52070 3.01470 2.22089 -59.66200 851.72930
5035.0000 -62.29845 -60.35803 1.94042 2.17731 -60.05423 754.71735
5040.0000 -62.48080 -60.34166 2.13914 2.18880 -59.95076 762.38027
5045.0000 -62.60162 -59.66917 2.93245 2.22589 -59.61697 814.36055
5050.0000 -61.55123 -58.72895 2.82228 2.24729 -59.42440 845.83350
5055.0000 -61.54411 -58.73912 2.80499 2.35633 -58.44302 958.78462
5060.0000 -63.18796 -60.27182 2.91614 2.24461 -59.44850 850.81141
5065.0000 -63.93658 -60.15047 3.78611 2.11553 -60.61024 786.30368
5070.0000 -63.29225 -60.61722 2.67502 2.12200 -60.55204 738.00544
5075.0000 -62.69130 -60.57018 2.12112 2.05124 -61.18888 634.03495
5080.0000 -62.43411 -59.41282 3.02130 2.19740 -59.87336 757.85344
5085.0000 -62.28887 -58.94996 3.33891 2.30686 -58.88828 963.84006
5090.0000 -62.56534 -60.03875 2.52659 2.24022 -59.48804 866.25597
5095.0000 -62.56899 -59.95498 2.61401 2.17783 -60.04957 814.31327
5100.0000 -62.35189 -59.16096 3.19093 2.21087 -59.75214 809.52715
5105.0000 -62.44773 -59.98893 2.45880 2.18082 -60.02261 784.58582
5110.0000 -62.52941 -58.87110 3.65831 2.25092 -59.39169 824.07831
5115.0000 -62.63879 -59.62223 3.01655 2.23238 -59.55857 845.88555
5120.0000 -63.71237 -60.63767 3.07469 2.14267 -60.36598 797.30938
5125.0000 -63.94601 -61.53271 2.41330 2.07029 -61.01739 744.97319
5130.0000 -63.85942 -61.35340 2.50602 2.01273 -61.53540 662.56849
5135.0000 -63.62018 -61.31159 2.30860 2.02747 -61.40274 640.60585
5140.0000 -63.95182 -61.00746 2.94436 2.05833 -61.12504 684.56530
5145.0000 -63.68178 -61.41149 2.27029 2.05837 -61.12471 725.65903
5150.0000 -63.94216 -62.19030 1.75187 1.93863 -62.20235 582.25027
5155.0000 -64.58108 -62.41356 2.16752 1.96923 -61.92689 628.72712
5160.0000 -62.67464 -60.34015 2.33449 2.01547 -61.51078 627.88499
5165.0000 -62.88796 -59.74956 3.13840 2.15589 -60.24702 774.11740
5170.0000 -62.74682 -60.06014 2.68667 2.20556 -59.79995 745.48998
5175.0000 -63.58115 -61.24452 2.33662 2.12762 -60.50141 712.17497
5180.0000 -63.78154 -61.36640 2.41513 2.08792 -60.85868 721.82507
5185.0000 -63.03623 -60.83616 2.20007 2.04398 -61.25414 701.52409
5190.0000 -63.38151 -60.29174 3.08977 2.05901 -61.11890 713.14733
5195.0000 -62.97027 -60.19923 2.77104 2.07732 -60.95412 675.47827
5200.0000 -63.76770 -60.68587 3.08183 2.14077 -60.38311 768.40142
5205.0000 -63.51243 -61.10988 2.40256 2.08404 -60.89368 759.77818
5210.0000 -63.10862 -59.67102 3.43760 2.15199 -60.28206 806.25972
5215.0000 -61.95863 -59.56550 2.39312 2.20810 -59.77710 868.16216
5220.0000 -63.20051 -61.33723 1.86328 2.12439 -60.53049 789.56017
5225.0000 -63.11788 -60.23287 2.88501 2.07629 -60.96340 715.40421
5230.0000 -63.55967 -60.84080 2.71887 2.11613 -60.60483 783.88033
5235.0000 -64.17700 -61.59511 2.58188 2.01020 -61.55817 645.54223
5240.0000 -63.81672 -61.89121 1.92551 2.00778 -61.57994 627.84017
5245.0000 -63.81018 -61.09961 2.71057 2.05796 -61.12834 701.80523
5250.0000 -63.49741 -60.68676 2.81065 2.08008 -60.92928 729.60842
FREEZING PROCESS: loop number 22 T-loop= 718.00000000000000
main_MD> interactions number 22 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91722 -0.54782 4.17204
force_rgl> df(natom) -0.99038 -2.53690 2.45764
5255.0000 -63.23294 -61.33278 1.90016 2.01897 -61.47931 670.09103
5260.0000 -63.92173 -61.61873 2.30299 2.03174 -61.36435 672.60427
5265.0000 -63.40757 -61.17278 2.23479 2.02311 -61.44198 673.81985
5270.0000 -63.08685 -60.77592 2.31092 2.06950 -61.02450 707.45898
5275.0000 -63.37142 -60.61553 2.75589 2.06088 -61.10204 646.49111
5280.0000 -63.04082 -60.87153 2.16929 2.05880 -61.12081 689.14673
5285.0000 -62.91248 -60.35384 2.55863 2.14992 -60.30069 731.35105
5290.0000 -62.56546 -60.02610 2.53936 2.21181 -59.74371 813.92075
5295.0000 -62.74953 -60.03775 2.71178 2.13892 -60.39969 789.51881
5300.0000 -62.78539 -60.46300 2.32238 2.16949 -60.12455 798.85237
5305.0000 -63.50284 -60.68838 2.81447 2.10525 -60.70275 722.93320
5310.0000 -62.66973 -60.68243 1.98730 2.14553 -60.34022 816.77824
5315.0000 -64.14223 -62.31552 1.82670 2.00578 -61.59802 634.40908
5320.0000 -63.91373 -60.96893 2.94480 1.99328 -61.71051 643.27541
5325.0000 -63.16985 -60.07293 3.09692 2.08629 -60.87340 707.46983
5330.0000 -62.71171 -59.91671 2.79500 2.20367 -59.81696 863.81199
5335.0000 -63.50233 -61.04224 2.46009 2.08657 -60.87083 737.23120
5340.0000 -63.81887 -60.95057 2.86830 2.05309 -61.17215 691.73411
5345.0000 -64.28858 -62.00293 2.28565 2.03873 -61.30145 711.26986
5350.0000 -63.82989 -61.85662 1.97327 1.96840 -61.93438 638.68807
5355.0000 -63.09028 -60.95911 2.13117 2.05524 -61.15287 726.27435
5360.0000 -63.39867 -60.77336 2.62531 2.05746 -61.13289 695.83079
5365.0000 -63.47044 -61.25036 2.22009 2.06342 -61.07921 696.64326
5370.0000 -63.75432 -61.46602 2.28831 2.02359 -61.43773 608.36701
5375.0000 -63.86012 -61.43800 2.42212 2.00394 -61.61451 657.62684
5380.0000 -63.66593 -60.86760 2.79834 2.07143 -61.00717 720.80244
5385.0000 -64.25833 -61.92106 2.33727 1.99314 -61.71173 660.48639
5390.0000 -63.70935 -61.41644 2.29290 2.03585 -61.32735 688.21030
5395.0000 -63.54062 -61.45706 2.08355 2.01639 -61.50250 671.48301
5400.0000 -63.04584 -60.72995 2.31589 2.06029 -61.10741 692.20051
5405.0000 -63.23491 -59.71365 3.52126 2.14766 -60.32102 787.50196
5410.0000 -63.09481 -60.36451 2.73031 2.15394 -60.26455 838.17357
5415.0000 -64.06076 -61.48884 2.57192 2.09435 -60.80087 761.44671
5420.0000 -63.91940 -61.59690 2.32249 2.01158 -61.54578 662.76924
5425.0000 -63.95090 -61.49498 2.45592 2.01420 -61.52220 654.76793
5430.0000 -63.56443 -61.37823 2.18620 2.03705 -61.31654 697.07888
5435.0000 -63.22131 -60.54829 2.67302 2.06078 -61.10299 691.20368
5440.0000 -62.32625 -59.00665 3.31960 2.16777 -60.14005 753.15490
5445.0000 -61.87434 -59.17349 2.70085 2.27945 -59.13498 949.68536
5450.0000 -62.27744 -60.23822 2.03923 2.21043 -59.75615 811.65259
5455.0000 -64.44095 -61.09703 3.34392 2.16079 -60.20286 811.36191
5460.0000 -64.23987 -61.99477 2.24510 2.01425 -61.52173 698.78463
5465.0000 -63.90126 -61.70464 2.19661 2.00057 -61.64483 687.68942
5470.0000 -62.30204 -59.99129 2.31074 2.08063 -60.92430 704.32497
5475.0000 -63.56474 -60.85772 2.70701 2.11431 -60.62122 743.20718
5480.0000 -63.14351 -61.08011 2.06341 2.04319 -61.26130 678.49143
5485.0000 -62.52849 -59.49795 3.03054 2.10068 -60.74392 703.89736
5490.0000 -63.48768 -60.81562 2.67206 2.14555 -60.34008 770.29448
5495.0000 -63.02680 -60.53030 2.49650 2.11476 -60.61714 723.11704
5500.0000 -63.80093 -61.64825 2.15268 2.07200 -61.00201 685.95797
FREEZING PROCESS: loop number 23 T-loop= 693.00000000000000
main_MD> interactions number 23 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31807 0.01907 2.56745
force_rgl> df(natom) -1.99340 -8.21488 7.09867
5505.0000 -63.82300 -61.34274 2.48026 2.04174 -61.27436 671.03672
5510.0000 -63.52230 -60.76228 2.76002 2.08483 -60.88649 699.79216
5515.0000 -63.59633 -60.94771 2.64862 2.07188 -61.00304 718.54468
5520.0000 -63.09813 -60.62571 2.47242 2.09912 -60.75792 722.53282
5525.0000 -63.98067 -61.59347 2.38720 2.01996 -61.47040 674.18913
5530.0000 -63.71728 -61.19517 2.52210 2.04262 -61.26645 690.06459
5535.0000 -63.95027 -61.41618 2.53409 1.99737 -61.67364 642.17829
5540.0000 -63.36634 -60.95070 2.41564 2.05528 -61.15251 657.70490
5545.0000 -63.17485 -60.83018 2.34467 2.06404 -61.07361 679.45821
5550.0000 -63.10650 -60.19639 2.91011 2.10503 -60.70475 751.96633
5555.0000 -62.90867 -60.13014 2.77853 2.13694 -60.41751 753.02815
5560.0000 -62.40891 -59.50356 2.90535 2.20046 -59.84583 796.19841
5565.0000 -63.39418 -60.54367 2.85050 2.08559 -60.87965 718.23492
5570.0000 -63.10240 -60.84819 2.25421 2.12520 -60.52320 745.25556
5575.0000 -63.54793 -60.94823 2.59970 2.10677 -60.68904 750.14023
5580.0000 -63.68857 -61.17413 2.51444 1.99960 -61.65359 656.83415
5585.0000 -64.32055 -61.76635 2.55421 2.01080 -61.55277 673.29758
5590.0000 -64.42304 -61.47467 2.94837 2.01264 -61.53628 658.78938
5595.0000 -63.45238 -61.33317 2.11921 2.01682 -61.49865 660.91885
5600.0000 -63.64006 -61.37746 2.26260 2.06122 -61.09902 700.89800
5605.0000 -62.69069 -60.31596 2.37472 2.12996 -60.48039 731.75698
5610.0000 -63.52305 -61.21586 2.30720 2.06065 -61.10414 691.30652
5615.0000 -62.91965 -60.17868 2.74098 2.07851 -60.94339 724.96528
5620.0000 -62.75574 -60.38104 2.37470 2.13960 -60.39357 750.87997
5625.0000 -63.19543 -60.45798 2.73745 2.11809 -60.58722 694.60639
5630.0000 -63.10765 -60.49591 2.61174 2.13740 -60.41340 788.11128
5635.0000 -63.15662 -59.74836 3.40825 2.20939 -59.76547 862.53503
5640.0000 -63.95010 -61.76652 2.18358 2.03600 -61.32597 680.40934
5645.0000 -62.93011 -60.76851 2.16160 2.06870 -61.03166 704.49339
5650.0000 -63.73259 -61.50308 2.22952 2.09121 -60.82913 753.25725
5655.0000 -64.18706 -61.56994 2.61711 1.98427 -61.79153 635.91303
5660.0000 -64.03564 -61.55341 2.48222 2.02667 -61.40994 655.75206
5665.0000 -63.51917 -60.45889 3.06028 2.06518 -61.06342 696.70737
5670.0000 -63.80156 -61.04008 2.76148 2.05959 -61.11368 686.33407
5675.0000 -63.61441 -60.63832 2.97609 2.05778 -61.13000 664.58432
5680.0000 -63.25023 -60.84473 2.40549 2.09157 -60.82587 708.28314
5685.0000 -63.66303 -61.13950 2.52353 2.08318 -60.90138 695.23186
5690.0000 -63.25694 -60.73620 2.52075 2.09253 -60.81720 680.81462
5695.0000 -63.22593 -60.75932 2.46661 2.07174 -61.00433 674.19099
5700.0000 -63.46768 -60.97322 2.49446 2.13968 -60.39288 792.74926
5705.0000 -63.67946 -60.58710 3.09236 2.12018 -60.56837 731.43965
5710.0000 -62.31420 -60.30145 2.01276 2.06465 -61.06814 641.50490
5715.0000 -63.45004 -60.74367 2.70636 2.13570 -60.42869 726.27181
5720.0000 -63.84722 -61.07544 2.77178 2.07319 -60.99126 673.31100
5725.0000 -63.49813 -60.72333 2.77480 2.09374 -60.80634 713.87292
5730.0000 -63.46804 -60.50088 2.96716 2.11094 -60.65156 754.52298
5735.0000 -62.93875 -60.71074 2.22800 2.09463 -60.79832 693.57402
5740.0000 -63.21951 -60.74557 2.47393 2.08326 -60.90065 674.85661
5745.0000 -63.30655 -61.21828 2.08828 2.06403 -61.07374 714.54762
5750.0000 -64.13871 -61.84918 2.28954 2.01978 -61.47202 675.51055
FREEZING PROCESS: loop number 24 T-loop= 668.00000000000000
main_MD> interactions number 24 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.20656 -1.51898 -0.95788
force_rgl> df(natom) -0.96640 2.21517 0.37004
5755.0000 -63.69817 -60.91063 2.78755 2.02428 -61.43151 644.91664
5760.0000 -64.00395 -61.43906 2.56489 2.08761 -60.86150 752.38791
5765.0000 -63.65166 -62.01770 1.63396 1.97084 -61.91246 605.50840
5770.0000 -63.92165 -61.87523 2.04642 1.99665 -61.68013 592.22469
5775.0000 -63.78115 -61.34144 2.43971 2.02102 -61.46080 666.20198
5780.0000 -62.53725 -60.62840 1.90885 2.03913 -61.29779 704.48523
5785.0000 -63.01924 -60.68302 2.33622 2.10400 -60.71396 737.70581
5790.0000 -63.05401 -60.37735 2.67666 2.12564 -60.51928 760.29863
5795.0000 -63.02372 -60.76065 2.26307 2.12813 -60.49687 749.28613
5800.0000 -63.06201 -60.99599 2.06603 2.07854 -60.94312 647.49599
5805.0000 -63.27241 -61.22044 2.05197 2.06262 -61.08645 699.85873
5810.0000 -63.78306 -60.92072 2.86234 2.07415 -60.98269 676.55351
5815.0000 -63.74621 -61.27173 2.47448 2.07211 -61.00102 719.79605
5820.0000 -63.82987 -61.43978 2.39009 2.01871 -61.48157 666.71794
5825.0000 -63.75089 -61.13716 2.61373 2.02865 -61.39216 643.22272
5830.0000 -64.41511 -62.30525 2.10986 1.98400 -61.79400 625.66033
5835.0000 -64.25165 -62.05957 2.19208 1.89851 -62.56345 557.48842
5840.0000 -63.62439 -61.42804 2.19636 1.98940 -61.74536 648.48346
5845.0000 -63.93105 -61.39295 2.53811 2.03435 -61.34087 679.32886
5850.0000 -63.52706 -60.46761 3.05945 2.06343 -61.07914 712.19321
5855.0000 -63.35619 -61.18474 2.17145 2.12684 -60.50847 781.06275
5860.0000 -64.60908 -61.59851 3.01057 2.02891 -61.38985 675.93527
5865.0000 -63.99898 -62.15447 1.84451 2.00089 -61.64198 638.00408
5870.0000 -63.42146 -60.79830 2.62316 2.04532 -61.24213 676.58278
5875.0000 -63.47578 -61.76996 1.70582 2.04324 -61.26080 665.59646
5880.0000 -64.02828 -61.85130 2.17698 2.00097 -61.64126 636.07788
5885.0000 -63.68231 -61.49741 2.18490 1.99965 -61.65318 669.78915
5890.0000 -63.39128 -60.73088 2.66040 2.04321 -61.26113 674.97854
5895.0000 -63.45158 -60.76971 2.68187 2.10437 -60.71064 713.95154
5900.0000 -63.13883 -60.36028 2.77855 2.14957 -60.30388 724.17696
5905.0000 -62.64286 -60.57258 2.07028 2.17029 -60.11743 809.24794
5910.0000 -63.42623 -60.77627 2.64996 2.11888 -60.58007 787.50376
5915.0000 -63.64087 -60.76654 2.87432 2.08463 -60.88834 695.96404
5920.0000 -63.04468 -61.04508 1.99959 2.07234 -60.99896 645.20150
5925.0000 -63.41339 -60.89105 2.52234 2.10735 -60.68382 727.34392
5930.0000 -64.02298 -62.19890 1.82408 2.01948 -61.47469 662.33122
5935.0000 -64.49623 -62.66805 1.82818 1.90730 -62.48427 545.77793
5940.0000 -64.14182 -61.83813 2.30369 1.98599 -61.77608 648.28330
5945.0000 -63.03299 -60.63002 2.40297 2.07752 -60.95229 714.92985
5950.0000 -63.56777 -61.12006 2.44771 2.06393 -61.07467 682.55068
5955.0000 -64.07748 -61.79506 2.28242 2.04211 -61.27105 678.26126
5960.0000 -64.03264 -61.29597 2.73667 2.01530 -61.51227 652.08938
5965.0000 -64.00406 -61.77040 2.23366 1.94819 -62.11631 601.01586
5970.0000 -64.36904 -62.09087 2.27817 1.99139 -61.72745 638.08266
5975.0000 -64.08173 -62.38710 1.69463 1.95624 -62.04383 626.41364
5980.0000 -64.08804 -61.90885 2.17919 1.93920 -62.19719 602.92611
5985.0000 -63.91902 -62.15320 1.76581 1.95187 -62.08317 603.34816
5990.0000 -64.58352 -62.20402 2.37951 1.88538 -62.68159 527.94530
5995.0000 -64.05067 -61.53587 2.51480 1.97675 -61.85922 626.88490
6000.0000 -64.07692 -61.11735 2.95957 2.01510 -61.51410 650.31389
FREEZING PROCESS: loop number 25 T-loop= 643.00000000000000
main_MD> interactions number 25 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59777 -3.00400 0.61420
force_rgl> df(natom) -0.12862 -2.53869 1.06950
6005.0000 -63.72447 -61.71890 2.00557 2.01436 -61.52072 647.35922
6010.0000 -63.82984 -61.44873 2.38112 2.03096 -61.37133 669.03014
6015.0000 -63.95852 -62.17022 1.78830 1.96371 -61.97662 603.13103
6020.0000 -64.40771 -62.56665 1.84106 1.92921 -62.28715 541.21859
6025.0000 -64.24608 -61.86045 2.38563 1.89563 -62.58929 565.94698
6030.0000 -64.29666 -62.20851 2.08814 1.94847 -62.11375 601.29466
6035.0000 -64.48158 -62.70180 1.77978 1.91872 -62.38151 564.69581
6040.0000 -64.67103 -62.48762 2.18342 1.89820 -62.56621 563.55338
6045.0000 -64.58383 -61.54910 3.03474 1.92234 -62.34892 576.47606
6050.0000 -64.72530 -62.68039 2.04491 1.98538 -61.78159 668.62816
6055.0000 -64.18818 -62.41868 1.76950 1.92509 -62.32416 564.58265
6060.0000 -64.61162 -62.92890 1.68272 1.96630 -61.95334 611.54142
6065.0000 -64.62044 -62.88804 1.73240 1.81076 -63.35316 472.90189
6070.0000 -64.38529 -62.45600 1.92930 1.88236 -62.70880 540.81720
6075.0000 -63.61376 -61.37788 2.23589 2.01783 -61.48950 625.57994
6080.0000 -63.04094 -59.99567 3.04527 2.09446 -60.79983 718.24627
6085.0000 -64.43378 -62.24682 2.18696 2.08846 -60.85390 697.21484
6090.0000 -63.37087 -61.13120 2.23968 2.01548 -61.51068 627.40295
6095.0000 -63.19841 -61.17960 2.01881 2.06557 -61.05988 665.39474
6100.0000 -63.63726 -61.40309 2.23417 2.06167 -61.09498 669.32180
6105.0000 -63.94292 -62.06963 1.87330 1.98358 -61.79777 609.84231
6110.0000 -64.12928 -61.70858 2.42070 1.93236 -62.25874 587.79258
6115.0000 -63.71160 -60.81870 2.89290 2.04288 -61.26411 675.92272
6120.0000 -64.47694 -61.91613 2.56081 2.04336 -61.25979 694.46023
6125.0000 -63.90779 -61.87762 2.03017 1.96187 -61.99316 617.22999
6130.0000 -63.64379 -61.47960 2.16419 1.98449 -61.78959 614.67752
6135.0000 -64.09321 -61.86536 2.22784 2.04346 -61.25883 698.72323
6140.0000 -64.22264 -61.99061 2.23203 1.98660 -61.77058 605.20217
6145.0000 -64.40648 -62.68627 1.72021 1.87880 -62.74083 558.90339
6150.0000 -63.47185 -60.74885 2.72300 1.98238 -61.80859 637.05589
6155.0000 -63.99445 -61.59755 2.39690 2.05370 -61.16673 699.26707
6160.0000 -63.27634 -61.57017 1.70617 1.96784 -61.93944 607.34491
6165.0000 -63.94890 -61.74308 2.20583 2.05026 -61.19770 708.44118
6170.0000 -64.34042 -62.17386 2.16656 1.94832 -62.11516 587.54566
6175.0000 -64.27225 -62.33442 1.93783 1.94686 -62.12822 631.96479
6180.0000 -64.36073 -62.44262 1.91811 1.92186 -62.35323 605.57490
6185.0000 -64.37743 -61.77519 2.60224 1.96649 -61.95163 646.68152
6190.0000 -63.79023 -62.29010 1.50013 1.98642 -61.77225 640.77663
6195.0000 -64.22696 -62.20302 2.02393 1.95552 -62.05033 630.75438
6200.0000 -64.38020 -62.26552 2.11468 1.89785 -62.56937 565.82657
6205.0000 -64.11949 -61.93801 2.18148 1.95340 -62.06937 580.77189
6210.0000 -64.06557 -62.44633 1.61924 1.93103 -62.27075 562.14908
6215.0000 -63.60086 -61.40724 2.19362 1.94096 -62.18138 569.18664
6220.0000 -64.32750 -62.31952 2.00798 1.96509 -61.96421 611.59461
6225.0000 -64.34397 -62.08943 2.25454 1.92361 -62.33754 568.89444
6230.0000 -64.47012 -61.30275 3.16738 1.95477 -62.05704 628.93751
6235.0000 -64.60731 -62.19898 2.40833 1.98156 -61.81595 613.07811
6240.0000 -64.86674 -62.95477 1.91197 1.89649 -62.58159 557.53996
6245.0000 -64.91150 -62.77428 2.13722 1.83997 -63.09024 503.44822
6250.0000 -64.33605 -61.96033 2.37571 1.95244 -62.07807 628.11672
FREEZING PROCESS: loop number 26 T-loop= 618.00000000000000
main_MD> interactions number 26 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60978 -2.75898 -2.25229
force_rgl> df(natom) -1.01189 -2.17058 2.19697
6255.0000 -64.17676 -61.73284 2.44392 1.97601 -61.86594 630.84920
6260.0000 -63.76452 -61.74291 2.02161 1.95071 -62.09359 612.67175
6265.0000 -62.94446 -61.17954 1.76492 1.99067 -61.73398 629.89428
6270.0000 -63.86849 -61.39654 2.47195 2.04688 -61.22804 690.29776
6275.0000 -63.65560 -61.32934 2.32626 2.06857 -61.03289 710.79803
6280.0000 -63.59452 -61.07869 2.51583 2.02103 -61.46076 663.73946
6285.0000 -63.72314 -61.19019 2.53295 2.06915 -61.02769 653.86524
6290.0000 -63.59216 -61.75907 1.83309 2.00264 -61.62624 666.61989
6295.0000 -63.87722 -61.43129 2.44592 1.98957 -61.74388 609.24943
6300.0000 -63.66997 -61.17322 2.49675 2.02161 -61.45551 687.29753
6305.0000 -64.15778 -61.84879 2.30899 2.03628 -61.32350 687.07239
6310.0000 -63.71221 -61.72617 1.98604 1.99249 -61.71757 614.95625
6315.0000 -63.43591 -61.20840 2.22751 2.01266 -61.53604 626.03596
6320.0000 -63.68447 -61.51588 2.16859 2.02135 -61.45787 645.02411
6325.0000 -63.54883 -61.38315 2.16568 2.03493 -61.33566 685.32982
6330.0000 -64.02186 -61.70862 2.31324 2.03015 -61.37868 694.17804
6335.0000 -64.08696 -61.78620 2.30076 1.99372 -61.70648 697.73661
6340.0000 -64.17869 -62.14341 2.03529 1.99145 -61.72698 597.92385
6345.0000 -63.96399 -61.94091 2.02308 1.95001 -62.09994 581.51223
6350.0000 -64.36308 -62.11958 2.24350 1.95104 -62.09068 604.65454
6355.0000 -64.30324 -62.24809 2.05515 1.94676 -62.12917 632.65486
6360.0000 -63.86584 -61.53664 2.32920 1.98516 -61.78354 638.99251
6365.0000 -64.32071 -62.63338 1.68734 1.90354 -62.51817 565.34306
6370.0000 -64.60754 -62.81420 1.79334 1.86756 -62.84197 490.65500
6375.0000 -64.11995 -61.87972 2.24023 1.94497 -62.14531 597.77459
6380.0000 -63.68591 -61.52643 2.15948 2.00609 -61.59515 646.81711
6385.0000 -63.32240 -61.08549 2.23692 2.07040 -61.01641 719.53620
6390.0000 -63.81188 -61.49751 2.31437 2.06831 -61.03519 705.86993
6395.0000 -64.40366 -61.78714 2.61652 1.99096 -61.73133 637.37874
6400.0000 -63.13401 -60.87569 2.25832 2.02952 -61.38436 714.11468
6405.0000 -63.10865 -60.83183 2.27681 2.06772 -61.04055 670.79356
6410.0000 -64.09165 -61.55494 2.53671 2.05402 -61.16385 639.61381
6415.0000 -64.95039 -62.72630 2.22409 1.92942 -62.28521 595.49656
6420.0000 -63.94416 -62.00197 1.94219 1.90815 -62.47662 566.65368
6425.0000 -64.35868 -62.15551 2.20317 1.95022 -62.09800 613.19756
6430.0000 -63.55822 -61.50429 2.05393 1.98458 -61.78878 631.55936
6435.0000 -63.90196 -61.37284 2.52912 2.02791 -61.39884 629.10187
6440.0000 -63.92724 -61.68881 2.23843 2.02095 -61.46148 679.08577
6445.0000 -64.13529 -62.17584 1.95945 1.98722 -61.76501 652.59678
6450.0000 -64.04129 -61.89980 2.14149 1.97154 -61.90610 609.97017
6455.0000 -63.67303 -61.58924 2.08379 1.95174 -62.08436 599.06607
6460.0000 -62.48730 -60.10623 2.38107 2.07114 -61.00970 717.97097
6465.0000 -64.17018 -61.81901 2.35117 2.04076 -61.28317 671.43863
6470.0000 -63.98757 -62.01662 1.97094 1.96415 -61.97265 620.13900
6475.0000 -63.88523 -61.72098 2.16425 1.95756 -62.03197 603.33190
6480.0000 -63.18193 -60.82028 2.36165 2.00481 -61.60667 656.74015
6485.0000 -64.62167 -62.45911 2.16257 1.99035 -61.73687 618.40921
6490.0000 -63.57850 -61.36021 2.21828 1.97435 -61.88081 626.13929
6495.0000 -63.89055 -61.63626 2.25430 2.01852 -61.48336 658.05915
6500.0000 -63.90671 -62.02322 1.88349 1.97507 -61.87437 606.87988
FREEZING PROCESS: loop number 27 T-loop= 593.00000000000000
main_MD> interactions number 27 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08500 1.71595 -0.81675
force_rgl> df(natom) 0.73698 -1.45156 2.47811
6505.0000 -64.01068 -62.17558 1.83510 1.91574 -62.40833 551.78492
6510.0000 -63.98613 -61.76853 2.21760 1.97887 -61.84021 643.56727
6515.0000 -64.01443 -61.98286 2.03158 1.95502 -62.05485 608.63453
6520.0000 -63.88389 -61.95022 1.93367 1.95481 -62.05672 614.83162
6525.0000 -64.57030 -62.67892 1.89138 1.91852 -62.38336 556.10215
6530.0000 -63.81989 -61.90958 1.91031 1.93252 -62.25728 573.82345
6535.0000 -63.90462 -61.99174 1.91288 1.90518 -62.50340 545.92677
6540.0000 -63.96655 -61.84816 2.11839 2.02743 -61.40311 659.27359
6545.0000 -63.96220 -61.45101 2.51119 2.02325 -61.44079 659.11237
6550.0000 -63.70271 -61.65226 2.05044 2.01220 -61.54018 662.59130
6555.0000 -63.59137 -61.37342 2.21795 2.01197 -61.54230 585.81981
6560.0000 -63.56787 -61.03633 2.53154 2.03614 -61.32473 636.77864
6565.0000 -63.63259 -61.79389 1.83870 2.04830 -61.21530 703.84962
6570.0000 -63.80055 -61.77774 2.02281 1.97710 -61.85607 643.94275
6575.0000 -64.30979 -62.57197 1.73782 1.93455 -62.23905 597.55749
6580.0000 -64.15695 -62.61211 1.54484 1.91047 -62.45576 559.54082
6585.0000 -64.25938 -62.12468 2.13470 1.93664 -62.22024 573.83668
6590.0000 -63.77193 -61.73745 2.03447 1.99374 -61.70632 632.09266
6595.0000 -64.28254 -62.05575 2.22679 1.96396 -61.97439 590.78603
6600.0000 -64.56288 -62.76712 1.79576 1.89519 -62.59333 551.50039
6605.0000 -64.19916 -62.01878 2.18038 1.88241 -62.70832 526.52319
6610.0000 -63.68556 -61.97658 1.70898 1.94832 -62.11516 630.39140
6615.0000 -64.37977 -61.95946 2.42031 1.96435 -61.97086 601.82553
6620.0000 -64.17437 -62.13235 2.04202 1.95572 -62.04850 585.86796
6625.0000 -63.38448 -61.63138 1.75309 1.95637 -62.04264 599.40685
6630.0000 -63.98265 -61.80709 2.17556 2.03109 -61.37022 690.00008
6635.0000 -64.39010 -61.83859 2.55151 1.97068 -61.91385 629.26052
6640.0000 -63.00646 -60.94074 2.06572 2.05282 -61.17465 696.44275
6645.0000 -63.65725 -61.41488 2.24237 2.03114 -61.36975 622.75737
6650.0000 -64.58282 -61.95137 2.63146 1.98576 -61.77813 603.23141
6655.0000 -63.96521 -62.24414 1.72107 1.93502 -62.23484 593.42000
6660.0000 -64.36375 -62.93274 1.43101 1.89228 -62.61951 545.27680
6665.0000 -64.59327 -62.73768 1.85559 1.86122 -62.89905 521.52011
6670.0000 -63.93532 -62.20588 1.72945 1.89540 -62.59140 542.69050
6675.0000 -63.99957 -61.63913 2.36044 1.96174 -61.99438 622.46217
6680.0000 -63.65852 -61.84600 1.81252 2.00154 -61.63613 659.94326
6685.0000 -64.58100 -62.60054 1.98045 1.94537 -62.14167 606.67781
6690.0000 -64.97704 -63.35599 1.62105 1.85211 -62.98102 500.61261
6695.0000 -64.67941 -62.21137 2.46804 1.86907 -62.82841 531.59042
6700.0000 -64.37205 -61.99580 2.37625 1.97863 -61.84229 643.03940
6705.0000 -63.88634 -62.24699 1.63934 1.93710 -62.21612 561.17206
6710.0000 -63.65847 -61.47424 2.18423 1.98058 -61.82476 562.72952
6715.0000 -64.21674 -61.97373 2.24302 2.00970 -61.56271 624.68590
6720.0000 -63.78613 -61.69986 2.08627 1.98712 -61.76590 583.91653
6725.0000 -64.41842 -62.49322 1.92520 1.91650 -62.40149 544.90536
6730.0000 -64.47334 -62.94053 1.53281 1.89033 -62.63703 528.37405
6735.0000 -64.59701 -62.44102 2.15600 1.89547 -62.59081 531.84557
6740.0000 -64.46268 -62.40317 2.05951 1.90544 -62.50100 557.91667
6745.0000 -63.69655 -61.60201 2.09454 1.94459 -62.14870 612.28810
6750.0000 -63.66342 -61.72898 1.93444 1.99836 -61.66476 654.77965
FREEZING PROCESS: loop number 28 T-loop= 568.00000000000000
main_MD> interactions number 28 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70815 2.34038 0.27469
force_rgl> df(natom) -0.25656 -3.31556 1.65063
6755.0000 -64.43500 -61.92647 2.50853 1.97284 -61.89448 605.59610
6760.0000 -64.22175 -62.20494 2.01681 1.93670 -62.21970 568.74161
6765.0000 -64.44019 -62.23304 2.20715 1.93915 -62.19761 635.41618
6770.0000 -64.91252 -62.47683 2.43569 1.89902 -62.55886 566.26896
6775.0000 -64.90158 -62.50750 2.39407 1.91402 -62.42385 582.14859
6780.0000 -64.45713 -62.95585 1.50128 1.86471 -62.86758 528.18347
6785.0000 -64.15636 -62.73053 1.42583 1.87278 -62.79494 524.91061
6790.0000 -64.78719 -62.48750 2.29969 1.87369 -62.78683 530.05949
6795.0000 -64.52021 -62.47948 2.04073 1.89849 -62.56358 504.49647
6800.0000 -64.57282 -62.31981 2.25302 1.90330 -62.52027 537.92152
6805.0000 -64.54806 -62.92527 1.62278 1.86654 -62.85113 526.51951
6810.0000 -64.60202 -63.14697 1.45505 1.87442 -62.78026 536.51603
6815.0000 -64.56472 -63.14165 1.42306 1.84977 -63.00209 474.64162
6820.0000 -65.09355 -63.20685 1.88670 1.85687 -62.93819 501.35757
6825.0000 -63.90636 -61.82110 2.08526 1.91894 -62.37955 579.92359
6830.0000 -64.32762 -62.17002 2.15760 1.97718 -61.85534 591.23775
6835.0000 -63.41148 -61.49674 1.91475 1.98465 -61.78815 567.07568
6840.0000 -63.94090 -61.82272 2.11818 2.00801 -61.57793 620.39214
6845.0000 -64.44914 -62.47351 1.97563 1.93816 -62.20657 578.03078
6850.0000 -64.71785 -62.49440 2.22345 1.92073 -62.36339 593.09251
6855.0000 -63.47108 -61.52611 1.94497 1.96158 -61.99581 638.71726
6860.0000 -64.07986 -61.17742 2.90243 2.02310 -61.44208 659.94785
6865.0000 -64.12484 -62.75377 1.37107 1.94048 -62.18570 590.52811
6870.0000 -64.97256 -62.70739 2.26518 1.87988 -62.73112 533.72546
6875.0000 -64.63566 -62.56080 2.07486 1.88761 -62.66151 535.27072
6880.0000 -64.75803 -62.90460 1.85343 1.90771 -62.48061 567.71498
6885.0000 -64.41528 -62.51390 1.90138 1.89410 -62.60307 569.55778
6890.0000 -64.28282 -62.43700 1.84582 1.91718 -62.39542 563.58293
6895.0000 -63.92835 -62.53344 1.39492 1.89619 -62.58427 539.94985
6900.0000 -64.74966 -62.70159 2.04806 1.90330 -62.52031 512.50743
6905.0000 -63.68257 -61.55012 2.13245 1.96689 -61.94797 593.00802
6910.0000 -64.27139 -62.48368 1.78770 1.96102 -62.00080 621.36404
6915.0000 -64.36027 -62.68169 1.67858 1.93042 -62.27625 579.14823
6920.0000 -63.98652 -62.04948 1.93705 1.92900 -62.28903 556.34819
6925.0000 -64.04886 -61.92701 2.12185 2.00646 -61.59182 638.94884
6930.0000 -63.70081 -61.70760 1.99321 1.96387 -61.97514 619.24602
6935.0000 -63.97760 -62.21518 1.76242 1.97027 -61.91753 641.48646
6940.0000 -64.72996 -62.67740 2.05255 1.91342 -62.42925 564.04949
6945.0000 -64.28796 -62.07247 2.21550 1.91869 -62.38179 574.42125
6950.0000 -64.66440 -62.13919 2.52521 1.96922 -61.92706 640.57516
6955.0000 -64.88379 -62.97194 1.91185 1.92761 -62.30151 578.29939
6960.0000 -64.65987 -63.03876 1.62111 1.85973 -62.91243 516.21439
6965.0000 -64.94073 -63.19881 1.74192 1.83194 -63.16254 492.85601
6970.0000 -64.72455 -62.77022 1.95434 1.82169 -63.25482 463.20945
6975.0000 -64.67421 -62.98777 1.68644 1.87617 -62.76445 536.04506
6980.0000 -64.80686 -61.99673 2.81013 1.89953 -62.55422 570.35371
6985.0000 -64.60679 -62.56490 2.04189 1.95961 -62.01351 616.58068
6990.0000 -64.34782 -62.31313 2.03469 1.92379 -62.33587 572.49149
6995.0000 -64.55690 -62.55862 1.99828 1.91443 -62.42014 565.22776
7000.0000 -64.66839 -62.88974 1.77865 1.90305 -62.52259 550.90617
FREEZING PROCESS: loop number 29 T-loop= 543.00000000000000
main_MD> interactions number 29 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.81749 0.84296 -0.66719
force_rgl> df(natom) 1.41377 1.68941 0.08011
7005.0000 -64.49277 -63.26599 1.22677 1.81489 -63.31602 450.40822
7010.0000 -64.82756 -63.24542 1.58214 1.85199 -62.98209 485.09223
7015.0000 -64.09805 -61.61638 2.48167 1.87634 -62.76298 532.06172
7020.0000 -64.49652 -62.85193 1.64459 1.89759 -62.57167 562.64761
7025.0000 -64.02716 -61.66707 2.36010 1.92525 -62.32277 567.82832
7030.0000 -64.13096 -61.57718 2.55378 1.97853 -61.84327 593.69811
7035.0000 -63.93378 -61.57293 2.36085 1.98377 -61.79604 625.65813
7040.0000 -64.26250 -62.38315 1.87935 1.99602 -61.68585 629.77679
7045.0000 -64.29328 -62.55276 1.74053 1.85056 -62.99497 492.98444
7050.0000 -64.27050 -62.68731 1.58319 1.85790 -62.92893 489.89578
7055.0000 -63.80403 -62.09651 1.70753 1.88553 -62.68023 523.51107
7060.0000 -64.06828 -62.39177 1.67651 1.93999 -62.19006 580.00711
7065.0000 -64.08416 -61.94094 2.14323 1.96471 -61.96759 564.48844
7070.0000 -63.65347 -62.15330 1.50016 1.95525 -62.05272 540.45801
7075.0000 -63.96217 -62.61362 1.34855 1.89871 -62.56160 499.23136
7080.0000 -64.45642 -62.83301 1.62340 1.89455 -62.59905 509.41800
7085.0000 -64.64149 -62.83285 1.80864 1.86811 -62.83700 511.33254
7090.0000 -64.40728 -62.83333 1.57395 1.85730 -62.93430 485.70753
7095.0000 -64.78929 -62.80594 1.98335 1.87480 -62.77677 519.28227
7100.0000 -64.13172 -61.92903 2.20269 1.90936 -62.46580 573.43444
7105.0000 -64.26708 -62.22837 2.03871 1.95030 -62.09726 604.73941
7110.0000 -64.52248 -62.73696 1.78552 1.87260 -62.79663 495.97475
7115.0000 -64.10455 -62.91530 1.18924 1.87159 -62.80572 506.54231
7120.0000 -64.76712 -62.34857 2.41855 1.89934 -62.55598 541.32818
7125.0000 -64.40995 -62.04202 2.36793 1.93011 -62.27904 548.33474
7130.0000 -64.34951 -62.61475 1.73476 1.90445 -62.50994 541.20604
7135.0000 -64.16721 -62.34369 1.82352 1.89859 -62.56273 539.54089
7140.0000 -64.84801 -62.91035 1.93766 1.91473 -62.41743 555.02761
7145.0000 -64.43231 -62.97477 1.45755 1.85247 -62.97778 505.56936
7150.0000 -64.62379 -62.54409 2.07969 1.86090 -62.90188 526.17427
7155.0000 -64.24237 -62.49279 1.74958 1.89087 -62.63216 530.13917
7160.0000 -63.82597 -62.06093 1.76504 1.92744 -62.30304 567.35270
7165.0000 -64.80640 -62.74367 2.06273 1.93449 -62.23960 615.01217
7170.0000 -64.48738 -62.87903 1.60834 1.86385 -62.87535 490.94745
7175.0000 -65.14970 -63.46337 1.68634 1.82631 -63.21322 482.60284
7180.0000 -64.60886 -62.73487 1.87399 1.83035 -63.17689 457.77450
7185.0000 -64.67125 -63.17659 1.49467 1.85787 -62.92918 508.68248
7190.0000 -64.78052 -62.70482 2.07571 1.86929 -62.82642 514.73047
7195.0000 -65.09948 -63.52866 1.57082 1.86517 -62.86349 509.78881
7200.0000 -64.82847 -62.85489 1.97357 1.83227 -63.15960 486.02754
7205.0000 -64.51735 -62.88603 1.63132 1.88185 -62.71334 532.68622
7210.0000 -64.89185 -62.80969 2.08217 1.91781 -62.38969 555.99119
7215.0000 -64.30767 -62.55395 1.75372 1.90235 -62.52889 549.58358
7220.0000 -64.15113 -62.55975 1.59138 1.88175 -62.71422 529.22995
7225.0000 -64.41358 -62.50532 1.90826 1.91969 -62.37280 597.61157
7230.0000 -64.60266 -62.84002 1.76263 1.85612 -62.94490 476.39078
7235.0000 -64.60120 -62.27024 2.33096 1.88880 -62.65080 528.57972
7240.0000 -64.62517 -62.61939 2.00579 1.93377 -62.24611 585.79528
7245.0000 -64.05320 -62.46968 1.58352 1.89645 -62.58195 538.14096
7250.0000 -63.96926 -61.95073 2.01853 1.95501 -62.05488 595.98061
FREEZING PROCESS: loop number 30 T-loop= 518.00000000000000
main_MD> interactions number 30 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03972 -1.38269 -0.06408
force_rgl> df(natom) 0.03505 1.45151 -0.38588
7255.0000 -64.36719 -62.52089 1.84630 1.96952 -61.92428 619.42015
7260.0000 -64.36958 -62.99916 1.37042 1.87703 -62.75676 520.24344
7265.0000 -64.53969 -63.16817 1.37152 1.87637 -62.76269 521.16751
7270.0000 -64.45335 -62.74624 1.70711 1.81692 -63.29776 474.18337
7275.0000 -64.24975 -62.66936 1.58039 1.88063 -62.72434 532.12813
7280.0000 -64.66537 -63.11973 1.54564 1.84328 -63.06045 485.70985
7285.0000 -64.20601 -62.50316 1.70285 1.88403 -62.69373 526.25948
7290.0000 -64.82492 -62.70635 2.11857 1.89607 -62.58541 548.93579
7295.0000 -64.49992 -62.55050 1.94942 1.85948 -62.91468 520.06688
7300.0000 -64.27448 -62.59936 1.67512 1.90418 -62.51241 549.31825
7305.0000 -64.34789 -62.59917 1.74873 1.87007 -62.81939 505.31167
7310.0000 -64.85132 -62.53745 2.31387 1.88328 -62.70048 527.72546
7315.0000 -64.68224 -63.05338 1.62886 1.90085 -62.54239 562.21681
7320.0000 -64.23540 -62.17025 2.06515 1.91091 -62.45180 556.83313
7325.0000 -64.52550 -62.51107 2.01443 1.92208 -62.35132 595.58136
7330.0000 -64.41079 -62.86739 1.54340 1.89822 -62.56604 542.62936
7335.0000 -64.09871 -61.64326 2.45546 1.90817 -62.47650 548.48984
7340.0000 -64.45425 -62.83021 1.62404 1.92355 -62.33802 573.86548
7345.0000 -64.78245 -62.79767 1.98478 1.87166 -62.80508 516.87447
7350.0000 -64.73790 -62.87438 1.86351 1.86106 -62.90049 491.44629
7355.0000 -64.05548 -62.40471 1.65077 1.82443 -63.23014 473.34837
7360.0000 -64.96583 -63.57491 1.39092 1.84163 -63.07532 464.39262
7365.0000 -64.64475 -63.08007 1.56469 1.82435 -63.23089 477.32258
7370.0000 -65.01303 -63.32262 1.69040 1.83649 -63.12158 494.10740
7375.0000 -65.10807 -63.20945 1.89862 1.83114 -63.16970 486.89130
7380.0000 -64.36361 -62.48328 1.88033 1.85653 -62.94127 508.02967
7385.0000 -64.61536 -62.73597 1.87939 1.91846 -62.38385 590.95134
7390.0000 -64.46030 -62.47075 1.98954 1.87183 -62.80354 523.95421
7395.0000 -64.01295 -62.26474 1.74821 1.93875 -62.20127 576.59618
7400.0000 -64.62383 -62.84591 1.77792 1.90649 -62.49160 548.17043
7405.0000 -64.74189 -63.25768 1.48421 1.83334 -63.14998 476.43314
7410.0000 -65.08231 -63.34186 1.74045 1.83446 -63.13984 484.35031
7415.0000 -64.62943 -62.85769 1.77174 1.83916 -63.09753 469.70086
7420.0000 -64.70688 -63.08765 1.61923 1.83899 -63.09910 474.47603
7425.0000 -64.00580 -62.31605 1.68976 1.91379 -62.42585 543.13329
7430.0000 -64.45292 -63.00047 1.45245 1.87402 -62.78379 481.09953
7435.0000 -64.86034 -62.75990 2.10044 1.87482 -62.77658 512.55348
7440.0000 -64.14568 -62.30663 1.83905 1.89221 -62.62007 537.43726
7445.0000 -63.98961 -62.12837 1.86123 1.93620 -62.22418 565.36817
7450.0000 -64.34726 -62.19246 2.15479 1.92946 -62.28482 555.08955
7455.0000 -64.39299 -62.58919 1.80380 1.88956 -62.64398 520.41891
7460.0000 -64.13869 -62.63156 1.50713 1.86445 -62.86997 508.17098
7465.0000 -64.42577 -62.69903 1.72674 1.88048 -62.72568 545.48924
7470.0000 -64.80534 -63.45703 1.34831 1.85973 -62.91239 509.08707
7475.0000 -64.64197 -62.95487 1.68710 1.81234 -63.33890 445.82323
7480.0000 -64.21785 -62.69363 1.52422 1.85382 -62.96565 490.75256
7485.0000 -64.09969 -62.33787 1.76182 1.89496 -62.59539 501.74335
7490.0000 -64.37695 -62.40548 1.97146 1.95490 -62.05587 584.05229
7495.0000 -64.64598 -62.54121 2.10477 1.89178 -62.62398 543.98755
7500.0000 -64.21587 -61.84546 2.37041 1.96601 -61.95591 618.88511
FREEZING PROCESS: loop number 31 T-loop= 493.00000000000000
main_MD> interactions number 31 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08263 -4.52261 3.27794
force_rgl> df(natom) 0.55289 2.96300 -0.11685
7505.0000 -64.28501 -62.81308 1.47193 1.91082 -62.45260 547.36633
7510.0000 -64.69573 -63.29156 1.40417 1.84120 -63.07922 478.32345
7515.0000 -64.87148 -62.84888 2.02259 1.88209 -62.71116 525.33116
7520.0000 -64.68983 -63.22393 1.46590 1.83140 -63.16743 479.96551
7525.0000 -64.39773 -62.76700 1.63074 1.87351 -62.78841 515.74833
7530.0000 -64.88459 -62.81521 2.06938 1.88453 -62.68921 523.08860
7535.0000 -64.20952 -62.55570 1.65381 1.89449 -62.59961 523.80743
7540.0000 -64.34226 -62.43405 1.90820 1.94153 -62.17620 589.83353
7545.0000 -64.96298 -62.85661 2.10637 1.89385 -62.60538 544.80016
7550.0000 -64.50228 -62.34820 2.15407 1.89782 -62.56964 549.23266
7555.0000 -63.92045 -62.45921 1.46124 1.93083 -62.27252 573.16752
7560.0000 -64.51272 -62.71622 1.79651 1.85383 -62.96554 488.40598
7565.0000 -64.19632 -62.61919 1.57714 1.88595 -62.67646 516.21274
7570.0000 -64.63460 -62.81857 1.81603 1.87972 -62.73250 517.46258
7575.0000 -64.46448 -63.04705 1.41743 1.84520 -63.04319 487.28362
7580.0000 -65.05533 -63.73298 1.32236 1.83258 -63.15677 480.41758
7585.0000 -65.32874 -63.09993 2.22881 1.80898 -63.36918 467.71994
7590.0000 -64.93756 -63.14494 1.79262 1.84319 -63.06131 496.16984
7595.0000 -64.81516 -62.96880 1.84636 1.90414 -62.51277 568.65736
7600.0000 -64.49643 -62.70845 1.78798 1.87382 -62.78559 527.48302
7605.0000 -65.13783 -63.60583 1.53200 1.82545 -63.22092 477.22440
7610.0000 -65.24396 -63.48983 1.75413 1.78445 -63.58996 420.98965
7615.0000 -64.63784 -63.12272 1.51512 1.85091 -62.99182 475.49812
7620.0000 -64.32256 -62.72240 1.60016 1.85624 -62.94385 498.11267
7625.0000 -64.70950 -62.84718 1.86232 1.89692 -62.57769 531.13749
7630.0000 -64.44325 -62.96679 1.47646 1.86862 -62.83244 489.50860
7635.0000 -64.78135 -63.18916 1.59219 1.87967 -62.73293 533.15047
7640.0000 -64.83495 -62.92742 1.90754 1.83281 -63.15471 474.00282
7645.0000 -64.89647 -63.02298 1.87349 1.84057 -63.08483 490.82228
7650.0000 -64.58357 -62.58586 1.99771 1.83897 -63.09923 502.84870
7655.0000 -64.61242 -62.96508 1.64734 1.86159 -62.89566 506.62939
7660.0000 -64.93730 -63.22241 1.71489 1.80085 -63.44238 434.81213
7665.0000 -65.02639 -63.03582 1.99056 1.82634 -63.21291 470.58987
7670.0000 -65.35387 -63.72189 1.63198 1.85872 -62.92148 509.90179
7675.0000 -64.65772 -62.58877 2.06895 1.84653 -63.03124 471.76326
7680.0000 -65.01050 -62.95485 2.05565 1.85506 -62.95449 510.65478
7685.0000 -65.06454 -62.67309 2.39144 1.85584 -62.94741 497.42180
7690.0000 -64.40779 -62.80927 1.59852 1.86570 -62.85871 528.09663
7695.0000 -64.88283 -63.33087 1.55196 1.85931 -62.91623 516.40548
7700.0000 -64.62199 -63.00897 1.61302 1.83046 -63.17584 455.76679
7705.0000 -64.49934 -62.83371 1.66563 1.84606 -63.03543 482.73814
7710.0000 -64.42930 -62.77208 1.65723 1.90116 -62.53952 529.25287
7715.0000 -65.34206 -63.62450 1.71756 1.87058 -62.81477 496.69740
7720.0000 -65.08246 -63.00260 2.07986 1.81541 -63.31131 454.78250
7725.0000 -65.35778 -63.60958 1.74820 1.80579 -63.39792 449.75720
7730.0000 -65.15342 -63.44449 1.70893 1.79770 -63.47070 439.82363
7735.0000 -65.10945 -63.61601 1.49344 1.78937 -63.54571 440.13687
7740.0000 -65.24306 -63.33008 1.91298 1.83177 -63.16409 481.24953
7745.0000 -64.62461 -63.09991 1.52470 1.81758 -63.29174 472.12182
7750.0000 -64.50253 -63.09366 1.40887 1.82815 -63.19663 461.85782
FREEZING PROCESS: loop number 32 T-loop= 468.00000000000000
main_MD> interactions number 32 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.90375 -4.32392 -0.89553
force_rgl> df(natom) 1.23558 1.83491 3.00286
7755.0000 -65.06478 -63.41893 1.64585 1.84405 -63.05354 489.62850
7760.0000 -65.09291 -63.66008 1.43284 1.79985 -63.45132 435.71411
7765.0000 -65.11812 -63.71348 1.40464 1.78150 -63.61647 432.79727
7770.0000 -64.86875 -63.60789 1.26086 1.77990 -63.63090 425.44520
7775.0000 -64.92073 -63.08942 1.83130 1.82463 -63.22832 448.80759
7780.0000 -64.92438 -63.22240 1.70198 1.82463 -63.22835 464.74557
7785.0000 -65.06069 -63.62657 1.43412 1.80895 -63.36943 438.93149
7790.0000 -64.75345 -63.06800 1.68545 1.82907 -63.18833 476.96331
7795.0000 -65.10024 -63.46708 1.63316 1.79905 -63.45852 456.23527
7800.0000 -65.06507 -63.00197 2.06310 1.83008 -63.17924 480.99185
7805.0000 -64.53793 -63.06812 1.46981 1.82536 -63.22174 479.23580
7810.0000 -64.68410 -62.74310 1.94101 1.88786 -62.65925 517.48584
7815.0000 -64.56784 -62.86438 1.70346 1.91019 -62.45830 560.54876
7820.0000 -65.12835 -63.64176 1.48659 1.84789 -63.01896 521.09505
7825.0000 -65.05741 -63.40501 1.65240 1.78492 -63.58568 424.69072
7830.0000 -65.44997 -63.94853 1.50144 1.79387 -63.50515 446.83721
7835.0000 -65.30379 -63.80921 1.49458 1.77373 -63.68642 418.95061
7840.0000 -64.51220 -62.79438 1.71782 1.81161 -63.34548 460.05038
7845.0000 -65.05401 -63.64297 1.41104 1.81978 -63.27199 459.66781
7850.0000 -65.21773 -63.79955 1.41818 1.77448 -63.67972 394.39613
7855.0000 -64.83356 -63.20832 1.62524 1.78527 -63.58254 393.11030
7860.0000 -65.02529 -63.54168 1.48361 1.81359 -63.32772 442.03862
7865.0000 -65.01867 -63.55537 1.46330 1.79954 -63.45411 415.97304
7870.0000 -64.29668 -62.78912 1.50756 1.82241 -63.24834 443.58866
7875.0000 -64.81503 -63.15088 1.66415 1.85585 -62.94732 498.97981
7880.0000 -65.22369 -63.50132 1.72237 1.79324 -63.51088 459.62779
7885.0000 -64.38373 -62.80889 1.57485 1.84218 -63.07034 505.36025
7890.0000 -64.77046 -63.31050 1.45996 1.83942 -63.09518 491.00158
7895.0000 -64.41602 -62.61001 1.80601 1.84934 -63.00595 504.90741
7900.0000 -64.59516 -63.15413 1.44103 1.87154 -62.80617 505.39091
7905.0000 -64.64534 -63.31569 1.32965 1.84671 -63.02965 467.23901
7910.0000 -65.04800 -63.48179 1.56621 1.79682 -63.47866 439.39934
7915.0000 -65.24678 -63.21551 2.03127 1.81076 -63.35317 463.81336
7920.0000 -64.74091 -63.26171 1.47920 1.79189 -63.52297 418.86353
7925.0000 -64.73325 -63.26148 1.47177 1.82756 -63.20194 459.92442
7930.0000 -65.01235 -63.31783 1.69452 1.79131 -63.52822 417.02828
7935.0000 -64.22234 -62.26629 1.95605 1.88575 -62.67829 531.69476
7940.0000 -64.87039 -62.64996 2.22043 1.91202 -62.44185 566.96330
7945.0000 -64.74718 -62.76683 1.98035 1.88316 -62.70152 553.64421
7950.0000 -64.85669 -63.48856 1.36813 1.83075 -63.17329 472.92846
7955.0000 -64.61581 -62.66883 1.94698 1.83680 -63.11878 493.58950
7960.0000 -65.08957 -63.24284 1.84672 1.89857 -62.56283 573.99944
7965.0000 -64.40436 -63.19570 1.20867 1.85730 -62.93428 493.84545
7970.0000 -64.30673 -62.73189 1.57484 1.82256 -63.24694 411.01215
7975.0000 -64.25204 -62.74264 1.50940 1.86809 -62.83721 487.79407
7980.0000 -64.39095 -62.72933 1.66163 1.88786 -62.65925 527.04900
7985.0000 -64.39283 -62.54102 1.85181 1.91275 -62.43521 554.11712
7990.0000 -64.85438 -63.36644 1.48794 1.85741 -62.93333 483.95223
7995.0000 -64.81860 -62.82973 1.98888 1.85482 -62.95658 503.84727
8000.0000 -64.88800 -63.46377 1.42423 1.82416 -63.23253 482.76817
FREEZING PROCESS: loop number 33 T-loop= 443.00000000000000
main_MD> interactions number 33 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17007 0.52938 -0.59087
force_rgl> df(natom) -0.02330 0.26163 -0.96588
8005.0000 -64.76570 -63.25130 1.51440 1.80464 -63.40821 443.25152
8010.0000 -65.01395 -63.46351 1.55044 1.80075 -63.44325 455.49781
8015.0000 -65.03269 -63.62513 1.40756 1.82834 -63.19498 484.61311
8020.0000 -64.95603 -63.72877 1.22726 1.78006 -63.62948 431.36718
8025.0000 -65.38776 -63.31263 2.07513 1.79229 -63.51937 432.78842
8030.0000 -65.05370 -63.99900 1.05470 1.78364 -63.59726 422.55446
8035.0000 -65.22008 -63.89799 1.32209 1.75771 -63.83062 383.51976
8040.0000 -65.00057 -63.51803 1.48254 1.74081 -63.98267 355.32671
8045.0000 -65.12158 -63.80944 1.31214 1.79306 -63.51249 421.35833
8050.0000 -64.61715 -63.02913 1.58802 1.78212 -63.61092 412.26017
8055.0000 -64.94577 -63.68405 1.26172 1.81573 -63.30845 446.22867
8060.0000 -64.87687 -62.99708 1.87980 1.80918 -63.36736 452.45598
8065.0000 -64.73098 -63.06451 1.66647 1.84504 -63.04465 488.98998
8070.0000 -64.92136 -63.69620 1.22516 1.85744 -62.93300 517.88456
8075.0000 -65.00906 -63.16227 1.84679 1.80204 -63.43167 448.47596
8080.0000 -65.31363 -63.54048 1.77315 1.78746 -63.56283 445.96944
8085.0000 -65.21274 -63.36507 1.84767 1.78240 -63.60836 425.74464
8090.0000 -64.70568 -63.15775 1.54793 1.81760 -63.29161 461.20072
8095.0000 -64.85178 -63.01666 1.83512 1.83732 -63.11414 484.41245
8100.0000 -65.36111 -63.76085 1.60026 1.81271 -63.33564 457.92855
8105.0000 -64.18531 -62.67354 1.51177 1.80352 -63.41834 435.92879
8110.0000 -64.63805 -62.66243 1.97562 1.90179 -62.53393 537.89013
8115.0000 -64.71396 -63.13475 1.57922 1.87823 -62.74596 505.50266
8120.0000 -64.71812 -63.33744 1.38068 1.84259 -63.06668 487.80984
8125.0000 -65.10447 -63.96075 1.14372 1.76375 -63.77628 395.68430
8130.0000 -64.96335 -63.20446 1.75889 1.79891 -63.45978 440.55578
8135.0000 -65.58526 -63.96067 1.62459 1.79519 -63.49328 453.83011
8140.0000 -65.12938 -63.56195 1.56743 1.77598 -63.66620 424.78844
8145.0000 -65.22557 -64.01193 1.21364 1.75212 -63.88088 398.03386
8150.0000 -64.99170 -63.36337 1.62833 1.76984 -63.72140 406.20588
8155.0000 -64.78845 -63.30370 1.48475 1.81338 -63.32958 451.25372
8160.0000 -64.97383 -63.06545 1.90838 1.83011 -63.17905 476.44831
8165.0000 -64.50236 -63.19296 1.30939 1.84861 -63.01252 503.43313
8170.0000 -65.23110 -63.85297 1.37813 1.79268 -63.51588 438.17426
8175.0000 -65.22829 -63.03684 2.19145 1.82003 -63.26969 499.80180
8180.0000 -64.73715 -62.89811 1.83904 1.84240 -63.06843 502.46627
8185.0000 -64.57486 -63.21429 1.36057 1.83859 -63.10271 485.29073
8190.0000 -64.65859 -63.25830 1.40029 1.81719 -63.29525 463.16236
8195.0000 -65.19693 -63.17294 2.02399 1.83879 -63.10087 483.06726
8200.0000 -64.86159 -63.57615 1.28544 1.78037 -63.62665 428.21607
8205.0000 -65.10204 -62.85659 2.24545 1.82887 -63.19018 482.24834
8210.0000 -65.30862 -63.64957 1.65905 1.79831 -63.46520 447.16365
8215.0000 -64.89802 -63.51932 1.37870 1.79675 -63.47928 428.75940
8220.0000 -65.49875 -63.81342 1.68533 1.77301 -63.69287 418.12655
8225.0000 -65.34912 -64.06993 1.27919 1.73483 -64.03650 375.68416
8230.0000 -65.04004 -63.98989 1.05015 1.73486 -64.03628 371.98120
8235.0000 -65.29129 -63.78478 1.50650 1.77318 -63.69140 420.04352
8240.0000 -65.05304 -63.44084 1.61220 1.75156 -63.88598 381.91813
8245.0000 -64.70374 -63.56386 1.13987 1.76670 -63.74966 402.27933
8250.0000 -64.81631 -63.45632 1.35999 1.79431 -63.50120 440.45758
FREEZING PROCESS: loop number 34 T-loop= 418.00000000000000
main_MD> interactions number 34 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70836 1.33432 -0.31752
force_rgl> df(natom) -1.77498 -0.50289 -1.01200
8255.0000 -65.34428 -63.89805 1.44623 1.77955 -63.63408 425.20600
8260.0000 -65.10572 -63.48359 1.62214 1.79164 -63.52522 436.63750
8265.0000 -65.53900 -63.96350 1.57549 1.77867 -63.64195 430.75139
8270.0000 -65.43745 -64.03772 1.39973 1.73862 -64.00243 373.52739
8275.0000 -64.93279 -63.50351 1.42928 1.77858 -63.64281 409.07067
8280.0000 -65.26216 -63.81935 1.44281 1.77284 -63.69446 403.88303
8285.0000 -65.21916 -64.10918 1.10998 1.73644 -64.02205 367.83581
8290.0000 -65.31191 -64.20469 1.10722 1.71012 -64.25891 325.64297
8295.0000 -65.44292 -64.22356 1.21935 1.71669 -64.19975 346.88540
8300.0000 -65.36077 -64.12266 1.23812 1.74941 -63.90528 381.14676
8305.0000 -65.32192 -64.08397 1.23795 1.74872 -63.91151 387.27916
8310.0000 -65.32794 -63.77644 1.55149 1.71531 -64.21218 338.19716
8315.0000 -65.15831 -63.80200 1.35631 1.77146 -63.70689 398.47449
8320.0000 -65.26129 -63.67471 1.58658 1.79530 -63.49234 438.29959
8325.0000 -64.91254 -63.30566 1.60688 1.78562 -63.57941 428.56946
8330.0000 -65.15993 -63.93175 1.22818 1.77372 -63.68649 411.46676
8335.0000 -65.49462 -64.42672 1.06791 1.73833 -64.00505 370.69177
8340.0000 -65.65880 -63.75749 1.90130 1.74627 -63.93360 389.17820
8345.0000 -64.93193 -63.29333 1.63860 1.78627 -63.57358 438.71449
8350.0000 -65.23863 -63.51197 1.72666 1.82293 -63.24361 473.98739
8355.0000 -65.15377 -63.45189 1.70188 1.81664 -63.30025 473.02669
8360.0000 -65.21964 -63.88134 1.33830 1.77744 -63.65300 419.95450
8365.0000 -65.24490 -63.80963 1.43527 1.76817 -63.73644 406.63910
8370.0000 -65.17065 -63.23431 1.93634 1.77505 -63.67459 411.88178
8375.0000 -65.16673 -63.40078 1.76595 1.81164 -63.34526 458.29975
8380.0000 -65.51422 -64.17731 1.33691 1.75820 -63.82616 418.49010
8385.0000 -65.37229 -63.81508 1.55721 1.74547 -63.94074 384.11077
8390.0000 -64.90355 -63.58971 1.31385 1.77524 -63.67281 418.13938
8395.0000 -65.35311 -63.73572 1.61739 1.79520 -63.49316 440.80240
8400.0000 -65.23696 -63.73691 1.50005 1.76781 -63.73969 407.40167
8405.0000 -65.03570 -63.43181 1.60389 1.76396 -63.77433 406.55935
8410.0000 -64.61136 -63.15651 1.45485 1.81028 -63.35751 456.99577
8415.0000 -65.25607 -63.73358 1.52249 1.80866 -63.37207 450.16326
8420.0000 -65.16882 -63.38855 1.78028 1.77575 -63.66823 415.29579
8425.0000 -65.37382 -63.67620 1.69762 1.78950 -63.54453 431.63391
8430.0000 -64.96332 -63.47823 1.48509 1.81506 -63.31443 459.74098
8435.0000 -65.01690 -63.83060 1.18629 1.78571 -63.57862 427.19826
8440.0000 -64.64711 -63.20973 1.43737 1.78833 -63.55499 412.51827
8445.0000 -65.00405 -63.10547 1.89858 1.82707 -63.20635 483.41406
8450.0000 -65.48529 -64.08631 1.39899 1.81657 -63.30084 473.10927
8455.0000 -65.46537 -63.85044 1.61492 1.77909 -63.63820 415.93702
8460.0000 -64.96895 -63.83984 1.12911 1.76441 -63.77034 396.06194
8465.0000 -65.12557 -63.38101 1.74455 1.76728 -63.74444 395.34541
8470.0000 -64.84771 -63.58613 1.26159 1.80205 -63.43152 436.34631
8475.0000 -65.27141 -63.93227 1.33914 1.78780 -63.55984 426.42747
8480.0000 -64.81539 -63.46668 1.34871 1.75900 -63.81901 398.52366
8485.0000 -65.13737 -64.20612 0.93125 1.75608 -63.84530 392.61183
8490.0000 -65.30366 -63.75885 1.54481 1.74428 -63.95147 370.21265
8495.0000 -65.33276 -64.30540 1.02736 1.71219 -64.24025 330.53310
8500.0000 -65.28387 -63.97925 1.30462 1.75178 -63.88400 389.03777
FREEZING PROCESS: loop number 35 T-loop= 393.00000000000000
main_MD> interactions number 35 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32238 0.13661 1.01700
force_rgl> df(natom) 0.56496 0.43111 1.20215
8505.0000 -65.18649 -63.48823 1.69827 1.77092 -63.71170 421.48514
8510.0000 -64.63979 -63.56971 1.07008 1.75302 -63.87284 398.97122
8515.0000 -65.32181 -63.80408 1.51773 1.77482 -63.67658 428.34919
8520.0000 -65.47567 -64.10396 1.37170 1.74423 -63.95196 380.55076
8525.0000 -65.20205 -64.19580 1.00626 1.72081 -64.16274 357.40669
8530.0000 -65.46751 -64.25159 1.21593 1.71955 -64.17405 352.19188
8535.0000 -64.90925 -63.47885 1.43039 1.75066 -63.89406 389.16245
8540.0000 -65.06113 -63.45098 1.61015 1.79360 -63.50761 441.39873
8545.0000 -65.03969 -63.44707 1.59262 1.79173 -63.52442 436.29801
8550.0000 -65.63691 -64.24937 1.38755 1.76125 -63.79876 394.97099
8555.0000 -65.28601 -63.87138 1.41463 1.74874 -63.91130 387.76755
8560.0000 -64.93281 -63.39388 1.53893 1.80399 -63.41412 449.32709
8565.0000 -64.88403 -64.03746 0.84657 1.76532 -63.76213 410.62131
8570.0000 -65.27720 -64.23441 1.04279 1.73058 -64.07480 374.17032
8575.0000 -65.06932 -63.81186 1.25745 1.72085 -64.16238 364.25950
8580.0000 -65.06910 -63.60224 1.46686 1.76576 -63.75813 401.60806
8585.0000 -65.06192 -63.84277 1.21914 1.75437 -63.86066 375.77435
8590.0000 -65.23205 -63.70520 1.52684 1.76330 -63.78031 385.94804
8595.0000 -65.39020 -63.87889 1.51131 1.79336 -63.50977 443.14220
8600.0000 -64.88241 -63.22934 1.65307 1.77075 -63.71327 411.85907
8605.0000 -65.25997 -63.91229 1.34768 1.78277 -63.60510 414.45571
8610.0000 -65.47789 -64.14276 1.33513 1.74109 -63.98019 375.89194
8615.0000 -65.56689 -64.38752 1.17937 1.72761 -64.10148 361.57177
8620.0000 -64.99439 -63.48649 1.50790 1.75665 -63.84017 390.35910
8625.0000 -64.97230 -63.59063 1.38167 1.79951 -63.45440 437.93592
8630.0000 -65.16249 -63.53176 1.63073 1.77503 -63.67473 405.36829
8635.0000 -65.21930 -63.45603 1.76327 1.78856 -63.55293 432.87676
8640.0000 -64.84588 -63.31054 1.53534 1.79647 -63.48177 447.68450
8645.0000 -65.13290 -64.13688 0.99602 1.74997 -63.90025 394.89499
8650.0000 -64.84769 -63.12130 1.72639 1.79939 -63.45546 467.74883
8655.0000 -65.25339 -63.56829 1.68510 1.78873 -63.55147 427.32834
8660.0000 -65.51455 -64.02382 1.49073 1.78076 -63.62320 425.49617
8665.0000 -65.42646 -63.98922 1.43724 1.75857 -63.82290 399.34254
8670.0000 -65.46038 -64.26374 1.19664 1.75709 -63.83619 405.08997
8675.0000 -65.46760 -64.10686 1.36075 1.71156 -64.24593 341.59169
8680.0000 -65.60731 -64.20409 1.40321 1.74466 -63.94808 378.57639
8685.0000 -64.90236 -63.42641 1.47594 1.74114 -63.97977 375.80115
8690.0000 -65.33296 -63.74977 1.58319 1.76999 -63.72006 409.81781
8695.0000 -64.93578 -63.51098 1.42480 1.77626 -63.66365 406.62600
8700.0000 -65.58441 -64.21479 1.36961 1.74798 -63.91818 376.87121
8705.0000 -65.35921 -64.15864 1.20056 1.72194 -64.15257 365.03976
8710.0000 -64.96463 -63.56881 1.39582 1.75888 -63.82005 400.25780
8715.0000 -65.58149 -63.78377 1.79772 1.75783 -63.82955 408.55070
8720.0000 -65.32615 -64.02970 1.29645 1.74437 -63.95071 385.69157
8725.0000 -65.38775 -64.12060 1.26716 1.74367 -63.95698 388.79621
8730.0000 -65.43578 -64.40260 1.03318 1.71577 -64.20810 351.10006
8735.0000 -65.34969 -63.95924 1.39046 1.71456 -64.21893 343.18297
8740.0000 -65.32549 -64.07778 1.24771 1.71442 -64.22024 349.65998
8745.0000 -64.45730 -63.16241 1.29490 1.77635 -63.66285 416.40259
8750.0000 -64.69994 -63.37700 1.32294 1.81009 -63.35916 423.86153
FREEZING PROCESS: loop number 36 T-loop= 368.00000000000000
main_MD> interactions number 36 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.10738 2.13776 0.79108
force_rgl> df(natom) -0.43425 2.69107 -1.92397
8755.0000 -65.35230 -63.81079 1.54151 1.79067 -63.53395 428.62746
8760.0000 -65.28698 -63.99302 1.29396 1.73730 -64.01431 388.47274
8765.0000 -65.57031 -64.35189 1.21842 1.72044 -64.16608 358.00521
8770.0000 -65.40562 -64.19389 1.21173 1.71554 -64.21010 338.05433
8775.0000 -65.41421 -64.33493 1.07928 1.72817 -64.09650 371.94131
8780.0000 -65.64635 -64.36264 1.28371 1.70035 -64.34687 327.16439
8785.0000 -65.21194 -64.13415 1.07779 1.71238 -64.23862 339.42661
8790.0000 -65.64202 -64.42603 1.21599 1.71071 -64.25362 340.24740
8795.0000 -65.75049 -64.50799 1.24250 1.69267 -64.41593 323.73742
8800.0000 -65.66517 -64.30264 1.36252 1.70001 -64.34993 320.10671
8805.0000 -65.41958 -63.93622 1.48335 1.70591 -64.29681 333.50434
8810.0000 -65.42650 -64.07061 1.35589 1.72073 -64.16341 353.45676
8815.0000 -65.34044 -63.72824 1.61220 1.77829 -63.64540 424.59481
8820.0000 -65.36232 -64.19530 1.16702 1.71635 -64.20284 348.24685
8825.0000 -65.14017 -63.50100 1.63917 1.75147 -63.88677 395.04920
8830.0000 -65.45198 -64.11054 1.34144 1.75078 -63.89297 388.90259
8835.0000 -65.22474 -63.96543 1.25931 1.70488 -64.30605 349.23451
8840.0000 -65.22385 -63.82543 1.39842 1.73948 -63.99467 384.91771
8845.0000 -65.18265 -63.68958 1.49307 1.76381 -63.77569 405.20982
8850.0000 -65.44504 -64.08839 1.35665 1.72572 -64.11852 363.23292
8855.0000 -65.21602 -64.20089 1.01513 1.75638 -63.84257 390.77622
8860.0000 -64.96442 -63.63658 1.32784 1.74274 -63.96535 370.92557
8865.0000 -64.84736 -63.59169 1.25567 1.78962 -63.54339 410.79835
8870.0000 -65.10342 -63.89232 1.21110 1.75391 -63.86479 382.35257
8875.0000 -64.45457 -63.04615 1.40842 1.78415 -63.59268 419.08262
8880.0000 -65.15877 -63.78661 1.37216 1.79229 -63.51941 428.31773
8885.0000 -65.09014 -63.75611 1.33403 1.78366 -63.59708 414.12255
8890.0000 -65.34545 -64.04548 1.29997 1.73506 -64.03446 374.27470
8895.0000 -65.88199 -64.50905 1.37293 1.70062 -64.34442 333.92211
8900.0000 -65.60823 -64.34856 1.25967 1.69119 -64.42927 321.33381
8905.0000 -65.51237 -64.27345 1.23891 1.70871 -64.27158 326.68358
8910.0000 -65.28231 -64.05672 1.22558 1.72101 -64.16089 335.60018
8915.0000 -65.39207 -64.17737 1.21470 1.72380 -64.13578 356.19456
8920.0000 -65.52302 -64.29376 1.22926 1.71747 -64.19279 335.23074
8925.0000 -65.49289 -63.98396 1.50893 1.71476 -64.21712 342.63001
8930.0000 -65.36111 -64.11969 1.24142 1.74070 -63.98371 385.21313
8935.0000 -65.47977 -64.23264 1.24713 1.73714 -64.01570 365.83967
8940.0000 -65.32383 -64.15497 1.16886 1.73354 -64.04811 351.69855
8945.0000 -64.87010 -63.82432 1.04578 1.71540 -64.21137 352.20098
8950.0000 -65.04315 -63.65299 1.39017 1.75639 -63.84250 394.66473
8955.0000 -65.50098 -64.40444 1.09654 1.75802 -63.82783 401.53262
8960.0000 -65.36961 -64.35632 1.01329 1.68725 -64.46473 317.21608
8965.0000 -65.35808 -64.01677 1.34131 1.72987 -64.08119 370.59797
8970.0000 -65.44858 -64.12446 1.32411 1.70315 -64.32165 336.61281
8975.0000 -64.57156 -63.46364 1.10791 1.75010 -63.89909 393.31205
8980.0000 -65.56142 -64.21566 1.34577 1.74608 -63.93530 387.54357
8985.0000 -65.12632 -63.89182 1.23450 1.72794 -64.09857 357.08209
8990.0000 -65.52857 -64.25267 1.27590 1.73205 -64.06153 355.32022
8995.0000 -65.45168 -64.31578 1.13590 1.70367 -64.31697 328.74247
9000.0000 -65.52237 -64.21649 1.30587 1.70313 -64.32187 334.24917
FREEZING PROCESS: loop number 37 T-loop= 343.00000000000000
main_MD> interactions number 37 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04456 -2.00099 -1.09447
force_rgl> df(natom) -1.53896 0.06539 0.60010
9005.0000 -65.08400 -63.76952 1.31447 1.71531 -64.21223 340.64643
9010.0000 -65.58334 -64.34539 1.23794 1.70196 -64.33237 336.72499
9015.0000 -65.51425 -64.36310 1.15115 1.70936 -64.26573 344.53767
9020.0000 -65.50874 -64.11640 1.39234 1.71144 -64.24703 347.27108
9025.0000 -65.66197 -64.39227 1.26970 1.70700 -64.28702 337.70977
9030.0000 -65.26959 -64.19945 1.07015 1.71217 -64.24043 340.85211
9035.0000 -65.52038 -64.46882 1.05156 1.69151 -64.42645 303.00361
9040.0000 -65.57597 -64.31397 1.26200 1.68957 -64.44385 308.55122
9045.0000 -65.39856 -64.14960 1.24897 1.68958 -64.44382 315.83826
9050.0000 -65.77756 -64.06915 1.70841 1.70861 -64.27253 340.24902
9055.0000 -65.48988 -64.44552 1.04436 1.71395 -64.22447 349.03244
9060.0000 -65.63653 -64.47090 1.16563 1.69940 -64.35544 349.24728
9065.0000 -65.27491 -64.02735 1.24757 1.72779 -64.09987 364.31186
9070.0000 -65.20366 -63.90573 1.29794 1.74675 -63.92923 377.40573
9075.0000 -65.34303 -63.94847 1.39456 1.74652 -63.93136 394.31298
9080.0000 -65.54644 -63.72094 1.82550 1.78176 -63.61419 434.34727
9085.0000 -65.67904 -64.77622 0.90282 1.69264 -64.41622 323.41139
9090.0000 -65.67595 -64.40305 1.27290 1.67742 -64.55323 305.58912
9095.0000 -65.40354 -63.88561 1.51792 1.73729 -64.01442 368.83423
9100.0000 -65.40186 -64.24421 1.15765 1.72327 -64.14056 355.76604
9105.0000 -65.12118 -64.13758 0.98360 1.73720 -64.01520 377.87526
9110.0000 -65.38238 -64.32429 1.05809 1.71014 -64.25873 332.65805
9115.0000 -65.67264 -64.73123 0.94141 1.68239 -64.50847 293.73502
9120.0000 -65.35214 -64.17532 1.17682 1.70069 -64.34375 307.91101
9125.0000 -65.37019 -63.94961 1.42058 1.76410 -63.77314 391.16330
9130.0000 -65.01724 -63.72924 1.28801 1.77219 -63.70030 395.06365
9135.0000 -64.84353 -63.78063 1.06290 1.73063 -64.07432 353.98305
9140.0000 -65.26028 -63.89408 1.36620 1.75570 -63.84874 379.53723
9145.0000 -65.45515 -64.23810 1.21705 1.76033 -63.80707 397.95007
9150.0000 -65.13805 -64.06877 1.06928 1.73888 -64.00010 377.20541
9155.0000 -65.48421 -64.46561 1.01860 1.70228 -64.32952 334.30644
9160.0000 -65.25749 -64.26673 0.99077 1.70725 -64.28475 325.41203
9165.0000 -65.31170 -64.42129 0.89042 1.70552 -64.30033 329.34416
9170.0000 -65.18706 -63.90672 1.28034 1.74509 -63.94416 378.85035
9175.0000 -65.19831 -63.77772 1.42059 1.73200 -64.06202 360.34627
9180.0000 -65.29848 -64.25407 1.04441 1.75173 -63.88447 379.42629
9185.0000 -65.55021 -64.68619 0.86402 1.68507 -64.48439 312.51954
9190.0000 -65.21370 -64.04458 1.16912 1.68010 -64.52909 309.07983
9195.0000 -65.42720 -64.02288 1.40432 1.75596 -63.84634 393.49478
9200.0000 -65.46886 -63.93846 1.53040 1.72338 -64.13954 365.33737
9205.0000 -65.81084 -64.56759 1.24326 1.73874 -64.00130 375.51355
9210.0000 -65.61788 -64.75703 0.86085 1.66240 -64.68840 268.43465
9215.0000 -65.50946 -64.65533 0.85413 1.66329 -64.68038 270.53875
9220.0000 -65.38183 -64.47052 0.91131 1.67397 -64.58430 289.54202
9225.0000 -65.08407 -63.79792 1.28615 1.72581 -64.11773 360.05740
9230.0000 -65.35985 -63.91400 1.44585 1.72999 -64.08012 367.32021
9235.0000 -65.37885 -63.74887 1.62998 1.75446 -63.85986 391.22567
9240.0000 -65.11971 -64.09623 1.02348 1.74031 -63.98718 378.16680
9245.0000 -64.93253 -63.71183 1.22069 1.72352 -64.13836 360.38422
9250.0000 -65.26210 -64.15332 1.10877 1.74546 -63.94086 385.76052
FREEZING PROCESS: loop number 38 T-loop= 318.00000000000000
main_MD> interactions number 38 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33663 2.04071 -4.30401
force_rgl> df(natom) -1.06936 -0.57217 -1.95756
9255.0000 -65.62356 -64.32979 1.29376 1.70801 -64.27791 329.56471
9260.0000 -65.76895 -64.64517 1.12378 1.70153 -64.33627 320.78962
9265.0000 -65.82737 -65.05772 0.76965 1.65996 -64.71032 282.34907
9270.0000 -65.77980 -64.73766 1.04214 1.63334 -64.94992 247.61103
9275.0000 -65.69820 -64.68896 1.00924 1.65460 -64.75862 278.69814
9280.0000 -65.52152 -64.64996 0.87156 1.65368 -64.76690 267.50435
9285.0000 -65.42631 -64.25375 1.17256 1.67638 -64.56259 291.89380
9290.0000 -65.63641 -64.47171 1.16469 1.68635 -64.47283 303.14420
9295.0000 -65.37270 -64.22098 1.15172 1.70596 -64.29634 328.75324
9300.0000 -65.58562 -64.35897 1.22666 1.72536 -64.12172 364.24491
9305.0000 -65.60304 -64.62324 0.97980 1.68591 -64.47681 316.08596
9310.0000 -65.36782 -64.22301 1.14481 1.71623 -64.20395 356.63729
9315.0000 -65.39445 -64.06104 1.33340 1.71468 -64.21789 347.81637
9320.0000 -65.32309 -64.37453 0.94855 1.72425 -64.13173 361.05281
9325.0000 -65.55132 -64.38864 1.16268 1.68595 -64.47645 313.41316
9330.0000 -65.48498 -64.34259 1.14239 1.71647 -64.20179 351.04232
9335.0000 -65.36725 -64.35133 1.01592 1.72701 -64.10689 370.34895
9340.0000 -65.51549 -64.29705 1.21843 1.70809 -64.27723 338.00416
9345.0000 -65.45490 -63.95227 1.50263 1.72595 -64.11649 344.19031
9350.0000 -65.17642 -63.83550 1.34092 1.76368 -63.77686 402.05025
9355.0000 -65.64943 -64.21050 1.43893 1.77548 -63.67066 420.63915
9360.0000 -65.83558 -64.76830 1.06728 1.67245 -64.59796 295.60259
9365.0000 -65.47268 -64.38750 1.08518 1.68925 -64.44673 310.89786
9370.0000 -65.45453 -63.99150 1.46303 1.72975 -64.08225 364.32234
9375.0000 -65.57106 -64.54316 1.02790 1.71055 -64.25506 337.60252
9380.0000 -65.46317 -64.29116 1.17201 1.68613 -64.47484 319.84398
9385.0000 -65.51856 -64.10580 1.41276 1.72002 -64.16984 364.34215
9390.0000 -65.58373 -64.41174 1.17199 1.70904 -64.26861 348.28654
9395.0000 -65.54776 -64.14160 1.40616 1.70194 -64.33257 330.61729
9400.0000 -65.48594 -64.49505 0.99089 1.70666 -64.29008 334.64619
9405.0000 -65.34751 -64.05110 1.29641 1.69015 -64.43868 321.32305
9410.0000 -65.67448 -64.36633 1.30815 1.72849 -64.09356 355.38289
9415.0000 -65.77253 -64.71086 1.06167 1.68177 -64.51411 304.26544
9420.0000 -65.41620 -64.32490 1.09130 1.67877 -64.54107 299.93172
9425.0000 -65.50787 -64.65897 0.84890 1.68478 -64.48695 308.99330
9430.0000 -65.33902 -64.50216 0.83686 1.68316 -64.50155 312.31048
9435.0000 -65.64809 -64.56222 1.08587 1.66153 -64.69622 280.66680
9440.0000 -65.33660 -64.32823 1.00837 1.68671 -64.46961 303.41741
9445.0000 -65.30408 -63.80593 1.49815 1.72021 -64.16811 355.44426
9450.0000 -65.93722 -64.91099 1.02624 1.70040 -64.34644 333.57949
9455.0000 -65.48198 -64.31235 1.16963 1.68215 -64.51068 314.00037
9460.0000 -65.50047 -64.47012 1.03035 1.69465 -64.39816 328.76543
9465.0000 -65.56696 -64.29599 1.27097 1.69388 -64.40512 320.30255
9470.0000 -65.45374 -64.66326 0.79048 1.70413 -64.31283 308.98081
9475.0000 -65.53437 -64.51050 1.02386 1.66604 -64.65563 280.96590
9480.0000 -65.55132 -64.48747 1.06385 1.68584 -64.47742 313.80823
9485.0000 -65.47947 -64.37894 1.10052 1.69537 -64.39163 315.61477
9490.0000 -65.75755 -64.63536 1.12218 1.69030 -64.43728 314.57083
9495.0000 -65.46445 -64.25543 1.20902 1.67287 -64.59415 295.83610
9500.0000 -65.88949 -64.92058 0.96892 1.68457 -64.48885 312.01645
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 34.6786602 [s].
main_MD> Deallocating global variables
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