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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_19/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_19.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 19 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 19 1900
main_MD> Size of nv and nvoiz: 19 1900
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 19
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -9.8162173807164327E-003 -0.10945285968195338 -0.22744381368928626 initial drift of cluster / NP1 for coalescence
init> 0.41981057082387363 0.38309834368349210 0.24971577235208409 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8306882990729882E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50807 1.28835 2.89540
force_rgl> df(natom) -0.52169 -2.62050 1.08479
preparo> THERMALIZATION PROCESS AT 1278.1463677475090
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -37.676344502600607 4.3793477672736945 -42.055692269874299 5.9692858651882899E-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= 1248.0000000000000
main_MD> interactions number 1 at Temperature= 1248.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30047 -0.75561 1.12925
force_rgl> df(natom) -2.01680 -0.12448 -1.07629
5.0000 -41.79159 -39.06272 2.72887 2.41891 -38.82644 1119.83643
10.0000 -41.68591 -38.81354 2.87237 2.41534 -38.85192 1103.82825
15.0000 -41.14848 -38.42860 2.71988 2.44101 -38.66909 1135.85933
20.0000 -42.45858 -39.50567 2.95291 2.40036 -38.95856 1154.91000
25.0000 -41.89077 -38.55831 3.33246 2.42458 -38.78611 1235.84839
30.0000 -42.08679 -39.08061 3.00618 2.49093 -38.31364 1253.54267
35.0000 -42.34396 -40.03481 2.30916 2.24037 -40.09773 953.37033
40.0000 -42.40305 -39.90244 2.50061 2.26179 -39.94523 1064.56412
45.0000 -41.06629 -38.14649 2.91980 2.37675 -39.12667 1134.39663
50.0000 -41.64400 -38.43724 3.20677 2.42741 -38.76596 1190.45097
55.0000 -41.03420 -38.38936 2.64484 2.61795 -37.40924 1347.94119
60.0000 -41.48744 -39.15988 2.32756 2.35888 -39.25393 1122.46271
65.0000 -42.28639 -39.58909 2.69730 2.41674 -38.84194 1183.32860
70.0000 -41.37276 -38.27111 3.10164 2.35298 -39.29593 1141.71751
75.0000 -40.35699 -37.54190 2.81510 2.58514 -37.64283 1325.63678
80.0000 -41.11120 -36.70485 4.40635 2.59591 -37.56614 1253.77667
85.0000 -40.70847 -37.56366 3.14481 2.55738 -37.84048 1314.70767
90.0000 -41.62448 -38.66383 2.96065 2.53840 -37.97568 1303.91945
95.0000 -40.79676 -38.98053 1.81623 2.37102 -39.16748 1128.88335
100.0000 -41.70004 -38.80681 2.89323 2.42790 -38.76243 1140.59293
105.0000 -41.38736 -39.15653 2.23083 2.45877 -38.54266 1163.52983
110.0000 -40.49897 -37.29128 3.20769 2.62034 -37.39220 1383.00081
115.0000 -42.06533 -38.43859 3.62674 2.50860 -38.18785 1197.28819
120.0000 -41.44155 -39.03096 2.41059 2.42314 -38.79634 1095.08762
125.0000 -41.73687 -39.21723 2.51963 2.35659 -39.27022 1065.61864
130.0000 -41.44504 -38.51030 2.93474 2.43738 -38.69493 1123.20528
135.0000 -41.46807 -38.45421 3.01386 2.45207 -38.59035 1225.04897
140.0000 -41.47063 -39.09087 2.37975 2.42820 -38.76029 1209.67194
145.0000 -40.93940 -37.55396 3.38544 2.45694 -38.55571 1239.48492
150.0000 -41.84442 -39.09856 2.74586 2.43897 -38.68366 1209.78875
155.0000 -41.61516 -38.62587 2.98929 2.46934 -38.46736 1209.07178
160.0000 -40.20968 -37.40572 2.80396 2.51960 -38.10953 1289.24705
165.0000 -41.83399 -39.30512 2.52887 2.51469 -38.14451 1229.29533
170.0000 -41.52248 -38.70948 2.81301 2.35870 -39.25520 1041.52760
175.0000 -42.12365 -38.48214 3.64151 2.45393 -38.57711 1257.45014
180.0000 -41.24955 -38.50927 2.74028 2.42964 -38.75005 1179.12561
185.0000 -41.44759 -39.48088 1.96671 2.37937 -39.10802 1127.90905
190.0000 -41.19236 -37.73626 3.45610 2.39335 -39.00846 1166.45863
195.0000 -41.75766 -38.98930 2.76836 2.46783 -38.47817 1183.62382
200.0000 -41.36492 -39.00735 2.35756 2.40150 -38.95043 1175.71468
205.0000 -42.26304 -39.53241 2.73063 2.40580 -38.91982 1115.04144
210.0000 -42.09094 -38.32738 3.76356 2.35055 -39.31322 1097.52943
215.0000 -40.21003 -37.16421 3.04582 2.53213 -38.02030 1292.21922
220.0000 -41.39401 -38.17983 3.21418 2.55359 -37.86748 1255.75039
225.0000 -41.16196 -39.39503 1.76693 2.41622 -38.84566 1125.14105
230.0000 -42.27231 -39.84969 2.42263 2.28648 -39.76940 929.67349
235.0000 -41.79145 -39.05716 2.73429 2.28077 -39.81009 1044.36705
240.0000 -41.08058 -37.39439 3.68619 2.59339 -37.58413 1425.35955
245.0000 -39.76142 -36.68637 3.07505 2.71133 -36.74435 1403.47802
250.0000 -40.66200 -37.83252 2.82948 2.61234 -37.44915 1352.78022
FREEZING PROCESS: loop number 2 T-loop= 1223.0000000000000
main_MD> interactions number 2 at Temperature= 1223.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47681 0.09442 -2.24904
force_rgl> df(natom) -1.23286 -0.46804 -2.14640
255.0000 -41.92330 -38.32153 3.60177 2.55287 -37.87262 1356.32184
260.0000 -39.38515 -36.36443 3.02072 2.61004 -37.46559 1426.74315
265.0000 -41.02225 -37.34391 3.67834 2.64511 -37.21583 1467.32229
270.0000 -41.37322 -38.60470 2.76852 2.53359 -38.00992 1226.99419
275.0000 -40.94831 -38.32406 2.62425 2.42933 -38.75230 1148.83224
280.0000 -41.65465 -39.44497 2.20968 2.37528 -39.13715 1090.54279
285.0000 -42.61640 -39.55622 3.06017 2.28537 -39.77730 1032.78206
290.0000 -41.71425 -39.08933 2.62492 2.36756 -39.19210 1107.12019
295.0000 -42.19757 -39.31806 2.87951 2.37564 -39.13458 1177.10184
300.0000 -42.61838 -39.55570 3.06268 2.34390 -39.36055 1074.30752
305.0000 -42.46301 -39.13765 3.32536 2.41827 -38.83102 1200.37234
310.0000 -41.28358 -39.15764 2.12594 2.40790 -38.90486 1190.65437
315.0000 -41.64586 -38.65133 2.99453 2.49071 -38.31524 1212.97778
320.0000 -40.81936 -37.78066 3.03870 2.44201 -38.66199 1147.48090
325.0000 -41.43654 -38.33367 3.10288 2.58704 -37.62932 1405.26380
330.0000 -40.98639 -38.22213 2.76426 2.48779 -38.33602 1246.82662
335.0000 -41.83150 -38.97605 2.85546 2.43981 -38.67768 1108.53048
340.0000 -41.79907 -38.35886 3.44021 2.50821 -38.19063 1323.08834
345.0000 -42.23013 -39.79138 2.43875 2.29476 -39.71045 982.36963
350.0000 -41.16803 -38.76319 2.40484 2.37916 -39.10953 1144.96094
355.0000 -41.65308 -38.49374 3.15934 2.48917 -38.32617 1262.28707
360.0000 -41.85521 -38.25023 3.60498 2.52490 -38.07177 1303.37173
365.0000 -41.79084 -38.85579 2.93506 2.44224 -38.66034 1267.77734
370.0000 -42.14980 -39.37454 2.77526 2.36346 -39.22128 1105.11371
375.0000 -42.31830 -40.05322 2.26508 2.36934 -39.17943 1187.81838
380.0000 -40.91303 -38.08533 2.82771 2.29915 -39.67923 1118.52851
385.0000 -40.51284 -37.93529 2.57755 2.44517 -38.63947 1178.71413
390.0000 -40.29108 -36.91423 3.37685 2.54670 -37.91659 1187.95003
395.0000 -40.57773 -37.03369 3.54405 2.69248 -36.87854 1485.48760
400.0000 -42.04850 -38.63805 3.41046 2.55407 -37.86410 1325.60128
405.0000 -41.25593 -37.68137 3.57456 2.43568 -38.70708 1220.88697
410.0000 -41.56533 -38.68564 2.87969 2.45481 -38.57084 1279.47534
415.0000 -43.14826 -40.07101 3.07726 2.35584 -39.27554 1076.38919
420.0000 -42.50097 -39.40367 3.09731 2.31352 -39.57687 1122.72916
425.0000 -42.74330 -39.27218 3.47112 2.34443 -39.35681 1054.09443
430.0000 -42.10786 -39.74430 2.36356 2.36026 -39.24409 1114.49756
435.0000 -41.79949 -38.89568 2.90381 2.33489 -39.42470 1112.43957
440.0000 -40.24277 -37.73783 2.50494 2.47794 -38.40617 1222.76229
445.0000 -41.67451 -37.91327 3.76124 2.49898 -38.25637 1250.15108
450.0000 -41.22226 -38.56645 2.65581 2.50773 -38.19402 1236.83791
455.0000 -41.97567 -39.24852 2.72714 2.46381 -38.50676 1183.68526
460.0000 -41.52586 -38.70016 2.82570 2.38440 -39.07221 1152.45606
465.0000 -42.00654 -39.23318 2.77335 2.35926 -39.25124 1081.41051
470.0000 -39.69858 -37.33856 2.36002 2.49398 -38.29194 1219.50472
475.0000 -41.15146 -39.30650 1.84496 2.44621 -38.63208 1134.68938
480.0000 -42.43801 -39.73210 2.70592 2.42164 -38.80702 1118.11928
485.0000 -42.43444 -39.37251 3.06193 2.31293 -39.58111 1024.67827
490.0000 -41.25924 -38.05667 3.20257 2.38512 -39.06705 1081.09896
495.0000 -41.90339 -38.87366 3.02973 2.54106 -37.95672 1312.35741
500.0000 -41.77446 -38.55515 3.21931 2.44140 -38.66631 1243.90148
FREEZING PROCESS: loop number 3 T-loop= 1198.0000000000000
main_MD> interactions number 3 at Temperature= 1198.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38280 -1.84421 -3.54263
force_rgl> df(natom) 3.32967 -6.94418 -2.45959
505.0000 -41.71585 -39.13689 2.57896 2.32452 -39.49856 1093.69593
510.0000 -41.56397 -38.79810 2.76587 2.38540 -39.06507 1098.23079
515.0000 -40.13272 -37.55844 2.57428 2.43326 -38.72430 1142.07795
520.0000 -41.46189 -39.03239 2.42950 2.48757 -38.33760 1354.49811
525.0000 -41.59646 -39.05227 2.54419 2.36756 -39.19213 1152.02952
530.0000 -41.35340 -38.49960 2.85380 2.45636 -38.55984 1235.13521
535.0000 -42.33077 -37.50055 4.83022 2.48337 -38.36746 1244.36003
540.0000 -40.19603 -36.90893 3.28710 2.61824 -37.40717 1354.32955
545.0000 -40.11936 -36.36925 3.75010 2.67509 -37.00239 1369.97560
550.0000 -40.55708 -38.14196 2.41512 2.65380 -37.15400 1371.40557
555.0000 -39.95218 -37.50131 2.45087 2.56231 -37.80539 1244.94696
560.0000 -40.45862 -36.19158 4.26703 2.59404 -37.57948 1354.01343
565.0000 -41.27000 -37.64864 3.62135 2.65339 -37.15686 1393.56539
570.0000 -41.91718 -39.02779 2.88939 2.44803 -38.61913 1170.52760
575.0000 -42.26673 -39.31561 2.95112 2.45840 -38.54526 1207.23892
580.0000 -41.91855 -39.38908 2.52947 2.37191 -39.16109 1013.74059
585.0000 -41.32457 -39.40600 1.91856 2.33458 -39.42693 1046.93434
590.0000 -42.29568 -38.90569 3.38999 2.42807 -38.76122 1177.69125
595.0000 -41.30545 -37.93931 3.36614 2.50985 -38.17892 1335.94857
600.0000 -41.12536 -37.46032 3.66505 2.57728 -37.69884 1336.77908
605.0000 -40.54708 -38.07435 2.47273 2.59282 -37.58818 1345.93701
610.0000 -40.65263 -37.47364 3.17899 2.66085 -37.10380 1352.61280
615.0000 -41.61499 -37.71932 3.89568 2.64456 -37.21977 1332.98752
620.0000 -41.87156 -38.68820 3.18336 2.56523 -37.78461 1305.26976
625.0000 -41.41618 -38.22918 3.18700 2.44590 -38.63430 1129.29404
630.0000 -41.03167 -38.54826 2.48341 2.47944 -38.39548 1244.75520
635.0000 -41.03134 -38.32009 2.71125 2.44481 -38.64209 1235.00361
640.0000 -41.66842 -38.25109 3.41733 2.45527 -38.56758 1199.98678
645.0000 -40.71213 -37.86026 2.85187 2.61437 -37.43470 1383.54758
650.0000 -42.23213 -39.28999 2.94214 2.45305 -38.58336 1172.02965
655.0000 -41.07667 -38.39512 2.68156 2.39279 -39.01244 1064.17493
660.0000 -40.43476 -38.14093 2.29383 2.42167 -38.80678 1165.69596
665.0000 -41.71814 -38.17486 3.54328 2.46658 -38.48705 1080.01047
670.0000 -40.46540 -36.83880 3.62660 2.58539 -37.64107 1262.96791
675.0000 -41.16138 -36.65300 4.50838 2.65526 -37.14354 1306.87034
680.0000 -40.82909 -38.32652 2.50257 2.63099 -37.31640 1364.24269
685.0000 -42.52173 -39.68643 2.83530 2.44197 -38.66225 1268.76198
690.0000 -42.94323 -40.61717 2.32605 2.27133 -39.87729 1014.33448
695.0000 -42.28086 -39.09984 3.18102 2.24888 -40.03712 994.01704
700.0000 -42.27583 -39.82895 2.44688 2.37380 -39.14768 1135.33466
705.0000 -41.85374 -39.10452 2.74922 2.29815 -39.68635 1002.91330
710.0000 -42.90515 -40.51491 2.39024 2.31567 -39.56157 1045.15482
715.0000 -42.09388 -39.24792 2.84596 2.22475 -40.20899 939.60897
720.0000 -41.88583 -39.25889 2.62694 2.37509 -39.13850 1159.30508
725.0000 -42.45752 -39.30211 3.15541 2.41503 -38.85412 1173.59940
730.0000 -42.59966 -39.43361 3.16605 2.31708 -39.55156 1059.66529
735.0000 -42.55573 -39.58148 2.97425 2.26741 -39.90517 1001.07942
740.0000 -42.45650 -39.70647 2.75003 2.32328 -39.50736 1017.72438
745.0000 -41.52489 -39.06642 2.45847 2.24162 -40.08882 980.64809
750.0000 -41.74611 -37.47389 4.27222 2.39290 -39.01169 1161.09398
FREEZING PROCESS: loop number 4 T-loop= 1173.0000000000000
main_MD> interactions number 4 at Temperature= 1173.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70870 -0.85508 0.24419
force_rgl> df(natom) 0.87176 -2.34189 1.25208
755.0000 -41.70915 -38.36485 3.34430 2.57454 -37.71835 1274.74080
760.0000 -41.91846 -39.69907 2.21939 2.40087 -38.95489 1192.63124
765.0000 -41.04903 -38.77763 2.27140 2.40366 -38.93509 1151.98865
770.0000 -41.43883 -39.43164 2.00719 2.45152 -38.59424 1172.76806
775.0000 -41.43456 -38.71534 2.71923 2.36232 -39.22940 1105.62322
780.0000 -40.78485 -38.35248 2.43238 2.50274 -38.22957 1259.54597
785.0000 -41.81735 -39.46862 2.34874 2.40608 -38.91781 1194.05854
790.0000 -42.18151 -40.51732 1.66419 2.24416 -40.07075 968.56748
795.0000 -42.22844 -39.61900 2.60944 2.23284 -40.15137 1001.53799
800.0000 -42.55304 -39.13654 3.41650 2.34838 -39.32869 1136.44120
805.0000 -41.00457 -38.33058 2.67399 2.45732 -38.55297 1236.22401
810.0000 -41.17549 -37.71222 3.46327 2.55480 -37.85887 1299.79007
815.0000 -39.88336 -36.52649 3.35687 2.70752 -36.77145 1388.80120
820.0000 -39.16143 -36.17571 2.98573 2.70229 -36.80867 1386.19087
825.0000 -42.37479 -39.23952 3.13527 2.44141 -38.66625 1154.03708
830.0000 -41.68326 -38.00644 3.67682 2.52593 -38.06445 1285.34282
835.0000 -40.60675 -37.30173 3.30503 2.59386 -37.58077 1326.14883
840.0000 -41.13319 -37.47131 3.66188 2.63216 -37.30803 1409.78885
845.0000 -41.13053 -37.29223 3.83831 2.59587 -37.56646 1348.31364
850.0000 -41.57820 -38.28463 3.29357 2.72671 -36.63481 1505.02763
855.0000 -41.85872 -37.97812 3.88060 2.50223 -38.23321 1270.46070
860.0000 -41.97302 -38.78369 3.18933 2.41255 -38.87174 1149.95459
865.0000 -42.27368 -39.60526 2.66841 2.34670 -39.34066 1063.23078
870.0000 -42.30199 -38.62790 3.67409 2.35362 -39.29133 1068.64507
875.0000 -41.31792 -38.06599 3.25193 2.42561 -38.77875 1126.64958
880.0000 -40.18082 -36.97933 3.20150 2.59336 -37.58431 1358.49847
885.0000 -41.04358 -37.84769 3.19589 2.67001 -37.03851 1462.12892
890.0000 -43.21737 -39.67570 3.54167 2.37035 -39.17223 1123.89644
895.0000 -41.97770 -39.61675 2.36095 2.29593 -39.70211 994.79735
900.0000 -43.16055 -39.53169 3.62886 2.35671 -39.26936 1139.49306
905.0000 -40.88302 -37.91590 2.96712 2.40866 -38.89949 1109.57031
910.0000 -41.15744 -38.61200 2.54544 2.44292 -38.65551 1131.44039
915.0000 -42.16328 -38.28915 3.87413 2.51209 -38.16300 1239.76633
920.0000 -40.75145 -37.34337 3.40808 2.47193 -38.44894 1239.45354
925.0000 -41.11145 -37.30064 3.81081 2.69929 -36.83009 1409.52596
930.0000 -41.49666 -38.77315 2.72352 2.54953 -37.89637 1257.48979
935.0000 -42.48629 -39.27337 3.21291 2.44605 -38.63324 1104.70895
940.0000 -43.12934 -40.68702 2.44232 2.29507 -39.70828 1035.57560
945.0000 -40.94855 -37.93261 3.01593 2.34949 -39.32076 1099.28318
950.0000 -43.03585 -39.94503 3.09082 2.43030 -38.74534 1189.52884
955.0000 -42.54395 -38.92470 3.61925 2.27961 -39.81834 1004.39490
960.0000 -40.23108 -37.40256 2.82852 2.53375 -38.00876 1384.66727
965.0000 -41.07338 -37.98516 3.08821 2.64548 -37.21322 1391.03119
970.0000 -41.40149 -37.34479 4.05670 2.62616 -37.35074 1406.92458
975.0000 -42.33094 -37.31277 5.01817 2.65596 -37.13861 1356.67063
980.0000 -41.53669 -38.15959 3.37710 2.52390 -38.07891 1268.94268
985.0000 -40.61717 -38.64401 1.97316 2.44461 -38.64345 1183.30245
990.0000 -41.08410 -38.35982 2.72428 2.43120 -38.73896 1153.74215
995.0000 -40.94338 -37.19546 3.74793 2.48363 -38.36562 1239.74149
1000.0000 -40.41478 -38.20185 2.21292 2.60887 -37.47390 1332.08589
FREEZING PROCESS: loop number 5 T-loop= 1148.0000000000000
main_MD> interactions number 5 at Temperature= 1148.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.75035 -2.03909 -3.00980
force_rgl> df(natom) 2.07146 -0.19291 -0.48852
1005.0000 -40.97648 -38.68788 2.28861 2.49356 -38.29493 1168.30222
1010.0000 -41.95019 -39.14528 2.80491 2.43877 -38.68506 1186.65799
1015.0000 -41.62694 -38.70146 2.92548 2.40337 -38.93709 1131.45180
1020.0000 -41.64816 -39.50699 2.14117 2.34162 -39.37683 1056.32485
1025.0000 -41.06551 -39.00757 2.05794 2.30380 -39.64609 1062.50983
1030.0000 -42.54654 -38.71463 3.83191 2.47098 -38.45573 1181.83330
1035.0000 -42.10689 -39.96278 2.14411 2.36515 -39.20928 1016.71254
1040.0000 -42.97504 -40.81505 2.15999 2.17604 -40.55581 871.38953
1045.0000 -42.52605 -40.43233 2.09372 2.22697 -40.19315 952.48342
1050.0000 -42.16783 -39.22095 2.94688 2.36304 -39.22429 1112.22557
1055.0000 -40.96466 -38.95365 2.01101 2.44273 -38.65686 1175.50717
1060.0000 -42.24609 -39.20779 3.03830 2.35039 -39.31437 1120.26148
1065.0000 -41.37803 -38.95929 2.41874 2.32921 -39.46520 1094.14596
1070.0000 -42.06789 -38.97647 3.09142 2.30219 -39.65754 994.21763
1075.0000 -42.34052 -39.55342 2.78710 2.30101 -39.66597 1059.08344
1080.0000 -41.14349 -38.13052 3.01297 2.52951 -38.03894 1298.26662
1085.0000 -40.97524 -37.64549 3.32975 2.54000 -37.96428 1289.24561
1090.0000 -42.18077 -39.02775 3.15303 2.45071 -38.60002 1218.71500
1095.0000 -40.97579 -39.09108 1.88471 2.41249 -38.87221 1133.78454
1100.0000 -42.40627 -39.82447 2.58180 2.30584 -39.63154 1084.15830
1105.0000 -41.64477 -39.80361 1.84116 2.30501 -39.63745 1016.19684
1110.0000 -41.35286 -39.13248 2.22038 2.31957 -39.53378 1025.29907
1115.0000 -41.87869 -39.55170 2.32699 2.32123 -39.52202 1037.37965
1120.0000 -41.48973 -38.27553 3.21420 2.45343 -38.58066 1199.68200
1125.0000 -41.43113 -38.49435 2.93677 2.51703 -38.12782 1286.51998
1130.0000 -41.92562 -38.78856 3.13706 2.48074 -38.38619 1228.17620
1135.0000 -41.19030 -39.16738 2.02292 2.42828 -38.75972 1164.51173
1140.0000 -42.21296 -39.54294 2.67002 2.43533 -38.70954 1162.03321
1145.0000 -42.51025 -40.23716 2.27309 2.26372 -39.93150 1009.66295
1150.0000 -41.45592 -39.09391 2.36200 2.27866 -39.82510 926.25890
1155.0000 -41.34005 -38.79490 2.54515 2.35519 -39.28016 1031.43064
1160.0000 -41.45337 -38.85232 2.60105 2.46268 -38.51484 1136.65761
1165.0000 -40.53500 -38.22870 2.30629 2.48555 -38.35199 1329.57433
1170.0000 -41.51067 -38.25113 3.25954 2.53580 -37.99415 1232.42137
1175.0000 -42.62314 -39.51036 3.11278 2.45181 -38.59218 1278.24880
1180.0000 -41.78127 -39.08753 2.69374 2.35718 -39.26599 1076.42091
1185.0000 -42.54152 -39.83063 2.71088 2.32992 -39.46011 1051.41026
1190.0000 -42.86400 -39.74382 3.12018 2.25012 -40.02835 986.11312
1195.0000 -40.70695 -38.00589 2.70106 2.47099 -38.45566 1279.43786
1200.0000 -40.60810 -37.93343 2.67467 2.51742 -38.12502 1180.78880
1205.0000 -41.83611 -39.09843 2.73768 2.48395 -38.36339 1256.01060
1210.0000 -40.54400 -38.44780 2.09619 2.42128 -38.80958 1106.91346
1215.0000 -40.59212 -38.62320 1.96892 2.52881 -38.04397 1214.16742
1220.0000 -42.10023 -38.79062 3.30960 2.38620 -39.05940 1112.54200
1225.0000 -41.57584 -39.07100 2.50484 2.37027 -39.17277 1072.72622
1230.0000 -42.83375 -39.69672 3.13703 2.36871 -39.18395 1082.47547
1235.0000 -42.52354 -40.67582 1.84772 2.20026 -40.38334 940.10729
1240.0000 -42.75405 -40.15379 2.60026 2.17339 -40.57467 897.78891
1245.0000 -41.84046 -39.01411 2.82635 2.30767 -39.61853 992.51684
1250.0000 -41.87274 -39.34933 2.52341 2.30748 -39.61989 1073.51436
FREEZING PROCESS: loop number 6 T-loop= 1123.0000000000000
main_MD> interactions number 6 at Temperature= 1123.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.18251 4.14913 -2.08007
force_rgl> df(natom) -2.43227 -16.44942 -1.22502
1255.0000 -40.51070 -37.97340 2.53730 2.48228 -38.37522 1244.56597
1260.0000 -42.31326 -38.86807 3.44518 2.49346 -38.29566 1227.76617
1265.0000 -41.47342 -39.29303 2.18039 2.37416 -39.14511 1155.66028
1270.0000 -42.21468 -39.23480 2.97988 2.35733 -39.26498 1059.20496
1275.0000 -42.25533 -40.46415 1.79119 2.25869 -39.96729 962.78291
1280.0000 -42.53578 -39.47544 3.06034 2.25194 -40.01538 969.11927
1285.0000 -41.44925 -37.72053 3.72872 2.43243 -38.73022 1193.18651
1290.0000 -42.11826 -39.37439 2.74387 2.44803 -38.61912 1100.04507
1295.0000 -42.43898 -39.62420 2.81478 2.36148 -39.23540 1112.98472
1300.0000 -41.87735 -39.73852 2.13883 2.27648 -39.84065 916.38378
1305.0000 -40.40318 -38.55036 1.85283 2.37658 -39.12791 1092.25623
1310.0000 -41.88497 -37.73894 4.14603 2.50757 -38.19520 1193.44476
1315.0000 -40.87251 -37.41657 3.45594 2.52145 -38.09635 1250.74380
1320.0000 -42.21522 -39.76256 2.45266 2.42945 -38.75145 1137.92795
1325.0000 -41.66408 -39.40654 2.25755 2.32514 -39.49416 1072.91031
1330.0000 -40.90416 -37.83314 3.07101 2.42859 -38.75754 1183.33908
1335.0000 -40.35024 -37.68138 2.66886 2.62083 -37.38871 1424.77469
1340.0000 -42.59804 -40.39439 2.20365 2.28640 -39.77000 1041.48685
1345.0000 -42.37910 -40.14917 2.22993 2.22204 -40.22825 964.94959
1350.0000 -42.32375 -39.79271 2.53104 2.26639 -39.91250 975.67149
1355.0000 -41.50389 -38.68354 2.82035 2.31703 -39.55187 1055.66198
1360.0000 -42.51008 -39.69977 2.81032 2.32986 -39.46058 1127.62174
1365.0000 -41.28287 -38.42462 2.85825 2.37524 -39.13742 1117.07702
1370.0000 -41.96847 -39.54012 2.42835 2.36387 -39.21836 1123.63916
1375.0000 -42.16397 -39.24304 2.92092 2.31580 -39.56067 1002.57001
1380.0000 -41.74085 -39.15840 2.58245 2.43588 -38.70562 1179.59418
1385.0000 -42.41231 -39.68210 2.73021 2.33793 -39.40310 1070.82681
1390.0000 -42.71240 -38.95712 3.75528 2.35918 -39.25180 1074.42630
1395.0000 -41.16897 -37.83531 3.33366 2.44439 -38.64505 1193.09023
1400.0000 -41.46505 -38.94522 2.51983 2.48881 -38.32873 1309.55718
1405.0000 -40.30395 -37.05212 3.25182 2.40005 -38.96076 1157.51034
1410.0000 -41.04202 -38.26288 2.77915 2.62885 -37.33160 1432.32693
1415.0000 -41.15288 -37.88556 3.26732 2.49644 -38.27444 1235.56562
1420.0000 -41.30892 -38.53461 2.77431 2.47898 -38.39872 1292.61196
1425.0000 -41.74269 -38.84427 2.89842 2.44986 -38.60609 1130.00503
1430.0000 -42.86876 -40.36713 2.50162 2.30571 -39.63248 999.92018
1435.0000 -42.04685 -39.58088 2.46597 2.21110 -40.30612 957.72755
1440.0000 -41.89714 -40.01000 1.88715 2.32869 -39.46886 1044.79791
1445.0000 -42.42742 -39.70975 2.71767 2.33295 -39.43856 1022.65419
1450.0000 -42.36732 -39.29572 3.07160 2.37696 -39.12521 1033.75540
1455.0000 -41.75291 -39.52538 2.22753 2.36351 -39.22092 1052.30484
1460.0000 -42.23939 -38.80024 3.43915 2.32051 -39.52711 1046.03886
1465.0000 -41.64145 -38.98349 2.65796 2.40524 -38.92384 1117.04644
1470.0000 -41.60457 -38.07178 3.53279 2.37472 -39.14112 1107.65827
1475.0000 -41.44876 -38.67565 2.77311 2.53363 -38.00965 1343.03553
1480.0000 -41.88301 -39.04214 2.84087 2.43194 -38.73367 1157.28286
1485.0000 -42.53791 -39.17071 3.36720 2.41636 -38.84466 1203.37803
1490.0000 -42.27588 -39.75208 2.52379 2.38753 -39.04990 1164.23372
1495.0000 -42.20270 -39.48875 2.71395 2.25096 -40.02237 946.88089
1500.0000 -42.36476 -40.07492 2.28984 2.24713 -40.04957 971.56041
FREEZING PROCESS: loop number 7 T-loop= 1098.0000000000000
main_MD> interactions number 7 at Temperature= 1098.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20032 1.89942 0.11340
force_rgl> df(natom) -1.05880 0.43748 -0.36930
1505.0000 -41.74117 -38.41724 3.32392 2.31721 -39.55062 1100.71670
1510.0000 -40.83244 -37.14019 3.69225 2.53277 -38.01573 1358.81208
1515.0000 -42.54298 -39.96342 2.57956 2.47545 -38.42390 1173.91632
1520.0000 -42.20354 -40.12111 2.08244 2.23211 -40.15654 983.79775
1525.0000 -42.47633 -39.59691 2.87942 2.23406 -40.14269 1019.85439
1530.0000 -41.39757 -37.66615 3.73142 2.40554 -38.92168 1235.44604
1535.0000 -41.01917 -38.41720 2.60197 2.52982 -38.03673 1283.77571
1540.0000 -41.69119 -37.93488 3.75630 2.51030 -38.17576 1267.70954
1545.0000 -40.26664 -38.50783 1.75881 2.45803 -38.54790 1137.00214
1550.0000 -41.31991 -37.90459 3.41532 2.48254 -38.37340 1200.96067
1555.0000 -41.32591 -38.34640 2.97951 2.47011 -38.46190 1229.54154
1560.0000 -40.71854 -38.50082 2.21773 2.42259 -38.80027 1160.45237
1565.0000 -41.33555 -38.51856 2.81698 2.49078 -38.31473 1189.61419
1570.0000 -41.00817 -38.46648 2.54169 2.50730 -38.19714 1246.26828
1575.0000 -41.47943 -38.52450 2.95493 2.41790 -38.83369 1205.48872
1580.0000 -41.34248 -38.98106 2.36143 2.36510 -39.20960 1164.90684
1585.0000 -41.82752 -39.30292 2.52460 2.31908 -39.53731 1029.46831
1590.0000 -41.95510 -40.09159 1.86351 2.31340 -39.57773 1040.27754
1595.0000 -41.58553 -39.47039 2.11515 2.30302 -39.65164 1013.28020
1600.0000 -41.51305 -38.98440 2.52866 2.43693 -38.69819 1296.05880
1605.0000 -42.51790 -39.94260 2.57530 2.32889 -39.46748 1147.90527
1610.0000 -41.82278 -40.03289 1.78989 2.25718 -39.97802 943.35926
1615.0000 -42.36966 -39.22463 3.14503 2.29121 -39.73573 1096.38686
1620.0000 -42.65790 -40.18163 2.47627 2.29837 -39.68473 1057.17844
1625.0000 -41.49094 -39.64330 1.84764 2.26230 -39.94158 998.54978
1630.0000 -42.27542 -39.00472 3.27070 2.42879 -38.75609 1151.88168
1635.0000 -41.39001 -38.20388 3.18613 2.46201 -38.51959 1155.74356
1640.0000 -41.66384 -39.19272 2.47112 2.42732 -38.76659 1207.67999
1645.0000 -42.52308 -39.75164 2.77144 2.34418 -39.35855 1079.19922
1650.0000 -41.73502 -39.12427 2.61075 2.24933 -40.03396 1009.66280
1655.0000 -42.15714 -39.52750 2.62963 2.27438 -39.85559 1014.48123
1660.0000 -42.93069 -40.15298 2.77772 2.24777 -40.04506 1008.37987
1665.0000 -42.31133 -39.64072 2.67061 2.26418 -39.92819 1035.67489
1670.0000 -42.73952 -40.64939 2.09013 2.17065 -40.59415 829.34611
1675.0000 -42.48940 -39.53666 2.95274 2.24563 -40.06030 929.59565
1680.0000 -42.63179 -40.71365 1.91814 2.25257 -40.01089 969.74552
1685.0000 -42.24185 -39.58140 2.66045 2.25865 -39.96755 1046.58811
1690.0000 -42.77332 -40.26046 2.51286 2.26178 -39.94530 961.72884
1695.0000 -42.45461 -39.28915 3.16546 2.43900 -38.68342 1142.22537
1700.0000 -41.51833 -38.97904 2.53930 2.36193 -39.23216 1086.46438
1705.0000 -42.08389 -40.17457 1.90933 2.30099 -39.66612 1041.18220
1710.0000 -41.74711 -39.24741 2.49970 2.31099 -39.59490 1022.30016
1715.0000 -42.06908 -39.63825 2.43082 2.34229 -39.37204 1076.51313
1720.0000 -43.21235 -40.62851 2.58384 2.21728 -40.26215 907.20632
1725.0000 -41.99123 -38.69907 3.29217 2.35959 -39.24886 1137.21087
1730.0000 -41.01113 -37.93836 3.07277 2.56460 -37.78908 1366.42483
1735.0000 -42.17534 -39.94918 2.22616 2.48605 -38.34842 1279.02017
1740.0000 -41.12153 -39.22942 1.89211 2.34940 -39.32142 1143.89695
1745.0000 -42.24038 -39.75303 2.48735 2.32542 -39.49217 1026.56408
1750.0000 -42.30794 -39.66369 2.64424 2.33465 -39.42643 1066.02532
FREEZING PROCESS: loop number 8 T-loop= 1073.0000000000000
main_MD> interactions number 8 at Temperature= 1073.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78910 3.12435 0.86030
force_rgl> df(natom) 2.57619 -0.62447 -0.28115
1755.0000 -43.03666 -40.65164 2.38502 2.23358 -40.14612 1028.86623
1760.0000 -42.50855 -39.46925 3.03931 2.24655 -40.05376 998.71935
1765.0000 -42.26263 -39.63278 2.62985 2.26289 -39.93741 985.49444
1770.0000 -42.59626 -39.76007 2.83619 2.25006 -40.02875 922.58567
1775.0000 -41.58689 -39.17610 2.41079 2.41129 -38.88071 1038.46291
1780.0000 -42.50127 -39.89698 2.60429 2.34669 -39.34067 1085.61321
1785.0000 -42.10404 -39.63319 2.47085 2.30326 -39.64995 1079.51431
1790.0000 -41.97328 -38.95734 3.01594 2.34695 -39.33884 992.22324
1795.0000 -41.64638 -38.91632 2.73006 2.48775 -38.33632 1255.87907
1800.0000 -41.78868 -39.29598 2.49270 2.38625 -39.05901 1039.90909
1805.0000 -42.01835 -39.66691 2.35144 2.30248 -39.65549 1025.46626
1810.0000 -42.56405 -39.62937 2.93468 2.34910 -39.32355 1116.71663
1815.0000 -41.65384 -38.72727 2.92657 2.34002 -39.38822 1038.89073
1820.0000 -42.96006 -40.16777 2.79229 2.31137 -39.59222 1071.43685
1825.0000 -41.47490 -38.61178 2.86312 2.40341 -38.93686 1173.85866
1830.0000 -42.14153 -38.87621 3.26531 2.41115 -38.88173 1081.02783
1835.0000 -42.24824 -39.74273 2.50551 2.34849 -39.32788 1140.03415
1840.0000 -42.76782 -40.24567 2.52215 2.27527 -39.84922 1011.80895
1845.0000 -42.87778 -39.92735 2.95043 2.23530 -40.13381 995.65904
1850.0000 -42.43915 -38.80568 3.63347 2.28797 -39.75880 1050.34239
1855.0000 -41.46235 -38.61707 2.84528 2.38334 -39.07973 1073.48861
1860.0000 -41.84872 -40.14261 1.70611 2.36813 -39.18802 1079.18485
1865.0000 -42.26906 -40.42263 1.84643 2.27147 -39.87631 966.23728
1870.0000 -42.68853 -39.89975 2.78878 2.29117 -39.73605 1035.00786
1875.0000 -42.16147 -39.34545 2.81603 2.23080 -40.16590 1053.79884
1880.0000 -41.75832 -38.21744 3.54088 2.36849 -39.18545 1101.01645
1885.0000 -41.97597 -39.23391 2.74206 2.46727 -38.48214 1223.00710
1890.0000 -41.81092 -38.74066 3.07026 2.46314 -38.51156 1225.12148
1895.0000 -41.52607 -38.07341 3.45266 2.54951 -37.89653 1289.92389
1900.0000 -41.06738 -38.45778 2.60961 2.49830 -38.26119 1226.37266
1905.0000 -41.95268 -38.79935 3.15333 2.41431 -38.85923 1109.27222
1910.0000 -41.77978 -39.10597 2.67380 2.34625 -39.34385 1059.34312
1915.0000 -41.08565 -38.33712 2.74853 2.43795 -38.69092 1131.44772
1920.0000 -41.50196 -39.25903 2.24293 2.35627 -39.27249 1074.18094
1925.0000 -42.09389 -39.79585 2.29804 2.33779 -39.40409 1121.83365
1930.0000 -43.31683 -41.20845 2.10839 2.21317 -40.29142 972.31572
1935.0000 -42.75313 -40.24180 2.51133 2.16961 -40.60160 893.87664
1940.0000 -42.21579 -39.85108 2.36471 2.26184 -39.94486 924.78846
1945.0000 -41.65301 -39.46226 2.19075 2.25758 -39.97517 973.71362
1950.0000 -41.73830 -39.28292 2.45538 2.34154 -39.37739 1056.77625
1955.0000 -42.80984 -40.77128 2.03855 2.26653 -39.91146 1020.67978
1960.0000 -42.63766 -40.51209 2.12557 2.15925 -40.67536 944.66255
1965.0000 -42.18448 -38.74728 3.43719 2.30004 -39.67286 1065.77607
1970.0000 -41.53334 -38.36801 3.16533 2.44115 -38.66809 1202.67307
1975.0000 -41.40497 -38.12329 3.28169 2.50573 -38.20830 1225.70337
1980.0000 -42.55244 -38.75827 3.79417 2.51729 -38.12595 1293.26864
1985.0000 -42.47562 -38.49360 3.98201 2.47193 -38.44896 1198.79280
1990.0000 -41.21030 -38.02198 3.18832 2.54364 -37.93834 1351.73303
1995.0000 -42.03536 -39.67648 2.35888 2.38601 -39.06076 1088.76677
2000.0000 -41.63863 -39.12465 2.51398 2.37292 -39.15397 1129.47331
FREEZING PROCESS: loop number 9 T-loop= 1048.0000000000000
main_MD> interactions number 9 at Temperature= 1048.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.47575 -7.76694 2.79249
force_rgl> df(natom) -2.14161 0.01004 -2.25403
2005.0000 -41.28069 -37.57636 3.70432 2.44666 -38.62888 1141.64823
2010.0000 -41.46826 -39.17875 2.28951 2.45820 -38.54671 1180.08546
2015.0000 -42.92216 -40.71480 2.20736 2.26146 -39.94756 979.12862
2020.0000 -41.62404 -39.98249 1.64155 2.31842 -39.54201 1120.30875
2025.0000 -42.55959 -40.44184 2.11775 2.12074 -40.94952 847.13605
2030.0000 -42.18953 -39.21459 2.97494 2.30389 -39.64544 1054.46459
2035.0000 -42.48691 -40.26191 2.22500 2.32401 -39.50220 1021.40260
2040.0000 -42.17738 -38.82397 3.35341 2.29874 -39.68214 1026.94165
2045.0000 -41.75318 -39.56654 2.18664 2.28706 -39.76526 969.43886
2050.0000 -42.55390 -40.01626 2.53764 2.36128 -39.23679 1068.50081
2055.0000 -41.25949 -38.95429 2.30520 2.33080 -39.45385 1135.89194
2060.0000 -41.99453 -39.57486 2.41967 2.35189 -39.30368 1134.18582
2065.0000 -42.88298 -40.58121 2.30177 2.24578 -40.05924 999.91346
2070.0000 -42.69765 -40.48795 2.20970 2.17934 -40.53228 920.14846
2075.0000 -41.78712 -39.48780 2.29933 2.32714 -39.47994 1081.16887
2080.0000 -41.98724 -39.07216 2.91509 2.32515 -39.49411 1086.80193
2085.0000 -41.76832 -39.29858 2.46974 2.33234 -39.44287 1065.94832
2090.0000 -42.49958 -38.86971 3.62987 2.42771 -38.76381 1170.38893
2095.0000 -41.97684 -39.63493 2.34191 2.38868 -39.04171 1115.41294
2100.0000 -41.66727 -39.26435 2.40292 2.39797 -38.97556 1054.03484
2105.0000 -42.45528 -39.83694 2.61835 2.32765 -39.47625 1113.84428
2110.0000 -42.90748 -40.22724 2.68024 2.24011 -40.09957 950.30310
2115.0000 -42.24201 -40.20922 2.03279 2.24231 -40.08393 996.77984
2120.0000 -42.64836 -39.70656 2.94180 2.26036 -39.95541 977.49917
2125.0000 -42.46337 -39.91544 2.54793 2.25778 -39.97381 995.77201
2130.0000 -41.72841 -39.08914 2.63927 2.28659 -39.76866 1018.67364
2135.0000 -41.86603 -38.76633 3.09970 2.39704 -38.98223 1167.46124
2140.0000 -42.62811 -40.10996 2.51814 2.35745 -39.26407 1060.88721
2145.0000 -42.35680 -40.85780 1.49900 2.20940 -40.31824 894.23797
2150.0000 -43.21590 -40.60288 2.61302 2.16058 -40.66586 840.19757
2155.0000 -41.22841 -38.91737 2.31104 2.30690 -39.62406 1052.43404
2160.0000 -42.52801 -40.25915 2.26886 2.33533 -39.42160 1035.92976
2165.0000 -42.33698 -39.50611 2.83087 2.20812 -40.32734 907.46775
2170.0000 -41.59992 -38.49232 3.10760 2.39723 -38.98084 1137.09944
2175.0000 -42.49921 -40.23751 2.26170 2.34680 -39.33992 1134.65257
2180.0000 -41.95987 -39.04210 2.91777 2.32584 -39.48913 1060.16643
2185.0000 -42.34238 -40.28332 2.05907 2.32635 -39.48553 1013.23050
2190.0000 -42.12504 -40.01518 2.10986 2.24383 -40.07313 973.64591
2195.0000 -42.06312 -39.58284 2.48027 2.24246 -40.08288 989.72603
2200.0000 -41.75806 -39.88481 1.87325 2.38720 -39.05228 1074.52069
2205.0000 -42.57500 -39.91020 2.66480 2.23738 -40.11902 912.70081
2210.0000 -42.16442 -40.25453 1.90989 2.22469 -40.20937 893.21073
2215.0000 -42.52412 -40.55091 1.97321 2.17248 -40.58117 928.17900
2220.0000 -43.08021 -40.81651 2.26370 2.16658 -40.62313 903.44094
2225.0000 -42.62256 -40.35113 2.27142 2.14859 -40.75124 858.47534
2230.0000 -42.36699 -40.32940 2.03758 2.23194 -40.15776 1012.60597
2235.0000 -42.80810 -39.85260 2.95549 2.20944 -40.31800 990.30867
2240.0000 -42.05772 -38.80312 3.25460 2.38876 -39.04117 1140.94563
2245.0000 -41.81115 -39.33014 2.48101 2.36035 -39.24341 1106.71945
2250.0000 -43.14980 -40.77584 2.37395 2.21096 -40.30714 1000.89727
FREEZING PROCESS: loop number 10 T-loop= 1023.0000000000000
main_MD> interactions number 10 at Temperature= 1023.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57885 1.07861 3.51973
force_rgl> df(natom) 1.44450 0.97122 1.84477
2255.0000 -41.62840 -38.41251 3.21589 2.30777 -39.61781 1074.76070
2260.0000 -41.93116 -39.23132 2.69984 2.42435 -38.78776 1217.00324
2265.0000 -42.22685 -39.42640 2.80044 2.35532 -39.27927 1091.16967
2270.0000 -42.75779 -39.38602 3.37176 2.35355 -39.29185 1122.71514
2275.0000 -42.65136 -40.19811 2.45325 2.30405 -39.64434 1047.16810
2280.0000 -42.74982 -39.71224 3.03758 2.26492 -39.92297 1029.15619
2285.0000 -42.52532 -40.31081 2.21451 2.22090 -40.23636 907.28800
2290.0000 -42.40320 -40.18842 2.21478 2.27337 -39.86275 1031.45432
2295.0000 -42.13193 -40.26914 1.86279 2.28110 -39.80772 963.86382
2300.0000 -42.25948 -40.07026 2.18922 2.26795 -39.90135 1086.87210
2305.0000 -41.72448 -39.57200 2.15248 2.20118 -40.37676 918.01693
2310.0000 -41.60200 -39.36445 2.23755 2.34584 -39.34676 1062.51303
2315.0000 -41.87180 -39.45560 2.41620 2.37193 -39.16097 1080.46559
2320.0000 -43.16042 -41.23793 1.92249 2.22780 -40.18726 961.95441
2325.0000 -41.98324 -40.19536 1.78789 2.21449 -40.28203 950.04204
2330.0000 -42.06100 -39.25858 2.80242 2.27319 -39.86403 952.33941
2335.0000 -41.96175 -39.94425 2.01750 2.28723 -39.76408 1017.98955
2340.0000 -42.61374 -39.77972 2.83401 2.26305 -39.93627 1034.28681
2345.0000 -41.91839 -39.89982 2.01857 2.30964 -39.60455 1006.94641
2350.0000 -42.30396 -40.14956 2.15440 2.25532 -39.99130 1031.38508
2355.0000 -42.46901 -40.17503 2.29398 2.20752 -40.33161 953.35487
2360.0000 -42.80773 -40.05286 2.75487 2.21553 -40.27460 971.62911
2365.0000 -41.98616 -39.54780 2.43836 2.32105 -39.52327 1000.78689
2370.0000 -42.38155 -39.34478 3.03677 2.37592 -39.13258 1069.25532
2375.0000 -41.71015 -39.23542 2.47473 2.35536 -39.27894 1089.77652
2380.0000 -42.36982 -39.99300 2.37682 2.33967 -39.39072 1035.10861
2385.0000 -42.72130 -39.80048 2.92082 2.28028 -39.81360 1024.49021
2390.0000 -43.05519 -40.97506 2.08013 2.23474 -40.13785 957.82358
2395.0000 -42.36466 -40.50205 1.86261 2.14313 -40.79015 856.13162
2400.0000 -42.94327 -40.63290 2.31037 2.20901 -40.32106 951.53717
2405.0000 -42.42037 -40.07085 2.34951 2.28757 -39.76168 1011.38456
2410.0000 -42.68039 -40.24749 2.43291 2.23337 -40.14760 959.11607
2415.0000 -42.37717 -40.32135 2.05582 2.25288 -40.00867 1033.37817
2420.0000 -41.76168 -40.09540 1.66628 2.29020 -39.74295 1065.24908
2425.0000 -43.09495 -39.79056 3.30439 2.25267 -40.01017 1029.62133
2430.0000 -42.54792 -39.96578 2.58214 2.30199 -39.65898 1121.47149
2435.0000 -41.31180 -38.32190 2.98990 2.38935 -39.03697 1189.19957
2440.0000 -41.52944 -38.91458 2.61486 2.39215 -39.01700 1080.05817
2445.0000 -41.69222 -38.22362 3.46860 2.36187 -39.23260 1031.47154
2450.0000 -41.69879 -39.82199 1.87679 2.35583 -39.27561 1118.50356
2455.0000 -43.15722 -40.51020 2.64702 2.20696 -40.33561 877.73489
2460.0000 -43.04842 -40.04482 3.00360 2.16579 -40.62879 929.02524
2465.0000 -41.72000 -39.29191 2.42810 2.29384 -39.71699 1027.48654
2470.0000 -42.48665 -39.80071 2.68594 2.40612 -38.91751 1130.32356
2475.0000 -42.27181 -39.49092 2.78089 2.26421 -39.92803 1007.79344
2480.0000 -41.74886 -38.93426 2.81460 2.30360 -39.64751 998.95916
2485.0000 -42.58428 -40.87835 1.70593 2.21159 -40.30263 927.79295
2490.0000 -42.70278 -40.83962 1.86317 2.13548 -40.84456 842.62163
2495.0000 -42.88258 -40.65675 2.22583 2.16110 -40.66221 887.58693
2500.0000 -42.17079 -39.75060 2.42019 2.27995 -39.81593 1058.08795
FREEZING PROCESS: loop number 11 T-loop= 998.00000000000000
main_MD> interactions number 11 at Temperature= 998.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.24494 -3.29760 -0.56083
force_rgl> df(natom) 3.24545 0.33860 -0.10447
2505.0000 -42.98162 -41.17888 1.80273 2.19161 -40.44490 880.17513
2510.0000 -42.10863 -39.52986 2.57877 2.21475 -40.28014 912.06470
2515.0000 -41.53029 -39.32776 2.20252 2.41681 -38.84143 1173.89362
2520.0000 -42.74900 -40.10816 2.64083 2.31940 -39.53501 1079.93034
2525.0000 -42.23943 -40.61880 1.62063 2.26576 -39.91696 1048.81611
2530.0000 -43.80823 -41.34053 2.46770 2.12277 -40.93510 873.82794
2535.0000 -43.48749 -40.86273 2.62476 2.08197 -41.22559 854.27547
2540.0000 -42.32551 -39.34950 2.97602 2.24471 -40.06685 1032.59859
2545.0000 -41.43030 -39.10469 2.32561 2.30355 -39.64787 1009.59164
2550.0000 -42.15792 -39.51808 2.63984 2.39612 -38.98877 1169.69052
2555.0000 -41.93240 -38.81524 3.11716 2.33278 -39.43976 1061.33142
2560.0000 -41.57323 -38.75319 2.82004 2.44280 -38.65637 1179.51360
2565.0000 -42.15281 -39.67694 2.47587 2.36042 -39.24297 1080.43816
2570.0000 -41.95319 -39.39069 2.56250 2.33786 -39.40359 1061.07197
2575.0000 -40.97909 -38.36340 2.61568 2.49138 -38.31047 1206.86690
2580.0000 -42.29871 -39.05118 3.24753 2.48096 -38.38465 1115.50994
2585.0000 -41.47263 -39.19047 2.28216 2.35829 -39.25810 1129.12444
2590.0000 -41.65606 -39.28904 2.36702 2.33589 -39.41757 1089.98926
2595.0000 -41.03659 -38.52487 2.51171 2.37396 -39.14650 1103.55350
2600.0000 -41.25673 -38.67842 2.57831 2.40342 -38.93676 1110.71754
2605.0000 -41.88660 -39.68634 2.20027 2.35232 -39.30065 1098.74207
2610.0000 -42.67885 -39.78532 2.89353 2.26627 -39.91334 1003.85205
2615.0000 -43.42797 -40.48957 2.93840 2.20616 -40.34132 944.03160
2620.0000 -41.97586 -39.89302 2.08284 2.26095 -39.95122 1044.67842
2625.0000 -41.83837 -39.42588 2.41249 2.35446 -39.28535 1105.74766
2630.0000 -42.37052 -39.35285 3.01767 2.33867 -39.39781 1049.03158
2635.0000 -42.09041 -39.37164 2.71877 2.40151 -38.95037 1185.85592
2640.0000 -42.44880 -39.78933 2.65947 2.32315 -39.50830 1058.57293
2645.0000 -41.29201 -38.95053 2.34147 2.35459 -39.28444 1103.63433
2650.0000 -42.16710 -39.44093 2.72617 2.36035 -39.24344 1123.30907
2655.0000 -42.16548 -39.62737 2.53811 2.31336 -39.57802 1039.29386
2660.0000 -42.50717 -40.10974 2.39743 2.29983 -39.67439 1052.65587
2665.0000 -42.66396 -40.96413 1.69984 2.19221 -40.44063 903.28795
2670.0000 -43.72502 -41.77221 1.95281 2.06351 -41.35704 802.62896
2675.0000 -43.10676 -41.08314 2.02362 2.04825 -41.46573 819.32294
2680.0000 -42.52254 -40.00071 2.52183 2.11819 -40.96770 822.37797
2685.0000 -42.41698 -40.71415 1.70283 2.19615 -40.41259 921.08132
2690.0000 -41.99779 -40.00156 1.99623 2.20183 -40.37213 941.19792
2695.0000 -42.19899 -39.89216 2.30683 2.25394 -40.00114 1007.00530
2700.0000 -42.89952 -40.38899 2.51053 2.17224 -40.58288 890.35972
2705.0000 -42.79309 -39.84026 2.95284 2.28231 -39.79910 1030.82355
2710.0000 -43.08832 -40.71864 2.36968 2.19670 -40.40872 912.60970
2715.0000 -43.10411 -41.32253 1.78159 2.13055 -40.87969 850.35879
2720.0000 -44.03798 -41.96102 2.07697 2.05985 -41.38310 703.06996
2725.0000 -42.25063 -40.37221 1.87843 2.07297 -41.28973 820.08779
2730.0000 -41.89396 -39.78483 2.10913 2.21824 -40.25531 954.18824
2735.0000 -41.98313 -39.60536 2.37777 2.27159 -39.87548 975.86809
2740.0000 -42.25920 -40.05791 2.20130 2.31105 -39.59451 1064.90396
2745.0000 -43.06024 -40.68253 2.37771 2.11558 -40.98627 853.02995
2750.0000 -42.47956 -40.75321 1.72635 2.19893 -40.39283 950.87135
FREEZING PROCESS: loop number 12 T-loop= 973.00000000000000
main_MD> interactions number 12 at Temperature= 973.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.34892 -6.91966 1.71299
force_rgl> df(natom) 1.42125 2.92498 -0.05808
2755.0000 -41.91098 -39.91121 1.99978 2.19045 -40.45323 938.83176
2760.0000 -42.68628 -40.18835 2.49793 2.26246 -39.94044 1018.28566
2765.0000 -42.84624 -40.82023 2.02601 2.16998 -40.59896 913.03837
2770.0000 -42.63391 -40.78629 1.84762 2.13964 -40.81496 892.92943
2775.0000 -42.86934 -40.59895 2.27039 2.23814 -40.11365 921.43202
2780.0000 -42.47269 -39.98473 2.48795 2.20637 -40.33980 932.20722
2785.0000 -41.95108 -39.29205 2.65902 2.34880 -39.32570 1130.49343
2790.0000 -42.20576 -40.08679 2.11897 2.30531 -39.63537 1040.31553
2795.0000 -42.49705 -40.55060 1.94644 2.14601 -40.76960 873.31481
2800.0000 -42.62393 -40.76860 1.85533 2.22512 -40.20634 945.89312
2805.0000 -41.63622 -39.26911 2.36710 2.21698 -40.26427 930.23193
2810.0000 -42.08180 -40.04017 2.04163 2.29964 -39.67569 1038.03960
2815.0000 -42.67746 -40.55478 2.12268 2.19807 -40.39891 900.09338
2820.0000 -42.46155 -39.64212 2.81943 2.21736 -40.26159 946.12268
2825.0000 -41.32608 -38.84897 2.47711 2.35596 -39.27470 1089.61527
2830.0000 -42.44231 -38.75019 3.69212 2.40850 -38.90061 1173.08888
2835.0000 -42.82089 -40.39284 2.42806 2.28667 -39.76808 1001.85649
2840.0000 -42.49878 -39.35619 3.14259 2.37321 -39.15189 1089.40280
2845.0000 -42.06505 -39.74590 2.31915 2.30295 -39.65215 943.63509
2850.0000 -42.16047 -39.40611 2.75436 2.44063 -38.67178 1119.48261
2855.0000 -42.31809 -40.53872 1.77937 2.27259 -39.86834 993.59186
2860.0000 -41.61065 -39.85618 1.75447 2.27058 -39.88261 960.85243
2865.0000 -41.87434 -38.83744 3.03690 2.34015 -39.38729 1053.54061
2870.0000 -42.76143 -40.65067 2.11077 2.20533 -40.34722 964.51815
2875.0000 -42.63162 -40.54364 2.08798 2.13069 -40.87869 872.62439
2880.0000 -42.52952 -40.18135 2.34816 2.18571 -40.48696 928.06920
2885.0000 -42.57312 -40.46832 2.10480 2.24098 -40.09338 974.63773
2890.0000 -42.49429 -40.47616 2.01813 2.14724 -40.76085 902.20591
2895.0000 -42.29526 -39.60983 2.68543 2.20019 -40.38383 937.01912
2900.0000 -41.66431 -39.59877 2.06554 2.31916 -39.53675 1030.52265
2905.0000 -41.47712 -39.03821 2.43891 2.30398 -39.64478 1049.71425
2910.0000 -42.09405 -40.53442 1.55963 2.32984 -39.46066 969.84430
2915.0000 -42.96895 -40.38243 2.58653 2.19259 -40.43794 910.35304
2920.0000 -42.46088 -40.27896 2.18191 2.24264 -40.08160 1002.11526
2925.0000 -42.22123 -39.35610 2.86513 2.27637 -39.84143 995.21363
2930.0000 -42.21875 -40.64412 1.57463 2.23880 -40.10893 952.60115
2935.0000 -42.49439 -40.49182 2.00256 2.20915 -40.32002 895.69561
2940.0000 -42.64417 -39.60968 3.03449 2.29659 -39.69746 1017.38932
2945.0000 -42.49123 -40.67468 1.81656 2.28516 -39.77884 1033.26721
2950.0000 -42.66150 -40.14419 2.51731 2.21269 -40.29484 895.18470
2955.0000 -43.03056 -40.75584 2.27472 2.24684 -40.05169 967.80193
2960.0000 -42.93581 -41.65228 1.28353 2.14243 -40.79514 904.93091
2965.0000 -42.81715 -40.13419 2.68296 2.17418 -40.56902 897.58936
2970.0000 -42.15184 -40.64951 1.50233 2.35445 -39.28546 1024.01155
2975.0000 -42.10611 -40.45574 1.65037 2.22818 -40.18457 924.56402
2980.0000 -42.15185 -39.58010 2.57175 2.25489 -39.99434 992.24856
2985.0000 -43.27580 -40.76979 2.50601 2.22807 -40.18531 939.55479
2990.0000 -41.89618 -40.05251 1.84366 2.22320 -40.21997 1011.43554
2995.0000 -42.81720 -40.27776 2.53944 2.20112 -40.37724 960.27161
3000.0000 -42.35717 -39.60885 2.74832 2.28878 -39.75307 980.58320
FREEZING PROCESS: loop number 13 T-loop= 948.00000000000000
main_MD> interactions number 13 at Temperature= 948.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.96070 -3.59327 3.99898
force_rgl> df(natom) -2.65021 2.18069 -0.01242
3005.0000 -42.70357 -40.18888 2.51468 2.23969 -40.10256 957.17337
3010.0000 -41.79746 -39.76240 2.03506 2.33604 -39.41654 1100.36206
3015.0000 -42.31450 -38.95327 3.36123 2.33291 -39.43881 1061.55822
3020.0000 -42.16879 -39.29313 2.87566 2.39828 -38.97339 1154.91648
3025.0000 -42.73472 -40.27386 2.46086 2.23391 -40.14372 914.22401
3030.0000 -42.79651 -40.22303 2.57348 2.17984 -40.52872 960.16910
3035.0000 -41.26504 -39.76398 1.50105 2.27527 -39.84923 1027.31413
3040.0000 -42.63187 -40.08916 2.54271 2.18194 -40.51376 907.87838
3045.0000 -42.36758 -40.22230 2.14527 2.22871 -40.18077 915.21736
3050.0000 -43.28850 -41.47135 1.81715 2.15773 -40.68619 900.81783
3055.0000 -43.23865 -40.59828 2.64038 2.13637 -40.83828 913.17256
3060.0000 -42.90412 -39.96600 2.93812 2.16384 -40.64266 913.42117
3065.0000 -42.23120 -39.89779 2.33341 2.26567 -39.91759 1024.39465
3070.0000 -41.33635 -39.63164 1.70471 2.29263 -39.72560 974.59411
3075.0000 -41.55183 -38.41272 3.13911 2.38813 -39.04564 1102.08415
3080.0000 -42.16751 -39.81688 2.35063 2.44710 -38.62576 1224.40470
3085.0000 -42.04379 -40.41451 1.62928 2.20347 -40.36049 868.56609
3090.0000 -42.47675 -40.09371 2.38304 2.22832 -40.18354 962.86257
3095.0000 -42.39631 -40.32291 2.07340 2.20293 -40.36430 942.28703
3100.0000 -42.72178 -40.45533 2.26646 2.17514 -40.56218 936.32885
3105.0000 -42.00206 -39.53912 2.46294 2.19912 -40.39146 921.18760
3110.0000 -42.03206 -40.32637 1.70569 2.25722 -39.97774 968.31717
3115.0000 -42.63675 -40.64090 1.99586 2.14804 -40.75516 883.55454
3120.0000 -42.27527 -39.54024 2.73503 2.25292 -40.00838 964.51772
3125.0000 -41.00091 -39.49395 1.50695 2.33626 -39.41500 996.32470
3130.0000 -42.18454 -40.07814 2.10640 2.29434 -39.71347 1035.54531
3135.0000 -42.53276 -40.76669 1.76608 2.19986 -40.38621 937.30139
3140.0000 -42.91789 -41.18687 1.73102 2.11275 -41.00646 808.05484
3145.0000 -42.88179 -40.86417 2.01763 2.20015 -40.38415 935.72979
3150.0000 -42.68736 -40.39004 2.29732 2.16338 -40.64594 868.54764
3155.0000 -41.72498 -40.43450 1.29049 2.16316 -40.64754 882.72552
3160.0000 -43.65822 -40.28062 3.37761 2.07656 -41.26412 785.80138
3165.0000 -42.81611 -40.52299 2.29312 2.20262 -40.36651 977.05111
3170.0000 -42.57093 -40.63009 1.94084 2.20348 -40.36044 956.76335
3175.0000 -43.25606 -41.28841 1.96764 2.17880 -40.53616 859.88949
3180.0000 -42.89940 -39.47027 3.42914 2.14807 -40.75496 873.32199
3185.0000 -42.13669 -39.48268 2.65400 2.28671 -39.76775 1008.36723
3190.0000 -41.30366 -39.51875 1.78491 2.30992 -39.60252 1004.75994
3195.0000 -41.77976 -38.49284 3.28692 2.40445 -38.92942 1095.21251
3200.0000 -42.84469 -40.62809 2.21661 2.32132 -39.52136 1064.17969
3205.0000 -43.08374 -41.12991 1.95384 2.15167 -40.72931 856.09008
3210.0000 -42.38603 -40.93789 1.44814 2.11747 -40.97285 882.16479
3215.0000 -42.63130 -40.58819 2.04312 2.09162 -41.15687 778.68046
3220.0000 -41.59814 -39.75334 1.84480 2.26555 -39.91847 1017.62845
3225.0000 -42.12732 -38.98624 3.14108 2.38054 -39.09968 1085.25189
3230.0000 -42.02328 -39.79353 2.22976 2.31832 -39.54273 975.97671
3235.0000 -41.96303 -39.24618 2.71685 2.31005 -39.60161 1016.90994
3240.0000 -42.86127 -40.41788 2.44339 2.29720 -39.69308 1001.71451
3245.0000 -43.76312 -41.27827 2.48484 2.10137 -41.08748 828.17353
3250.0000 -42.35028 -39.74355 2.60673 2.17540 -40.56035 867.69188
FREEZING PROCESS: loop number 14 T-loop= 923.00000000000000
main_MD> interactions number 14 at Temperature= 923.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.94087 -5.35932 -3.40475
force_rgl> df(natom) -1.47598 -0.30559 -2.12860
3255.0000 -42.06568 -40.09518 1.97050 2.24797 -40.04362 917.76377
3260.0000 -42.58844 -40.42456 2.16388 2.30127 -39.66412 977.89769
3265.0000 -42.80892 -40.46789 2.34104 2.21825 -40.25523 919.36203
3270.0000 -42.91262 -41.11820 1.79442 2.14912 -40.74750 878.41853
3275.0000 -43.67776 -41.79213 1.88562 2.07641 -41.26517 732.62196
3280.0000 -42.84685 -40.80430 2.04255 2.06418 -41.35228 783.43645
3285.0000 -43.11915 -40.59037 2.52878 2.17612 -40.55523 903.57624
3290.0000 -42.32303 -39.53821 2.78482 2.19798 -40.39958 935.86668
3295.0000 -41.64434 -39.42580 2.21854 2.31173 -39.58965 1063.67827
3300.0000 -42.22621 -40.02445 2.20176 2.21161 -40.30250 871.57207
3305.0000 -42.91142 -41.07427 1.83715 2.20134 -40.37563 942.58713
3310.0000 -43.23939 -41.53990 1.69949 2.06971 -41.31292 759.25920
3315.0000 -42.43846 -40.17412 2.26435 2.04362 -41.49870 777.93562
3320.0000 -42.03112 -39.38206 2.64906 2.30316 -39.65066 1012.52069
3325.0000 -43.68339 -41.22749 2.45590 2.15374 -40.71458 914.39954
3330.0000 -43.48793 -41.21574 2.27219 2.10973 -41.02796 811.03845
3335.0000 -43.30194 -41.12116 2.18078 2.08370 -41.21329 761.79088
3340.0000 -42.15661 -39.86778 2.28883 2.21467 -40.28071 969.05630
3345.0000 -43.18148 -40.15052 3.03096 2.24341 -40.07607 998.61287
3350.0000 -41.29566 -39.00054 2.29511 2.34352 -39.36329 1117.09882
3355.0000 -42.67023 -40.31268 2.35755 2.27364 -39.86082 979.70903
3360.0000 -42.60695 -41.07285 1.53410 2.18111 -40.51967 923.18084
3365.0000 -42.42281 -39.94868 2.47413 2.19023 -40.45475 904.90952
3370.0000 -41.92394 -39.80348 2.12047 2.28660 -39.76859 1010.79209
3375.0000 -42.50819 -40.34050 2.16769 2.20988 -40.31488 856.26838
3380.0000 -43.14311 -40.71184 2.43127 2.14102 -40.80518 924.33310
3385.0000 -43.32912 -40.15043 3.17869 2.17498 -40.56337 899.37213
3390.0000 -42.84036 -39.91337 2.92698 2.26325 -39.93483 1029.12315
3395.0000 -42.40000 -39.92765 2.47235 2.31786 -39.54600 1009.21161
3400.0000 -42.12158 -40.38899 1.73259 2.18403 -40.49892 908.79154
3405.0000 -42.55178 -40.22813 2.32366 2.12531 -40.91699 851.73963
3410.0000 -42.46753 -40.71097 1.75656 2.11670 -40.97830 837.27089
3415.0000 -43.12034 -40.75222 2.36813 2.14874 -40.75015 889.24181
3420.0000 -42.58810 -41.00341 1.58469 2.16324 -40.64696 901.47127
3425.0000 -43.23883 -41.00262 2.23620 2.06014 -41.38108 794.72628
3430.0000 -42.09253 -40.24753 1.84500 2.15200 -40.72696 876.25172
3435.0000 -43.09217 -41.11275 1.97942 2.16499 -40.63449 908.53722
3440.0000 -42.69484 -40.64206 2.05278 2.16417 -40.64029 903.64391
3445.0000 -43.28750 -41.18805 2.09945 2.11598 -40.98343 812.01705
3450.0000 -42.71281 -40.04475 2.66805 2.21648 -40.26786 975.06686
3455.0000 -42.57032 -40.66198 1.90834 2.19987 -40.38609 973.39260
3460.0000 -42.62310 -39.62468 2.99842 2.26248 -39.94031 1049.20628
3465.0000 -41.35663 -39.72256 1.63407 2.29004 -39.74408 1005.38038
3470.0000 -43.55085 -41.24817 2.30268 2.17052 -40.59510 900.51315
3475.0000 -43.54595 -41.47043 2.07552 2.04149 -41.51384 724.00197
3480.0000 -43.35548 -41.02223 2.33325 2.08575 -41.19871 816.41185
3485.0000 -42.82485 -40.87556 1.94929 2.14937 -40.74569 824.48327
3490.0000 -43.65423 -41.06649 2.58775 2.18823 -40.46903 986.77842
3495.0000 -43.35283 -41.29886 2.05397 2.09547 -41.12945 830.70290
3500.0000 -43.40426 -41.07769 2.32657 2.05761 -41.39907 805.39048
FREEZING PROCESS: loop number 15 T-loop= 898.00000000000000
main_MD> interactions number 15 at Temperature= 898.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33355 1.09284 -6.53736
force_rgl> df(natom) -2.02550 -3.02289 1.92562
3505.0000 -42.71252 -40.01409 2.69843 2.19124 -40.44754 965.47760
3510.0000 -41.65177 -39.68522 1.96654 2.22569 -40.20224 816.95276
3515.0000 -43.05356 -41.26213 1.79143 2.24143 -40.09021 990.77845
3520.0000 -43.24772 -40.53222 2.71550 2.09896 -41.10461 788.67446
3525.0000 -42.66204 -40.41094 2.25109 2.18996 -40.45671 927.89421
3530.0000 -42.76766 -40.78127 1.98639 2.19690 -40.40723 902.60393
3535.0000 -43.68063 -41.33796 2.34267 2.11786 -40.97004 863.58425
3540.0000 -42.90577 -40.69202 2.21374 2.08310 -41.21756 829.84211
3545.0000 -43.06215 -40.36952 2.69263 2.23350 -40.14668 954.96662
3550.0000 -42.86611 -40.07436 2.79175 2.20632 -40.34021 925.88247
3555.0000 -42.36453 -40.27375 2.09079 2.25562 -39.98914 980.23866
3560.0000 -41.91815 -39.76018 2.15797 2.19300 -40.43505 939.91424
3565.0000 -43.11271 -40.63853 2.47418 2.23977 -40.10202 976.66261
3570.0000 -43.14920 -41.04393 2.10528 2.17615 -40.55504 909.54369
3575.0000 -43.96569 -42.03739 1.92830 2.04435 -41.49345 759.72888
3580.0000 -43.91208 -41.62721 2.28487 1.99618 -41.83650 696.92192
3585.0000 -43.87744 -41.78517 2.09227 1.96551 -42.05484 678.46954
3590.0000 -42.87057 -40.72542 2.14515 2.05064 -41.44868 775.84019
3595.0000 -43.60474 -42.25944 1.34530 2.05774 -41.39816 753.26773
3600.0000 -42.95531 -40.76726 2.18805 2.03192 -41.58197 767.75135
3605.0000 -42.11302 -40.35444 1.75858 2.14089 -40.80609 877.92721
3610.0000 -42.98677 -40.90175 2.08502 2.19291 -40.43570 909.88771
3615.0000 -41.56975 -39.54445 2.02529 2.16917 -40.60469 857.95509
3620.0000 -42.58591 -40.39403 2.19188 2.22546 -40.20389 838.62122
3625.0000 -42.44752 -39.57712 2.87039 2.21584 -40.27240 961.59539
3630.0000 -41.62193 -38.96698 2.65494 2.36889 -39.18264 1101.56426
3635.0000 -43.20409 -40.22274 2.98135 2.30125 -39.66424 1026.84908
3640.0000 -43.01763 -40.62786 2.38977 2.17947 -40.53137 919.88724
3645.0000 -41.71287 -39.65828 2.05459 2.26481 -39.92373 1002.40320
3650.0000 -42.84377 -40.47440 2.36937 2.22345 -40.21821 935.79330
3655.0000 -42.08226 -40.12046 1.96180 2.24909 -40.03567 935.37809
3660.0000 -43.21886 -40.77671 2.44215 2.20154 -40.37422 938.43755
3665.0000 -42.87008 -41.31121 1.55886 2.09441 -41.13701 790.02398
3670.0000 -41.50367 -39.48398 2.01968 2.23030 -40.16941 884.99259
3675.0000 -41.69437 -39.38805 2.30632 2.30769 -39.61843 998.64673
3680.0000 -42.10976 -39.78088 2.32888 2.24612 -40.05682 951.45809
3685.0000 -42.53971 -40.51258 2.02713 2.20007 -40.38472 940.09596
3690.0000 -42.63612 -40.39800 2.23813 2.16686 -40.62113 907.52175
3695.0000 -42.67228 -40.78715 1.88513 2.16610 -40.62657 891.29029
3700.0000 -42.85482 -41.25866 1.59616 2.11219 -41.01043 823.55869
3705.0000 -43.19587 -40.67100 2.52487 2.08551 -41.20040 799.61095
3710.0000 -41.99009 -40.40476 1.58532 2.17879 -40.53623 942.81348
3715.0000 -42.87006 -40.74622 2.12385 2.15167 -40.72935 898.93592
3720.0000 -42.64375 -40.92807 1.71569 2.16785 -40.61413 841.81801
3725.0000 -43.00374 -39.97615 3.02759 2.16596 -40.62755 875.93960
3730.0000 -41.87280 -39.10444 2.76836 2.33965 -39.39081 1044.28602
3735.0000 -42.30320 -39.64472 2.65849 2.32825 -39.47204 1075.84172
3740.0000 -41.91470 -39.75484 2.15986 2.31622 -39.55767 966.50454
3745.0000 -43.02682 -40.65950 2.36732 2.19919 -40.39093 928.81193
3750.0000 -42.55449 -40.54457 2.00992 2.13447 -40.85181 858.85661
FREEZING PROCESS: loop number 16 T-loop= 873.00000000000000
main_MD> interactions number 16 at Temperature= 873.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.34949 0.41854 1.05085
force_rgl> df(natom) -1.51271 -2.73544 -1.03955
3755.0000 -42.06442 -39.95375 2.11066 2.14739 -40.75980 862.84807
3760.0000 -42.33978 -40.01142 2.32836 2.24853 -40.03963 965.48452
3765.0000 -43.09200 -40.53834 2.55366 2.25948 -39.96166 952.36586
3770.0000 -43.17352 -41.31395 1.85957 2.17708 -40.54836 936.03166
3775.0000 -43.75049 -41.89006 1.86043 2.08057 -41.23559 795.26268
3780.0000 -43.24910 -41.34374 1.90536 2.08598 -41.19705 813.93637
3785.0000 -42.95372 -40.74539 2.20832 2.09973 -41.09914 834.92146
3790.0000 -42.33068 -40.30207 2.02861 2.21900 -40.24993 940.87467
3795.0000 -42.67875 -40.30009 2.37866 2.23649 -40.12537 914.31728
3800.0000 -42.91562 -39.81425 3.10138 2.30219 -39.65757 1038.21023
3805.0000 -42.28439 -39.84343 2.44097 2.19425 -40.42612 908.67249
3810.0000 -41.85364 -39.27242 2.58122 2.27301 -39.86533 993.79990
3815.0000 -42.51647 -40.02870 2.48776 2.22632 -40.19778 821.71634
3820.0000 -43.09056 -40.86133 2.22924 2.20424 -40.35504 926.53092
3825.0000 -43.37193 -41.45115 1.92078 2.11563 -40.98592 825.43990
3830.0000 -43.01034 -40.72361 2.28673 2.10388 -41.06958 794.96901
3835.0000 -42.54533 -40.57935 1.96598 2.18651 -40.48121 933.05831
3840.0000 -42.12061 -40.08443 2.03618 2.16560 -40.63014 892.81375
3845.0000 -42.63470 -40.53371 2.10099 2.22585 -40.20114 908.03209
3850.0000 -42.74386 -40.05969 2.68416 2.24174 -40.08799 997.71589
3855.0000 -42.42194 -39.78963 2.63231 2.26872 -39.89591 975.43556
3860.0000 -43.03334 -40.52891 2.50443 2.30095 -39.66642 978.28726
3865.0000 -42.84607 -40.99287 1.85319 2.11899 -40.96204 826.86331
3870.0000 -43.24169 -40.92157 2.32012 2.08796 -41.18295 812.56157
3875.0000 -42.93297 -40.85066 2.08230 2.09620 -41.12429 814.56245
3880.0000 -43.11303 -40.98568 2.12736 2.10814 -41.03929 806.00154
3885.0000 -42.68934 -40.63693 2.05242 2.16195 -40.65612 834.15764
3890.0000 -43.19690 -40.80700 2.38989 2.12993 -40.88412 787.21811
3895.0000 -43.27467 -40.80008 2.47459 2.15549 -40.70213 864.20255
3900.0000 -43.40735 -40.94157 2.46577 2.12003 -40.95463 857.34769
3905.0000 -42.28598 -40.31081 1.97517 2.20306 -40.36337 939.44576
3910.0000 -42.53715 -40.27739 2.25975 2.19379 -40.42942 926.81455
3915.0000 -42.97882 -41.22991 1.74891 2.11132 -41.01660 894.21519
3920.0000 -42.43157 -40.73871 1.69286 2.16122 -40.66135 876.93153
3925.0000 -42.86272 -41.43553 1.42718 2.12470 -40.92138 810.80764
3930.0000 -42.72764 -40.12085 2.60679 2.14018 -40.81114 891.95532
3935.0000 -42.50567 -40.34470 2.16097 2.21417 -40.28426 1014.26283
3940.0000 -43.39015 -40.87661 2.51354 2.21170 -40.30185 977.67654
3945.0000 -42.58608 -40.98374 1.60235 2.14068 -40.80755 834.17675
3950.0000 -42.31255 -40.12029 2.19226 2.18878 -40.46509 900.22676
3955.0000 -41.94460 -39.85629 2.08831 2.25478 -39.99511 1017.03065
3960.0000 -43.33434 -40.72982 2.60452 2.21479 -40.27989 954.70188
3965.0000 -43.12137 -40.90607 2.21530 2.12000 -40.95486 792.74486
3970.0000 -43.28140 -40.09730 3.18411 2.17813 -40.54091 850.50451
3975.0000 -42.93919 -40.80309 2.13610 2.23838 -40.11190 909.76074
3980.0000 -43.20962 -41.11679 2.09283 2.16504 -40.63413 854.56776
3985.0000 -43.04106 -41.25078 1.79028 2.13396 -40.85545 820.47726
3990.0000 -43.29151 -40.98423 2.30728 2.09398 -41.14007 842.79587
3995.0000 -42.96354 -40.63000 2.33354 2.13463 -40.85066 875.91663
4000.0000 -41.65915 -39.36081 2.29834 2.20203 -40.37072 903.84744
FREEZING PROCESS: loop number 17 T-loop= 848.00000000000000
main_MD> interactions number 17 at Temperature= 848.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66424 0.25409 0.25868
force_rgl> df(natom) 2.22642 -6.20642 -0.24018
4005.0000 -43.35151 -41.09610 2.25541 2.28592 -39.77344 934.33121
4010.0000 -42.36943 -40.51823 1.85120 2.17600 -40.55610 903.00791
4015.0000 -42.64427 -41.09086 1.55341 2.15130 -40.73196 881.28834
4020.0000 -43.36213 -41.71662 1.64552 2.05514 -41.41664 781.19645
4025.0000 -43.96074 -43.01786 0.94288 1.98380 -41.92463 675.49506
4030.0000 -43.80350 -41.96759 1.83592 1.91374 -42.42350 604.25432
4035.0000 -42.72716 -40.60885 2.11831 2.12042 -40.95185 832.98524
4040.0000 -41.87910 -39.76576 2.11334 2.20670 -40.33748 903.30248
4045.0000 -43.01991 -40.55892 2.46099 2.23369 -40.14528 968.46743
4050.0000 -42.87875 -40.63444 2.24431 2.10414 -41.06777 814.74944
4055.0000 -42.10331 -40.50886 1.59445 2.16498 -40.63452 928.86158
4060.0000 -44.05004 -42.05492 1.99512 2.11803 -40.96883 863.35527
4065.0000 -43.03150 -41.28685 1.74465 2.01668 -41.69051 659.36197
4070.0000 -42.98090 -40.26950 2.71140 2.15742 -40.68839 880.68514
4075.0000 -42.48301 -41.02382 1.45919 2.17750 -40.54541 946.65721
4080.0000 -43.48431 -41.29164 2.19267 2.09386 -41.14092 745.59530
4085.0000 -43.26345 -41.20385 2.05960 2.12021 -40.95330 843.45104
4090.0000 -43.32005 -40.86002 2.46003 2.11808 -40.96848 848.25835
4095.0000 -42.97901 -41.30575 1.67326 2.13011 -40.88286 807.53272
4100.0000 -42.61935 -40.76057 1.85877 2.13588 -40.84173 867.71089
4105.0000 -43.22296 -41.40519 1.81777 2.11466 -40.99285 827.76950
4110.0000 -43.21346 -41.03209 2.18137 2.09164 -41.15676 779.63639
4115.0000 -42.80600 -40.46294 2.34307 2.15817 -40.68304 834.23383
4120.0000 -43.54241 -41.80813 1.73428 2.12943 -40.88768 851.69331
4125.0000 -44.03535 -41.99030 2.04505 1.99975 -41.81105 766.07737
4130.0000 -43.94435 -41.56044 2.38391 2.02457 -41.63432 774.60052
4135.0000 -43.71417 -41.36660 2.34757 2.01525 -41.70071 784.52782
4140.0000 -43.20543 -40.94441 2.26101 2.06901 -41.31787 806.47929
4145.0000 -43.85404 -41.68894 2.16510 2.05929 -41.38713 748.65565
4150.0000 -43.95430 -41.88487 2.06943 2.01627 -41.69343 692.29379
4155.0000 -42.43940 -40.24028 2.19912 2.05220 -41.43757 732.78024
4160.0000 -42.59659 -40.57732 2.01927 2.21110 -40.30614 903.36351
4165.0000 -43.40614 -41.21913 2.18702 2.13525 -40.84625 891.80468
4170.0000 -42.50876 -40.29842 2.21034 2.14307 -40.79058 882.95326
4175.0000 -43.36561 -41.67219 1.69343 2.07904 -41.24644 814.97509
4180.0000 -43.77949 -42.14284 1.63664 1.97475 -41.98902 687.48027
4185.0000 -42.79588 -40.90430 1.89158 2.03682 -41.54712 712.19383
4190.0000 -42.35449 -40.66569 1.68879 2.16978 -40.60036 831.39749
4195.0000 -43.16180 -41.48629 1.67551 2.13123 -40.87483 853.12616
4200.0000 -42.50742 -40.76333 1.74408 2.08004 -41.23935 778.44467
4205.0000 -42.14537 -40.18309 1.96228 2.18057 -40.52352 915.42741
4210.0000 -43.41615 -41.20614 2.21001 2.13649 -40.83744 831.88910
4215.0000 -42.65149 -40.84368 1.80781 2.08653 -41.19317 774.93146
4220.0000 -43.38408 -41.32976 2.05431 2.09887 -41.10529 792.75569
4225.0000 -43.42207 -41.75885 1.66322 2.05158 -41.44202 752.19360
4230.0000 -43.41758 -41.96176 1.45582 1.96321 -42.07123 652.96473
4235.0000 -42.96609 -40.99477 1.97131 2.03227 -41.57951 720.36772
4240.0000 -43.11423 -41.40656 1.70767 2.09415 -41.13892 866.05279
4245.0000 -42.89218 -40.89852 1.99366 2.02852 -41.60618 848.37964
4250.0000 -42.77419 -41.26710 1.50710 2.12205 -40.94025 831.39445
FREEZING PROCESS: loop number 18 T-loop= 823.00000000000000
main_MD> interactions number 18 at Temperature= 823.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39677 -1.90287 2.84126
force_rgl> df(natom) 1.89671 0.69617 -2.14714
4255.0000 -43.12110 -41.07413 2.04698 2.07562 -41.27079 807.50681
4260.0000 -43.47413 -42.14248 1.33164 2.00641 -41.76365 722.44572
4265.0000 -43.87015 -42.13303 1.73712 1.99018 -41.87922 765.79148
4270.0000 -43.49653 -41.82243 1.67410 2.02396 -41.63868 743.48650
4275.0000 -43.12841 -41.29170 1.83671 2.08703 -41.18958 807.93496
4280.0000 -42.70007 -40.51479 2.18527 2.08316 -41.21714 764.77374
4285.0000 -43.21157 -41.21918 1.99239 2.15683 -40.69256 898.28252
4290.0000 -43.06061 -41.10232 1.95829 2.06697 -41.33240 767.93272
4295.0000 -42.49117 -40.06220 2.42897 2.15803 -40.68405 870.53071
4300.0000 -41.60663 -39.81492 1.79170 2.27313 -39.86445 1031.90569
4305.0000 -43.05066 -41.18474 1.86592 2.21892 -40.25045 889.45672
4310.0000 -42.74377 -40.17201 2.57176 2.17319 -40.57612 876.11482
4315.0000 -41.50647 -39.02763 2.47883 2.25083 -40.02326 939.39570
4320.0000 -43.17590 -41.10936 2.06654 2.19219 -40.44083 880.05811
4325.0000 -43.33451 -41.28232 2.05219 2.08723 -41.18813 832.31871
4330.0000 -43.15754 -40.83833 2.31921 2.06707 -41.33174 784.72078
4335.0000 -41.92570 -39.52468 2.40102 2.25402 -40.00058 972.68581
4340.0000 -43.00255 -40.20494 2.79761 2.29011 -39.74359 1022.47808
4345.0000 -42.33058 -40.45319 1.87739 2.13782 -40.82793 861.81926
4350.0000 -42.85039 -40.25917 2.59122 2.20270 -40.36596 874.88465
4355.0000 -42.32270 -40.37996 1.94274 2.18854 -40.46677 906.62811
4360.0000 -42.73899 -40.52266 2.21633 2.18456 -40.49510 954.59813
4365.0000 -43.20224 -41.39512 1.80712 2.13306 -40.86180 839.59878
4370.0000 -42.76634 -41.51209 1.25424 2.06020 -41.38065 770.82539
4375.0000 -43.78060 -41.41371 2.36689 2.07578 -41.26966 769.90984
4380.0000 -43.07450 -41.22517 1.84933 2.08620 -41.19551 788.59672
4385.0000 -43.09573 -41.41824 1.67749 2.10297 -41.07608 815.24383
4390.0000 -43.35038 -41.21888 2.13151 2.08715 -41.18869 775.48339
4395.0000 -42.53917 -40.60302 1.93615 2.09717 -41.11740 826.33190
4400.0000 -42.65776 -40.71445 1.94331 2.16131 -40.66071 872.14146
4405.0000 -44.25791 -42.00794 2.24996 2.01439 -41.70682 726.00785
4410.0000 -43.59590 -41.59530 2.00060 1.98134 -41.94214 717.86275
4415.0000 -44.16120 -42.37005 1.79115 2.09874 -41.10622 842.30567
4420.0000 -43.28455 -41.65253 1.63202 1.97320 -42.00008 671.95529
4425.0000 -42.65154 -40.74322 1.90832 2.09329 -41.14500 809.00887
4430.0000 -42.86116 -41.19943 1.66174 2.12772 -40.89988 826.02226
4435.0000 -42.41084 -40.90298 1.50786 2.12384 -40.92751 826.81116
4440.0000 -43.24732 -40.81649 2.43083 2.11406 -40.99714 844.01681
4445.0000 -42.90281 -40.91056 1.99225 2.03055 -41.59172 729.37832
4450.0000 -43.43859 -41.57071 1.86788 2.08261 -41.22106 753.89987
4455.0000 -42.85525 -41.32355 1.53170 2.05690 -41.40413 785.51795
4460.0000 -43.01867 -41.17735 1.84132 2.11054 -41.02218 825.87854
4465.0000 -43.27228 -40.64000 2.63228 2.15150 -40.73052 894.19300
4470.0000 -43.40655 -41.20472 2.20183 2.09887 -41.10531 800.44390
4475.0000 -43.59394 -41.27716 2.31679 2.05991 -41.38271 764.54747
4480.0000 -42.93282 -40.92223 2.01060 2.10666 -41.04981 848.65944
4485.0000 -43.05773 -40.92996 2.12777 2.09993 -41.09771 792.79098
4490.0000 -42.70337 -41.03127 1.67209 2.17003 -40.59857 913.19777
4495.0000 -42.91067 -40.53322 2.37744 2.11402 -40.99739 817.63119
4500.0000 -43.29514 -41.05964 2.23550 2.14535 -40.77432 884.43166
FREEZING PROCESS: loop number 19 T-loop= 798.00000000000000
main_MD> interactions number 19 at Temperature= 798.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11591 1.04197 2.08021
force_rgl> df(natom) 2.06339 -1.35108 -2.12853
4505.0000 -43.52370 -41.13235 2.39135 2.04584 -41.48286 793.05767
4510.0000 -43.19923 -40.79560 2.40363 2.10950 -41.02960 852.43298
4515.0000 -43.24370 -41.70054 1.54316 2.07049 -41.30735 753.48739
4520.0000 -43.55434 -41.44756 2.10678 1.96347 -42.06937 675.29443
4525.0000 -43.60676 -41.71720 1.88957 1.97549 -41.98380 655.83150
4530.0000 -42.89855 -41.29752 1.60103 2.06739 -41.32945 771.92040
4535.0000 -43.75566 -41.79516 1.96051 1.95476 -42.13138 658.99678
4540.0000 -43.86364 -42.20322 1.66042 1.99198 -41.86637 711.10314
4545.0000 -42.89135 -41.46490 1.42645 2.03111 -41.58775 721.95299
4550.0000 -42.81805 -40.59596 2.22209 2.06629 -41.33724 822.14781
4555.0000 -43.58623 -41.03597 2.55026 2.16833 -40.61073 836.31667
4560.0000 -43.17024 -40.45061 2.71963 2.12630 -40.90999 841.17713
4565.0000 -42.34009 -40.02959 2.31051 2.17467 -40.56555 844.26286
4570.0000 -42.57989 -39.89990 2.67999 2.24590 -40.05834 967.52654
4575.0000 -42.32461 -40.13073 2.19388 2.23721 -40.12023 958.15736
4580.0000 -43.56838 -41.36568 2.20270 2.14315 -40.78995 880.90711
4585.0000 -43.91333 -41.20777 2.70556 2.04255 -41.50629 761.19338
4590.0000 -43.46269 -41.49704 1.96565 2.06387 -41.35448 782.62342
4595.0000 -43.06858 -41.96326 1.10532 2.00071 -41.80419 715.96303
4600.0000 -43.59762 -41.86636 1.73126 1.98759 -41.89760 663.85035
4605.0000 -43.00054 -41.23399 1.76655 1.97926 -41.95691 665.66779
4610.0000 -43.65697 -41.52700 2.12997 2.06146 -41.37165 763.90013
4615.0000 -43.13357 -41.02045 2.11312 2.10504 -41.06134 855.13534
4620.0000 -43.51151 -41.81965 1.69186 2.03143 -41.58546 763.89029
4625.0000 -43.48096 -41.50379 1.97717 2.02983 -41.59688 776.74478
4630.0000 -43.98143 -41.87953 2.10190 2.01974 -41.66873 755.13952
4635.0000 -44.05805 -42.32212 1.73593 2.00784 -41.75341 803.42750
4640.0000 -44.34793 -42.60769 1.74024 1.89899 -42.52849 656.19467
4645.0000 -44.41990 -42.29430 2.12560 1.92808 -42.32133 684.80114
4650.0000 -43.05084 -40.90817 2.14267 1.99981 -41.81065 814.89440
4655.0000 -42.66126 -40.71144 1.94982 2.13336 -40.85971 838.49602
4660.0000 -42.11806 -39.91745 2.20061 2.20755 -40.33146 932.38768
4665.0000 -43.71773 -41.59308 2.12465 2.12438 -40.92362 828.50670
4670.0000 -43.49040 -41.89167 1.59873 2.05455 -41.42084 754.56842
4675.0000 -43.57549 -41.76792 1.80758 1.99791 -41.82416 717.56149
4680.0000 -44.08727 -41.97417 2.11310 1.98838 -41.89198 728.31744
4685.0000 -43.34251 -41.61239 1.73013 1.95238 -42.14834 657.97510
4690.0000 -43.53818 -41.91418 1.62401 2.02933 -41.60046 763.47816
4695.0000 -43.78499 -42.26664 1.51835 1.94668 -42.18891 651.13257
4700.0000 -42.82953 -41.03679 1.79274 2.03380 -41.56857 758.78914
4705.0000 -43.92840 -41.93455 1.99386 2.06058 -41.37790 751.47195
4710.0000 -43.33450 -42.00119 1.33332 2.02829 -41.60786 758.96112
4715.0000 -43.85070 -41.82322 2.02748 2.00641 -41.76362 743.47246
4720.0000 -43.46662 -41.69977 1.76685 2.00560 -41.76936 717.96733
4725.0000 -42.89719 -41.26699 1.63020 2.04308 -41.50250 760.34624
4730.0000 -43.38504 -41.30851 2.07653 2.07213 -41.29566 779.12088
4735.0000 -43.36599 -41.42937 1.93662 2.09420 -41.13850 823.20475
4740.0000 -43.13137 -41.65932 1.47206 2.03267 -41.57663 738.28063
4745.0000 -43.39867 -42.07545 1.32322 2.04290 -41.50378 729.62120
4750.0000 -41.93035 -39.92060 2.00975 2.14318 -40.78978 830.30385
FREEZING PROCESS: loop number 20 T-loop= 773.00000000000000
main_MD> interactions number 20 at Temperature= 773.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05823 -1.70000 -3.60654
force_rgl> df(natom) -1.81830 -2.90223 1.38216
4755.0000 -43.10841 -41.53279 1.57562 2.14604 -40.76938 908.42042
4760.0000 -43.66536 -41.37092 2.29444 2.08584 -41.19808 842.47908
4765.0000 -43.40276 -41.49593 1.90683 2.02460 -41.63412 720.46441
4770.0000 -43.31726 -41.79663 1.52062 2.03357 -41.57021 758.63894
4775.0000 -43.05407 -40.84856 2.20551 2.04692 -41.47514 780.01112
4780.0000 -42.55007 -40.31894 2.23113 2.14786 -40.75647 840.82987
4785.0000 -43.80981 -41.89990 1.90991 2.11952 -40.95823 857.69120
4790.0000 -43.18620 -41.29795 1.88825 2.02561 -41.62688 728.66376
4795.0000 -42.91597 -41.06542 1.85056 2.11774 -40.97091 859.57910
4800.0000 -42.49199 -40.48161 2.01037 2.13071 -40.87859 866.17690
4805.0000 -43.52733 -41.62241 1.90492 2.10062 -41.09280 852.29049
4810.0000 -43.90668 -42.41887 1.48782 1.95034 -42.16288 708.25986
4815.0000 -43.86655 -42.17828 1.68827 1.93005 -42.30736 699.67795
4820.0000 -43.24675 -41.64818 1.59857 1.97018 -42.02162 692.89775
4825.0000 -43.66823 -41.33714 2.33109 2.00424 -41.77909 704.87395
4830.0000 -43.63353 -41.96663 1.66689 2.00816 -41.75117 752.67400
4835.0000 -43.53194 -41.84589 1.68605 1.96188 -42.08066 728.41383
4840.0000 -43.33433 -42.01825 1.31609 1.97409 -41.99376 658.46577
4845.0000 -43.05604 -41.49900 1.55704 2.07190 -41.29733 746.18709
4850.0000 -42.87317 -40.81430 2.05887 2.10384 -41.06989 782.43107
4855.0000 -42.58237 -40.37764 2.20473 2.17703 -40.54878 873.87804
4860.0000 -43.11968 -41.52219 1.59750 2.14101 -40.80519 823.26864
4865.0000 -43.28036 -41.03935 2.24102 2.13068 -40.87881 870.21083
4870.0000 -42.93062 -41.24447 1.68615 2.12019 -40.95350 863.46357
4875.0000 -43.42416 -41.73843 1.68573 2.05344 -41.42878 762.67635
4880.0000 -42.52010 -40.79049 1.72961 2.13111 -40.87568 780.81867
4885.0000 -42.83348 -41.47662 1.35686 2.11478 -40.99199 818.69631
4890.0000 -43.46751 -41.40080 2.06671 2.02691 -41.61767 756.29674
4895.0000 -43.60672 -42.25077 1.35595 2.02000 -41.66689 722.15814
4900.0000 -44.30937 -41.99374 2.31563 1.98622 -41.90739 689.03478
4905.0000 -44.01377 -42.06033 1.95344 1.96781 -42.03846 708.88294
4910.0000 -43.45414 -41.36287 2.09127 2.00547 -41.77033 742.87610
4915.0000 -42.48431 -40.70220 1.78211 2.11227 -41.00986 817.85959
4920.0000 -42.26824 -40.34274 1.92550 2.18521 -40.49052 899.23106
4925.0000 -43.20073 -40.30514 2.89559 2.24478 -40.06638 971.34711
4930.0000 -43.22492 -40.48316 2.74176 2.19325 -40.43327 898.61620
4935.0000 -42.92941 -41.09880 1.83061 2.15614 -40.69746 897.05719
4940.0000 -43.00449 -41.30156 1.70293 2.08402 -41.21099 824.07820
4945.0000 -43.73600 -41.65708 2.07891 2.03703 -41.54563 728.78171
4950.0000 -43.21790 -40.79672 2.42118 2.07079 -41.30524 808.98704
4955.0000 -43.56941 -41.13883 2.43059 2.07971 -41.24172 828.69512
4960.0000 -43.05998 -41.16036 1.89963 2.05319 -41.43055 775.21901
4965.0000 -43.75344 -42.48942 1.26402 1.92999 -42.30778 609.28487
4970.0000 -43.65576 -40.79165 2.86411 2.00249 -41.79156 716.47592
4975.0000 -43.37455 -41.59602 1.77853 2.07766 -41.25631 846.21154
4980.0000 -43.81310 -41.71053 2.10257 2.03635 -41.55046 741.17007
4985.0000 -43.23385 -41.42183 1.81202 2.04793 -41.46798 761.32584
4990.0000 -43.01521 -40.69026 2.32494 2.09848 -41.10804 845.24286
4995.0000 -42.21795 -40.87605 1.34190 2.12655 -40.90817 828.34659
5000.0000 -43.25989 -41.56863 1.69126 2.06132 -41.37261 775.16470
FREEZING PROCESS: loop number 21 T-loop= 748.00000000000000
main_MD> interactions number 21 at Temperature= 748.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60896 -2.81944 -1.36280
force_rgl> df(natom) -2.75189 2.93930 1.99873
5005.0000 -42.83934 -41.18851 1.65082 2.08438 -41.20845 802.68941
5010.0000 -42.17328 -40.57887 1.59441 2.12184 -40.94175 847.15830
5015.0000 -43.20855 -41.36345 1.84509 2.13602 -40.84075 871.31032
5020.0000 -43.19358 -41.45095 1.74263 2.05508 -41.41704 747.76399
5025.0000 -43.77999 -41.79164 1.98835 2.04471 -41.49093 750.72769
5030.0000 -43.69197 -41.43557 2.25640 2.06424 -41.35186 846.09071
5035.0000 -42.92462 -40.98111 1.94352 2.10734 -41.04494 862.74126
5040.0000 -42.92183 -41.36078 1.56105 2.04998 -41.45336 728.96263
5045.0000 -43.96891 -42.14631 1.82260 2.04150 -41.51376 800.49213
5050.0000 -43.88311 -42.29361 1.58950 1.97291 -42.00213 690.44066
5055.0000 -43.82607 -41.89645 1.92961 1.94736 -42.18409 663.17210
5060.0000 -43.01929 -41.28198 1.73731 2.03882 -41.53288 733.58926
5065.0000 -43.45810 -41.37174 2.08636 2.03592 -41.55353 770.95781
5070.0000 -43.72422 -41.35104 2.37318 2.06016 -41.38093 755.52704
5075.0000 -43.66588 -41.61704 2.04884 2.07245 -41.29338 766.98826
5080.0000 -43.70710 -41.71493 1.99217 2.02420 -41.63695 751.38540
5085.0000 -42.95455 -41.14271 1.81184 2.07962 -41.24232 841.46847
5090.0000 -43.89565 -41.55135 2.34429 2.02793 -41.61042 762.73878
5095.0000 -43.99706 -41.63437 2.36269 2.00252 -41.79130 799.90407
5100.0000 -43.18620 -41.79871 1.38750 1.99848 -41.82006 741.74527
5105.0000 -43.66171 -41.49010 2.17161 1.98590 -41.90966 711.86710
5110.0000 -43.35350 -41.46475 1.88876 2.04027 -41.52252 677.28006
5115.0000 -42.89396 -41.04150 1.85247 2.11761 -40.97187 807.51545
5120.0000 -43.96715 -42.18280 1.78435 2.04276 -41.50482 716.85282
5125.0000 -43.31049 -41.07472 2.23577 1.99868 -41.81866 686.18129
5130.0000 -43.00629 -41.34052 1.66577 2.06373 -41.35550 808.01535
5135.0000 -44.03735 -41.92836 2.10899 2.04714 -41.47358 752.88713
5140.0000 -44.09820 -42.65069 1.44752 1.91255 -42.43192 606.52553
5145.0000 -43.64464 -42.04640 1.59824 1.90088 -42.51506 602.02264
5150.0000 -43.54150 -41.84670 1.69480 2.00446 -41.77753 673.57113
5155.0000 -43.72845 -42.16037 1.56808 1.95461 -42.13246 638.07232
5160.0000 -43.49134 -41.48073 2.01061 2.03412 -41.56632 759.03888
5165.0000 -43.26069 -41.04112 2.21957 2.10730 -41.04527 870.48845
5170.0000 -43.01627 -40.65788 2.35839 2.12911 -40.88997 858.10886
5175.0000 -43.07433 -40.82217 2.25216 2.13155 -40.87261 843.25296
5180.0000 -44.05007 -42.08642 1.96365 2.08346 -41.21503 856.92811
5185.0000 -43.89638 -42.11030 1.78607 1.96945 -42.02678 685.22725
5190.0000 -43.20722 -41.24728 1.95995 2.01245 -41.72062 723.38979
5195.0000 -42.43017 -41.05652 1.37365 2.05522 -41.41604 782.39656
5200.0000 -42.33892 -40.31792 2.02100 2.13109 -40.87584 839.53530
5205.0000 -42.72499 -40.87423 1.85076 2.19668 -40.40880 861.22593
5210.0000 -44.06510 -42.06267 2.00243 2.11083 -41.02012 866.23365
5215.0000 -43.37798 -41.94653 1.43145 2.00617 -41.76535 700.89225
5220.0000 -43.90590 -41.73554 2.17037 2.00647 -41.76319 719.29947
5225.0000 -42.93305 -41.73467 1.19838 1.99479 -41.84635 701.21105
5230.0000 -43.62645 -41.92078 1.70568 2.01638 -41.69262 733.02635
5235.0000 -43.82118 -42.17620 1.64498 1.92035 -42.37641 596.93505
5240.0000 -43.75725 -42.07616 1.68109 1.98282 -41.93160 703.77793
5245.0000 -43.78309 -41.85138 1.93171 1.97181 -42.00998 645.46664
5250.0000 -43.85765 -42.84769 1.00996 1.92848 -42.31849 621.10740
FREEZING PROCESS: loop number 22 T-loop= 723.00000000000000
main_MD> interactions number 22 at Temperature= 723.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.65738 -0.89059 2.39182
force_rgl> df(natom) -1.21210 -8.02473 -3.88303
5255.0000 -43.82602 -42.32506 1.50096 1.95216 -42.14991 619.16231
5260.0000 -43.60743 -42.19912 1.40831 1.94357 -42.21107 632.13660
5265.0000 -43.66596 -42.54194 1.12402 1.92761 -42.32468 625.21554
5270.0000 -44.24738 -42.29973 1.94765 1.90811 -42.46352 609.89279
5275.0000 -43.96977 -42.14077 1.82900 1.95415 -42.13573 721.89424
5280.0000 -43.71884 -42.19783 1.52101 1.97348 -41.99813 783.29625
5285.0000 -43.72817 -41.87599 1.85218 1.98886 -41.88860 710.73234
5290.0000 -43.93233 -42.44019 1.49214 1.99573 -41.83967 693.97365
5295.0000 -43.90646 -42.10455 1.80191 1.92870 -42.31694 657.86242
5300.0000 -44.14224 -42.80338 1.33885 1.93647 -42.26163 657.23102
5305.0000 -42.99756 -41.10789 1.88966 1.98668 -41.90414 673.93213
5310.0000 -43.08979 -41.67240 1.41738 2.05670 -41.40552 796.03276
5315.0000 -43.44713 -42.07339 1.37374 1.98044 -41.94855 676.77722
5320.0000 -43.10244 -41.80660 1.29584 1.99873 -41.81834 689.97836
5325.0000 -43.83214 -42.26900 1.56313 1.94823 -42.17786 657.21560
5330.0000 -43.60861 -41.61965 1.98897 1.95991 -42.09473 673.81712
5335.0000 -43.66909 -41.53550 2.13359 1.98566 -41.91135 688.50776
5340.0000 -43.04336 -41.14618 1.89717 2.08082 -41.23379 828.41831
5345.0000 -43.72861 -42.09742 1.63120 2.03229 -41.57937 731.13358
5350.0000 -44.30010 -42.41589 1.88421 1.92940 -42.31199 675.94367
5355.0000 -43.19567 -41.37385 1.82182 1.95113 -42.15722 670.60200
5360.0000 -43.60200 -42.53915 1.06285 2.00309 -41.78727 717.35059
5365.0000 -43.68637 -41.95016 1.73622 1.94075 -42.23117 643.64160
5370.0000 -44.43521 -43.20578 1.22943 1.88005 -42.66335 538.83998
5375.0000 -43.57118 -42.20417 1.36702 1.88822 -42.60520 585.70630
5380.0000 -44.22436 -42.73135 1.49301 1.93678 -42.25944 652.24852
5385.0000 -43.28243 -41.59775 1.68468 1.97250 -42.00507 661.07654
5390.0000 -42.66180 -40.64577 2.01603 2.05021 -41.45179 757.21563
5395.0000 -42.99606 -40.89450 2.10157 2.19278 -40.43662 858.93517
5400.0000 -42.17885 -40.67316 1.50569 2.13052 -40.87994 826.17156
5405.0000 -43.74514 -41.83842 1.90672 2.04559 -41.48467 755.13423
5410.0000 -43.02446 -41.38196 1.64250 2.04573 -41.48367 759.81577
5415.0000 -43.78880 -41.79728 1.99152 2.03654 -41.54908 749.20820
5420.0000 -43.67237 -41.83336 1.83901 2.02275 -41.64725 741.82071
5425.0000 -43.13676 -41.67354 1.46322 2.02119 -41.65840 769.35155
5430.0000 -43.61222 -41.61995 1.99227 2.01690 -41.68893 742.42967
5435.0000 -43.70386 -41.66120 2.04265 2.04232 -41.50790 728.45864
5440.0000 -43.66633 -42.31187 1.35446 1.98761 -41.89749 612.96969
5445.0000 -43.78577 -42.11524 1.67052 1.96693 -42.04471 675.99856
5450.0000 -42.79925 -41.24710 1.55215 1.99229 -41.86419 667.87829
5455.0000 -42.51634 -40.30872 2.20762 2.17871 -40.53677 929.64577
5460.0000 -42.27557 -40.16417 2.11140 2.19172 -40.44418 919.48999
5465.0000 -43.27916 -40.99084 2.28832 2.14435 -40.78145 809.38483
5470.0000 -43.12600 -41.05834 2.06767 2.12658 -40.90793 843.60228
5475.0000 -42.56643 -40.80143 1.76500 2.07932 -41.24450 767.01131
5480.0000 -42.59656 -40.21147 2.38509 2.24342 -40.07600 1001.78920
5485.0000 -43.23582 -41.17670 2.05912 2.13250 -40.86583 904.92171
5490.0000 -44.12541 -43.22460 0.90081 1.90532 -42.48342 620.76297
5495.0000 -43.82955 -42.30780 1.52174 1.82974 -43.02160 505.81785
5500.0000 -43.71934 -42.47615 1.24319 1.92434 -42.34799 606.04699
FREEZING PROCESS: loop number 23 T-loop= 698.00000000000000
main_MD> interactions number 23 at Temperature= 698.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79546 -1.56969 0.20748
force_rgl> df(natom) 1.63446 -1.27179 -0.74089
5505.0000 -43.31153 -41.77354 1.53799 1.97712 -41.97215 680.29080
5510.0000 -43.62803 -42.41448 1.21355 1.96692 -42.04483 666.01006
5515.0000 -43.54923 -42.04776 1.50147 1.95895 -42.10155 665.78016
5520.0000 -43.22459 -41.70872 1.51587 2.02514 -41.63024 722.83767
5525.0000 -43.19529 -41.65837 1.53692 2.04227 -41.50827 718.46889
5530.0000 -43.43196 -41.62659 1.80537 2.03408 -41.56660 716.98164
5535.0000 -43.32161 -41.15435 2.16726 2.07609 -41.26749 813.14042
5540.0000 -43.52591 -42.36553 1.16038 1.97860 -41.96165 676.78402
5545.0000 -44.02753 -42.44205 1.58548 1.88099 -42.65666 572.28740
5550.0000 -43.95556 -42.21590 1.73967 1.95650 -42.11898 643.83781
5555.0000 -43.75708 -42.01145 1.74563 1.97746 -41.96973 677.90657
5560.0000 -43.75228 -41.86453 1.88775 1.91512 -42.41363 620.47206
5565.0000 -43.19785 -41.52592 1.67192 2.01606 -41.69490 687.38166
5570.0000 -43.66108 -41.92824 1.73283 2.05883 -41.39035 751.65815
5575.0000 -43.69614 -41.81450 1.88164 1.97837 -41.96325 672.70025
5580.0000 -43.59310 -41.85426 1.73885 2.04099 -41.51741 768.70619
5585.0000 -43.00535 -41.31801 1.68734 2.00661 -41.76223 720.78385
5590.0000 -43.40501 -41.50848 1.89652 2.01723 -41.68662 743.12451
5595.0000 -43.90460 -42.43358 1.47103 1.94136 -42.22681 626.27534
5600.0000 -44.13316 -42.38698 1.74619 1.92157 -42.36771 607.00810
5605.0000 -43.76251 -41.90894 1.85357 1.95948 -42.09775 671.29421
5610.0000 -43.64698 -41.80452 1.84247 2.01619 -41.69397 725.43019
5615.0000 -44.40149 -43.09131 1.31018 1.92539 -42.34049 687.63095
5620.0000 -44.63212 -42.97358 1.65854 1.85034 -42.87493 561.75918
5625.0000 -43.50260 -41.16381 2.33879 1.96530 -42.05635 706.90942
5630.0000 -43.38278 -41.30583 2.07695 2.08160 -41.22821 815.29137
5635.0000 -43.38497 -41.69473 1.69025 2.03418 -41.56592 743.85180
5640.0000 -43.63155 -41.71864 1.91291 2.06049 -41.37855 754.98367
5645.0000 -43.19576 -41.66249 1.53327 1.98711 -41.90103 674.51132
5650.0000 -42.83374 -40.96198 1.87176 2.11044 -41.02292 821.03953
5655.0000 -43.81433 -42.09591 1.71843 2.02379 -41.63988 715.77755
5660.0000 -42.81305 -41.15505 1.65801 2.02995 -41.59604 704.70224
5665.0000 -44.09357 -41.67770 2.41587 2.03905 -41.53123 748.14146
5670.0000 -43.84444 -42.41517 1.42928 1.92267 -42.35990 628.64742
5675.0000 -43.04156 -41.07143 1.97013 1.98819 -41.89335 726.40498
5680.0000 -43.93427 -41.71202 2.22224 2.02581 -41.62549 749.14959
5685.0000 -42.76133 -41.00522 1.75611 2.07288 -41.29036 821.03989
5690.0000 -42.80167 -41.30168 1.49999 2.07219 -41.29525 806.99165
5695.0000 -43.10492 -42.12855 0.97638 1.95625 -42.12077 621.58110
5700.0000 -43.07177 -41.74958 1.32219 1.96887 -42.03090 666.25312
5705.0000 -43.19902 -40.70303 2.49599 2.06781 -41.32640 768.07315
5710.0000 -42.87433 -41.15943 1.71490 2.10980 -41.02741 787.51636
5715.0000 -43.53980 -42.30202 1.23778 2.04565 -41.48425 725.01096
5720.0000 -43.76901 -41.73791 2.03111 1.96304 -42.07242 636.87059
5725.0000 -43.16397 -41.65187 1.51210 2.01848 -41.67770 750.53424
5730.0000 -43.40536 -41.69042 1.71494 2.02671 -41.61907 742.09281
5735.0000 -43.39935 -41.59651 1.80284 2.01715 -41.68715 737.61737
5740.0000 -43.70781 -42.05418 1.65363 1.99135 -41.87087 716.56366
5745.0000 -44.23522 -42.21841 2.01682 1.96496 -42.05878 731.53997
5750.0000 -43.97933 -42.25129 1.72804 1.94425 -42.20620 663.94131
FREEZING PROCESS: loop number 24 T-loop= 673.00000000000000
main_MD> interactions number 24 at Temperature= 673.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08769 0.01186 0.88347
force_rgl> df(natom) -1.13035 -1.30263 -3.17009
5755.0000 -43.71586 -42.15150 1.56436 1.95413 -42.13591 642.15549
5760.0000 -43.92052 -42.28549 1.63503 1.93024 -42.30599 622.84891
5765.0000 -43.75910 -42.30227 1.45683 1.92325 -42.35574 605.79848
5770.0000 -43.17174 -41.59969 1.57204 1.95575 -42.12435 632.19327
5775.0000 -43.51343 -42.40226 1.11117 1.97486 -41.98829 640.81744
5780.0000 -43.74076 -42.22777 1.51299 1.92055 -42.37498 641.19386
5785.0000 -43.37781 -42.41808 0.95973 1.96423 -42.06399 652.75473
5790.0000 -44.08594 -42.18325 1.90268 1.91172 -42.43785 582.76211
5795.0000 -44.06466 -42.12743 1.93723 1.97185 -42.00971 689.33812
5800.0000 -43.54957 -42.43302 1.11655 1.95050 -42.16170 657.06556
5805.0000 -43.84153 -42.29878 1.54275 1.95610 -42.12185 658.21562
5810.0000 -42.53481 -41.40223 1.13257 1.99838 -41.82077 669.50606
5815.0000 -44.08160 -42.49715 1.58446 1.97407 -41.99387 677.29047
5820.0000 -43.32522 -41.49252 1.83270 1.97203 -42.00842 740.44217
5825.0000 -43.21198 -41.48962 1.72236 2.04913 -41.45945 752.88753
5830.0000 -42.48074 -40.41217 2.06857 2.12627 -40.91019 817.80197
5835.0000 -43.49029 -41.48010 2.01019 2.13346 -40.85897 859.60802
5840.0000 -43.88956 -41.72893 2.16063 1.99412 -41.85113 706.42595
5845.0000 -43.66960 -42.32502 1.34458 2.03383 -41.56839 730.29839
5850.0000 -43.34075 -42.18238 1.15837 1.93131 -42.29834 640.18871
5855.0000 -43.90114 -42.21677 1.68437 1.95211 -42.15026 690.65444
5860.0000 -43.76584 -42.29557 1.47028 1.98657 -41.90489 701.18620
5865.0000 -43.67314 -42.22239 1.45075 1.94964 -42.16784 663.88192
5870.0000 -43.72128 -42.43330 1.28798 1.95604 -42.12226 690.47268
5875.0000 -44.52021 -43.11295 1.40726 1.89049 -42.58899 651.45032
5880.0000 -44.30420 -42.83927 1.46493 1.88486 -42.62909 641.42562
5885.0000 -43.68858 -42.30340 1.38518 1.91896 -42.38629 618.53151
5890.0000 -43.52788 -42.29100 1.23688 1.89464 -42.55948 587.74269
5895.0000 -43.25946 -41.39771 1.86175 2.02716 -41.61586 685.45391
5900.0000 -43.11832 -41.37575 1.74257 2.09249 -41.15073 792.30285
5905.0000 -43.25119 -41.16543 2.08576 2.02934 -41.60036 711.49082
5910.0000 -43.31868 -41.49157 1.82711 2.09294 -41.14748 856.29677
5915.0000 -43.66584 -41.51929 2.14654 2.03568 -41.55519 762.72505
5920.0000 -43.76098 -42.24748 1.51350 1.97221 -42.00712 703.77353
5925.0000 -42.95376 -41.55713 1.39663 1.92902 -42.31465 639.26379
5930.0000 -44.03198 -42.23987 1.79211 2.02726 -41.61516 726.59819
5935.0000 -44.19108 -42.71620 1.47488 1.90186 -42.50807 602.63434
5940.0000 -43.52163 -42.30224 1.21939 1.90867 -42.45959 569.18566
5945.0000 -43.56732 -42.61590 0.95142 1.94544 -42.19776 592.64359
5950.0000 -43.76108 -42.10123 1.65985 1.93356 -42.28234 605.55236
5955.0000 -43.68545 -42.06642 1.61903 1.96294 -42.07311 651.69548
5960.0000 -43.84683 -42.36288 1.48395 1.90288 -42.50081 564.33658
5965.0000 -44.16905 -42.97662 1.19243 1.85905 -42.81287 520.82987
5970.0000 -43.75982 -42.24991 1.50991 1.88243 -42.64639 555.99088
5975.0000 -43.53696 -42.00709 1.52987 1.95583 -42.12377 662.74786
5980.0000 -44.26544 -42.48361 1.78183 1.95139 -42.15542 629.37147
5985.0000 -43.89102 -42.49424 1.39678 1.92204 -42.36437 616.73624
5990.0000 -43.92896 -42.30331 1.62565 1.90670 -42.47363 596.74154
5995.0000 -43.13568 -41.58775 1.54794 1.92281 -42.35890 624.51344
6000.0000 -43.41855 -41.17091 2.24764 2.05137 -41.44352 791.76710
FREEZING PROCESS: loop number 25 T-loop= 648.00000000000000
main_MD> interactions number 25 at Temperature= 648.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43760 -0.69932 -2.64326
force_rgl> df(natom) -1.36928 0.40535 0.65446
6005.0000 -43.08024 -41.09440 1.98584 2.08367 -41.21348 869.41720
6010.0000 -44.21023 -42.46131 1.74892 1.98309 -41.92968 695.91483
6015.0000 -43.96355 -41.61216 2.35139 1.97431 -41.99218 693.44648
6020.0000 -44.03077 -42.96831 1.06245 1.94029 -42.23443 650.88977
6025.0000 -43.95964 -42.04511 1.91452 1.92269 -42.35971 621.05846
6030.0000 -43.30623 -42.10533 1.20090 1.94854 -42.17567 628.98447
6035.0000 -43.84225 -42.28415 1.55809 1.96293 -42.07324 638.57377
6040.0000 -43.67015 -41.70467 1.96547 1.97830 -41.96378 693.42939
6045.0000 -43.76614 -41.86200 1.90415 1.99584 -41.83892 706.47513
6050.0000 -44.07712 -41.83895 2.23817 1.99119 -41.87201 673.27892
6055.0000 -44.14129 -42.68470 1.45659 1.92798 -42.32211 697.33673
6060.0000 -44.05056 -41.94151 2.10904 1.91747 -42.39694 668.88417
6065.0000 -44.29679 -42.81921 1.47758 1.91214 -42.43487 602.78282
6070.0000 -43.34311 -41.85863 1.48448 1.96743 -42.04116 700.90905
6075.0000 -43.47045 -41.83550 1.63495 1.98831 -41.89248 665.11886
6080.0000 -43.50256 -42.07648 1.42608 1.97791 -41.96657 673.11625
6085.0000 -44.12401 -42.48599 1.63802 2.00942 -41.74217 682.37449
6090.0000 -43.65808 -42.14637 1.51170 1.94207 -42.22178 650.36174
6095.0000 -43.60373 -41.68113 1.92260 2.02237 -41.65000 724.11447
6100.0000 -43.30531 -41.69527 1.61004 2.01037 -41.73546 688.32956
6105.0000 -43.83512 -41.71297 2.12215 2.00938 -41.74244 683.43065
6110.0000 -43.53479 -41.72550 1.80929 2.02128 -41.65775 709.06376
6115.0000 -44.21464 -42.74492 1.46972 1.93304 -42.28604 637.03208
6120.0000 -43.76652 -42.06398 1.70255 1.90941 -42.45430 596.13970
6125.0000 -43.73686 -42.05263 1.68423 2.00997 -41.73830 725.88869
6130.0000 -44.06575 -42.04821 2.01754 1.94570 -42.19587 667.12473
6135.0000 -43.24183 -41.49111 1.75073 1.93984 -42.23765 629.43540
6140.0000 -43.81683 -41.65796 2.15887 2.03173 -41.58332 772.16010
6145.0000 -43.33937 -41.49926 1.84011 2.00311 -41.78715 717.95214
6150.0000 -43.51589 -41.85182 1.66407 2.01677 -41.68984 700.33115
6155.0000 -43.83380 -42.67770 1.15609 1.89028 -42.59051 558.45351
6160.0000 -43.25776 -41.70280 1.55496 1.95380 -42.13823 647.19768
6165.0000 -43.51842 -41.95406 1.56437 1.98599 -41.90899 657.04675
6170.0000 -43.96937 -42.52313 1.44624 1.94946 -42.16915 641.58849
6175.0000 -44.61159 -43.16901 1.44258 1.86935 -42.73954 604.21776
6180.0000 -44.35645 -42.82561 1.53084 1.86685 -42.75736 619.09781
6185.0000 -44.38453 -42.97699 1.40754 1.82789 -43.03472 582.58199
6190.0000 -44.49648 -42.72061 1.77587 1.81076 -43.15675 557.22444
6195.0000 -44.47986 -43.07082 1.40904 1.87681 -42.68644 668.79017
6200.0000 -44.28299 -42.21360 2.06939 1.87755 -42.68113 650.23642
6205.0000 -43.89044 -41.96912 1.92132 1.92427 -42.34851 669.07854
6210.0000 -43.14752 -41.66616 1.48136 2.00065 -41.80462 756.59567
6215.0000 -43.80290 -41.73035 2.07256 1.99930 -41.81427 667.05198
6220.0000 -43.61612 -41.98558 1.63054 1.96244 -42.07668 650.12817
6225.0000 -43.36029 -41.18004 2.18025 2.02670 -41.61913 746.49257
6230.0000 -42.77968 -40.92929 1.85039 2.10629 -41.05246 799.90467
6235.0000 -43.31822 -41.69845 1.61977 2.11017 -41.02483 837.15298
6240.0000 -43.80029 -41.81103 1.98926 2.02289 -41.64629 717.95972
6245.0000 -43.49683 -41.89529 1.60154 2.02873 -41.60473 750.76350
6250.0000 -44.22634 -42.74406 1.48229 1.91952 -42.38232 614.99716
FREEZING PROCESS: loop number 26 T-loop= 623.00000000000000
main_MD> interactions number 26 at Temperature= 623.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88165 1.31007 -1.69040
force_rgl> df(natom) -2.75214 2.58795 0.72762
6255.0000 -43.70188 -42.04669 1.65519 1.90469 -42.48788 609.39771
6260.0000 -43.79416 -41.55243 2.24173 2.01409 -41.70897 746.51178
6265.0000 -43.87683 -42.42189 1.45494 1.98558 -41.91195 723.43263
6270.0000 -43.22512 -41.88712 1.33800 1.96995 -42.02320 640.19430
6275.0000 -42.79208 -40.90666 1.88542 1.99259 -41.86202 642.05656
6280.0000 -43.12044 -41.62082 1.49962 2.05862 -41.39190 744.95416
6285.0000 -43.62818 -42.20653 1.42165 1.95942 -42.09818 679.55327
6290.0000 -43.75327 -42.05244 1.70083 1.96005 -42.09372 659.16625
6295.0000 -43.58846 -41.94178 1.64668 2.00170 -41.79718 698.70738
6300.0000 -43.36919 -41.65966 1.70953 2.00075 -41.80389 721.98447
6305.0000 -43.75321 -42.21805 1.53516 1.93726 -42.25600 615.94927
6310.0000 -43.82799 -42.20187 1.62612 1.94028 -42.23452 655.62190
6315.0000 -44.02689 -42.63131 1.39558 1.90597 -42.47877 604.90441
6320.0000 -44.00647 -42.55181 1.45466 1.90764 -42.46687 604.54581
6325.0000 -44.26220 -42.12366 2.13855 1.92013 -42.37797 616.39087
6330.0000 -43.83585 -41.95684 1.87901 1.98199 -41.93752 717.28826
6335.0000 -44.03529 -42.31244 1.72285 1.93729 -42.25581 623.11285
6340.0000 -44.14866 -42.55818 1.59047 1.93142 -42.29758 618.02909
6345.0000 -44.05612 -42.70217 1.35395 1.91802 -42.39303 592.32624
6350.0000 -44.19486 -43.28174 0.91312 1.81172 -43.14991 457.56395
6355.0000 -44.43087 -42.91794 1.51293 1.82781 -43.03531 496.42579
6360.0000 -44.08752 -43.10376 0.98376 1.84616 -42.90465 530.28616
6365.0000 -43.85565 -42.89661 0.95904 1.84606 -42.90536 520.36878
6370.0000 -44.41071 -43.13205 1.27866 1.83372 -42.99321 498.88464
6375.0000 -44.31931 -42.60194 1.71737 1.87880 -42.67226 581.50716
6380.0000 -44.43907 -42.75488 1.68419 1.90015 -42.52020 551.07162
6385.0000 -44.38473 -42.44631 1.93842 1.88191 -42.65008 562.74947
6390.0000 -43.62513 -41.91562 1.70951 1.96078 -42.08851 658.00139
6395.0000 -43.91458 -42.68413 1.23045 1.98436 -41.92064 730.54210
6400.0000 -43.47723 -42.10818 1.36905 1.90867 -42.45955 537.97965
6405.0000 -44.32808 -42.92386 1.40423 1.90117 -42.51299 648.09927
6410.0000 -44.27172 -42.74376 1.52795 1.84744 -42.89558 583.60334
6415.0000 -44.69565 -42.95991 1.73574 1.83149 -43.00910 595.72502
6420.0000 -44.48515 -42.95470 1.53046 1.83384 -42.99241 588.27453
6425.0000 -44.41076 -42.94862 1.46214 1.90539 -42.48290 647.11147
6430.0000 -43.74086 -42.12142 1.61944 1.91215 -42.43481 574.82113
6435.0000 -43.61543 -42.09035 1.52508 1.94602 -42.19359 619.65564
6440.0000 -43.53160 -41.94841 1.58319 1.98980 -41.88186 643.49232
6445.0000 -43.31343 -41.96109 1.35234 1.99122 -41.87175 657.19097
6450.0000 -43.95038 -42.50170 1.44867 1.96402 -42.06546 634.88788
6455.0000 -44.21421 -42.43135 1.78286 1.90744 -42.46830 597.54112
6460.0000 -44.21585 -42.64840 1.56745 1.90374 -42.49470 598.90264
6465.0000 -43.91723 -42.56090 1.35633 1.91026 -42.44825 617.92219
6470.0000 -44.34382 -43.07732 1.26649 1.82651 -43.04459 483.05224
6475.0000 -43.83663 -42.84572 0.99090 1.86484 -42.77166 546.77428
6480.0000 -43.36841 -41.62574 1.74266 1.92804 -42.32165 576.12016
6485.0000 -43.48539 -41.88349 1.60190 1.99878 -41.81797 668.14540
6490.0000 -43.52667 -42.21322 1.31345 1.93611 -42.26418 625.87394
6495.0000 -43.34031 -42.15804 1.18227 1.93690 -42.25853 616.41023
6500.0000 -44.11319 -42.22749 1.88570 1.95829 -42.10625 658.27797
FREEZING PROCESS: loop number 27 T-loop= 598.00000000000000
main_MD> interactions number 27 at Temperature= 598.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13212 -0.45925 -3.77377
force_rgl> df(natom) 0.45274 -2.40130 3.07853
6505.0000 -43.83484 -41.54416 2.29068 1.95080 -42.15955 661.95090
6510.0000 -44.14434 -42.90236 1.24198 1.93189 -42.29425 629.70557
6515.0000 -44.54939 -43.04428 1.50511 1.83676 -42.97158 501.78623
6520.0000 -43.84746 -42.23537 1.61209 1.89108 -42.58483 589.65492
6525.0000 -44.07985 -42.82814 1.25171 1.89032 -42.59026 568.89261
6530.0000 -43.93383 -42.48401 1.44982 1.92264 -42.36008 626.28343
6535.0000 -43.96227 -42.41890 1.54337 1.91208 -42.43531 602.24716
6540.0000 -44.53512 -43.15031 1.38480 1.89551 -42.55329 689.21792
6545.0000 -44.53986 -42.98838 1.55148 1.81986 -43.09192 570.68878
6550.0000 -44.36665 -43.17628 1.19037 1.87407 -42.70596 637.23209
6555.0000 -44.62446 -43.38340 1.24106 1.82437 -43.05979 573.04446
6560.0000 -44.64958 -43.11557 1.53401 1.80496 -43.19806 537.25583
6565.0000 -44.74448 -43.08170 1.66278 1.82602 -43.04805 557.40454
6570.0000 -44.29278 -42.60089 1.69188 1.88926 -42.59775 644.99400
6575.0000 -44.84583 -43.72852 1.11731 1.85936 -42.81070 605.21447
6580.0000 -44.12656 -42.91832 1.20824 1.79063 -43.30009 515.85147
6585.0000 -44.14590 -43.18662 0.95928 1.78657 -43.32894 514.79684
6590.0000 -44.32373 -42.53785 1.78588 1.89217 -42.57705 581.97077
6595.0000 -43.93952 -42.88132 1.05820 1.85029 -42.87523 512.05559
6600.0000 -43.96210 -42.41730 1.54480 1.91016 -42.44899 600.19693
6605.0000 -44.20774 -43.15083 1.05692 1.88647 -42.61762 578.89724
6610.0000 -43.83026 -42.06445 1.76581 1.85594 -42.83500 537.55397
6615.0000 -43.33062 -41.46582 1.86480 2.00221 -41.79351 732.01549
6620.0000 -43.32822 -41.63716 1.69107 2.03065 -41.59099 736.81812
6625.0000 -43.78071 -42.19623 1.58448 1.98157 -41.94047 682.76729
6630.0000 -44.28641 -42.32258 1.96383 1.95950 -42.09761 667.92127
6635.0000 -43.81537 -42.07210 1.74327 1.92544 -42.34017 608.81720
6640.0000 -44.34549 -42.72105 1.62444 1.91278 -42.43030 618.94942
6645.0000 -44.27802 -43.00867 1.26935 1.86551 -42.76686 615.71114
6650.0000 -44.24003 -42.35999 1.88004 1.85584 -42.83576 607.62229
6655.0000 -45.14011 -43.77656 1.36355 1.84224 -42.93259 593.81025
6660.0000 -44.76491 -43.50662 1.25829 1.74526 -43.62308 456.02745
6665.0000 -44.32867 -43.18653 1.14214 1.80473 -43.19963 526.34465
6670.0000 -44.89344 -43.85145 1.04199 1.75090 -43.58296 471.39032
6675.0000 -44.60018 -42.79812 1.80206 1.77537 -43.40872 517.92829
6680.0000 -44.29265 -42.61459 1.67806 1.85564 -42.83714 624.28220
6685.0000 -43.98606 -42.60190 1.38416 1.93557 -42.26801 627.70327
6690.0000 -43.74440 -42.21574 1.52865 1.91693 -42.40078 628.28594
6695.0000 -44.19136 -42.64771 1.54365 1.92374 -42.35230 648.14568
6700.0000 -44.15277 -42.31786 1.83491 1.90546 -42.48243 562.34620
6705.0000 -43.90731 -42.27947 1.62784 1.91913 -42.38510 593.19824
6710.0000 -44.02338 -42.43200 1.59138 1.91439 -42.41883 607.16214
6715.0000 -43.58239 -41.78631 1.79607 1.93946 -42.24031 661.55768
6720.0000 -43.31113 -41.53985 1.77128 1.97538 -41.98458 690.73390
6725.0000 -44.09319 -42.31873 1.77446 2.00026 -41.80744 704.11982
6730.0000 -43.52954 -42.39255 1.13699 1.92579 -42.33770 618.44599
6735.0000 -44.10150 -42.44660 1.65490 1.88510 -42.62739 554.82430
6740.0000 -44.06208 -42.73932 1.32276 1.89184 -42.57940 586.35462
6745.0000 -44.01963 -42.67649 1.34313 1.86950 -42.73844 535.34428
6750.0000 -43.76057 -42.38645 1.37411 1.89551 -42.55327 558.17068
FREEZING PROCESS: loop number 28 T-loop= 573.00000000000000
main_MD> interactions number 28 at Temperature= 573.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.78138 -1.73260 2.04722
force_rgl> df(natom) -4.74300 2.44752 0.12795
6755.0000 -43.48080 -42.32698 1.15382 1.96237 -42.07718 645.34626
6760.0000 -43.47198 -42.10309 1.36889 1.93795 -42.25107 612.21851
6765.0000 -44.05990 -42.46225 1.59765 1.96747 -42.04090 650.44233
6770.0000 -44.54723 -42.86941 1.67782 1.88939 -42.59682 558.01058
6775.0000 -44.03661 -42.72593 1.31068 1.89090 -42.58609 579.38751
6780.0000 -44.28810 -42.59126 1.69684 1.88447 -42.63187 563.53437
6785.0000 -43.82402 -42.32771 1.49631 1.90918 -42.45592 617.79558
6790.0000 -44.12872 -42.48222 1.64650 1.89114 -42.58437 653.57051
6795.0000 -43.98748 -42.66747 1.32001 1.90068 -42.51645 585.17293
6800.0000 -43.75459 -42.25411 1.50048 1.87560 -42.69504 551.03091
6805.0000 -43.63592 -42.21301 1.42291 1.94446 -42.20473 616.15430
6810.0000 -43.39185 -42.16951 1.22234 1.92489 -42.34409 611.77393
6815.0000 -43.84641 -42.54186 1.30456 1.94549 -42.19742 661.59666
6820.0000 -43.91043 -42.51894 1.39150 1.91233 -42.43353 608.82738
6825.0000 -44.38044 -43.29113 1.08930 1.85479 -42.84321 538.24698
6830.0000 -43.89622 -42.27910 1.61712 1.87704 -42.68478 561.36020
6835.0000 -44.09465 -42.66748 1.42717 1.86094 -42.79942 543.89354
6840.0000 -43.87226 -42.51763 1.35462 1.89603 -42.54955 588.67753
6845.0000 -44.56768 -42.95455 1.61313 1.90930 -42.45507 618.09226
6850.0000 -44.60860 -43.05488 1.55372 1.82657 -43.04414 554.65232
6855.0000 -44.54277 -43.17521 1.36756 1.83542 -42.98112 571.79354
6860.0000 -44.36735 -42.79005 1.57730 1.79816 -43.24645 549.39395
6865.0000 -44.47542 -42.90891 1.56651 1.87204 -42.72039 651.42135
6870.0000 -44.26934 -43.13740 1.13194 1.82817 -43.03273 514.03784
6875.0000 -44.41306 -43.05114 1.36192 1.82493 -43.05581 503.66906
6880.0000 -44.44340 -43.11925 1.32415 1.81671 -43.11435 507.84980
6885.0000 -44.58990 -43.67921 0.91069 1.78234 -43.35905 447.45007
6890.0000 -43.78981 -42.56535 1.22445 1.80980 -43.16353 480.46986
6895.0000 -44.01763 -42.53794 1.47969 1.85899 -42.81329 527.92377
6900.0000 -44.21118 -42.47640 1.73478 1.87194 -42.72113 544.90320
6905.0000 -43.28390 -41.68625 1.59765 1.94616 -42.19265 630.19505
6910.0000 -43.17445 -41.52041 1.65404 2.02225 -41.65087 716.09817
6915.0000 -43.66268 -42.19823 1.46446 1.91968 -42.38114 586.00238
6920.0000 -43.31467 -41.95022 1.36445 1.94015 -42.23540 649.73138
6925.0000 -44.56430 -43.54767 1.01664 1.86848 -42.74573 542.21901
6930.0000 -44.31333 -43.04951 1.26383 1.81195 -43.14827 490.35075
6935.0000 -44.10066 -42.64591 1.45475 1.85224 -42.86139 563.84711
6940.0000 -43.72188 -42.84390 0.87798 1.89568 -42.55203 581.67410
6945.0000 -44.56002 -42.94939 1.61064 1.81749 -43.10880 472.93252
6950.0000 -43.60452 -42.24816 1.35636 1.88997 -42.59270 562.63825
6955.0000 -43.66126 -42.76862 0.89265 1.88647 -42.61764 597.14559
6960.0000 -44.27524 -42.90531 1.36992 1.83308 -42.99779 574.26536
6965.0000 -44.19278 -42.72710 1.46568 1.85537 -42.83910 546.85754
6970.0000 -44.08602 -42.27852 1.80750 1.91314 -42.42772 576.19591
6975.0000 -43.33298 -42.26283 1.07015 1.92428 -42.34844 589.75372
6980.0000 -43.36989 -41.67831 1.69158 1.98111 -41.94380 621.75443
6985.0000 -43.58884 -42.59740 0.99144 1.94661 -42.18945 621.29214
6990.0000 -43.41551 -42.19812 1.21739 1.87780 -42.67941 552.02557
6995.0000 -44.65358 -43.06887 1.58472 1.84868 -42.88670 515.56271
7000.0000 -44.12504 -43.27743 0.84760 1.82022 -43.08936 492.88811
FREEZING PROCESS: loop number 29 T-loop= 548.00000000000000
main_MD> interactions number 29 at Temperature= 548.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.03870 2.49307 3.40733
force_rgl> df(natom) 1.31978 -3.50359 3.10997
7005.0000 -44.63296 -43.52262 1.11033 1.77823 -43.38835 440.71764
7010.0000 -44.31302 -43.22705 1.08597 1.79116 -43.29631 473.41248
7015.0000 -44.04730 -42.61814 1.42916 1.85183 -42.86431 529.83061
7020.0000 -44.34298 -42.99017 1.35281 1.85725 -42.82566 528.10201
7025.0000 -44.09512 -42.71998 1.37514 1.85762 -42.82307 558.68097
7030.0000 -44.14006 -42.85464 1.28542 1.84958 -42.88030 523.68511
7035.0000 -43.87199 -42.35223 1.51976 1.87647 -42.68882 577.15945
7040.0000 -43.55111 -42.23594 1.31518 1.93412 -42.27836 646.79648
7045.0000 -44.17942 -42.74240 1.43702 1.94135 -42.22690 593.86911
7050.0000 -44.49093 -42.74269 1.74824 1.86247 -42.78854 523.01545
7055.0000 -44.35395 -43.30824 1.04571 1.82699 -43.04117 498.27625
7060.0000 -44.08236 -42.62662 1.45573 1.82084 -43.08498 490.35194
7065.0000 -44.00015 -42.37487 1.62528 1.88183 -42.65069 591.54944
7070.0000 -44.03962 -42.54154 1.49808 1.88879 -42.60114 562.98390
7075.0000 -44.19316 -42.93957 1.25359 1.83794 -42.96322 514.80465
7080.0000 -44.47739 -42.84512 1.63227 1.84504 -42.91266 531.68980
7085.0000 -44.51365 -43.15960 1.35405 1.79381 -43.27742 464.45320
7090.0000 -44.42535 -43.08878 1.33658 1.80847 -43.17302 477.06608
7095.0000 -43.95798 -42.12204 1.83594 1.87862 -42.67352 561.57520
7100.0000 -44.39774 -43.31012 1.08763 1.88622 -42.61944 641.90390
7105.0000 -44.75103 -43.47562 1.27541 1.77586 -43.40524 502.20782
7110.0000 -44.42886 -43.08292 1.34594 1.79358 -43.27905 477.55049
7115.0000 -44.16340 -42.73024 1.43316 1.78923 -43.31004 453.63891
7120.0000 -44.25433 -42.92153 1.33280 1.85520 -42.84026 568.98760
7125.0000 -44.42444 -42.92169 1.50276 1.81669 -43.11450 502.86468
7130.0000 -44.06017 -42.70882 1.35135 1.83188 -43.00637 523.44692
7135.0000 -44.19341 -42.94456 1.24885 1.84121 -42.93991 527.85013
7140.0000 -44.09315 -43.26676 0.82639 1.77690 -43.39781 417.42572
7145.0000 -44.33538 -43.03291 1.30247 1.82742 -43.03808 482.19175
7150.0000 -44.46396 -43.13939 1.32458 1.80445 -43.20162 478.47347
7155.0000 -44.43292 -43.05898 1.37393 1.85668 -42.82974 547.29990
7160.0000 -44.21112 -42.83851 1.37260 1.85709 -42.82683 529.87774
7165.0000 -44.32937 -43.08701 1.24237 1.83364 -42.99382 571.24095
7170.0000 -44.54106 -42.89453 1.64653 1.81677 -43.11395 552.60707
7175.0000 -44.77967 -43.28842 1.49126 1.83945 -42.95246 612.02694
7180.0000 -44.43786 -42.83947 1.59840 1.78453 -43.34347 518.37337
7185.0000 -44.65905 -43.33925 1.31980 1.79279 -43.28470 536.01679
7190.0000 -44.58384 -43.56219 1.02165 1.73813 -43.67389 459.57022
7195.0000 -44.34908 -42.90577 1.44331 1.80789 -43.17717 527.60276
7200.0000 -44.50549 -43.03423 1.47126 1.82414 -43.06147 565.82366
7205.0000 -44.44304 -43.30026 1.14278 1.80933 -43.16689 555.16653
7210.0000 -44.75171 -43.32444 1.42728 1.77392 -43.41902 497.89365
7215.0000 -44.70570 -43.75489 0.95081 1.79937 -43.23786 533.57315
7220.0000 -44.41087 -42.92772 1.48315 1.79593 -43.26230 521.76861
7225.0000 -44.34818 -42.66990 1.67828 1.82918 -43.02558 575.96436
7230.0000 -44.46888 -42.83809 1.63080 1.89804 -42.53529 687.74212
7235.0000 -44.21112 -43.13565 1.07547 1.82847 -43.03062 579.64821
7240.0000 -44.65236 -43.36136 1.29100 1.85848 -42.81695 612.15637
7245.0000 -44.60452 -43.42126 1.18326 1.76486 -43.48356 488.00148
7250.0000 -44.33073 -42.64365 1.68708 1.83311 -42.99755 591.03491
FREEZING PROCESS: loop number 30 T-loop= 523.00000000000000
main_MD> interactions number 30 at Temperature= 523.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07113 0.65700 2.66417
force_rgl> df(natom) -0.32452 1.42231 0.49168
7255.0000 -44.54910 -43.32108 1.22802 1.81497 -43.12671 552.15054
7260.0000 -44.47506 -43.32121 1.15385 1.80691 -43.18411 543.50297
7265.0000 -44.49957 -43.52093 0.97864 1.78012 -43.37487 504.53636
7270.0000 -44.69200 -43.32005 1.37195 1.80098 -43.22637 530.93755
7275.0000 -44.91634 -43.33356 1.58278 1.83095 -43.01300 584.04121
7280.0000 -44.64815 -42.93387 1.71427 1.83621 -42.97548 598.13685
7285.0000 -44.39923 -42.94435 1.45488 1.83891 -42.95630 598.36110
7290.0000 -44.62443 -43.39601 1.22842 1.77909 -43.38224 519.26149
7295.0000 -44.93572 -43.66315 1.27257 1.75398 -43.56104 474.41107
7300.0000 -44.12863 -43.16137 0.96727 1.78345 -43.35117 538.52703
7305.0000 -44.50479 -43.35098 1.15382 1.78908 -43.31111 526.82440
7310.0000 -44.35297 -42.99853 1.35444 1.77755 -43.39322 507.27983
7315.0000 -44.26582 -43.03817 1.22765 1.85100 -42.87023 602.90910
7320.0000 -44.76674 -43.22547 1.54127 1.82743 -43.03801 575.76035
7325.0000 -44.38452 -43.29764 1.08688 1.82687 -43.04200 557.73176
7330.0000 -44.61590 -43.13253 1.48338 1.84512 -42.91208 616.05555
7335.0000 -44.83207 -43.49073 1.34134 1.80758 -43.17939 543.61868
7340.0000 -44.84515 -43.66445 1.18070 1.73986 -43.66154 445.93961
7345.0000 -44.79989 -43.93108 0.86882 1.71101 -43.86695 419.44236
7350.0000 -44.56053 -43.16551 1.39502 1.77822 -43.38844 513.26746
7355.0000 -44.96631 -43.56104 1.40527 1.78932 -43.30938 534.11687
7360.0000 -44.34325 -43.07743 1.26582 1.74204 -43.64603 458.42939
7365.0000 -44.88431 -43.58573 1.29859 1.81669 -43.11452 565.65078
7370.0000 -44.92293 -43.94438 0.97854 1.70231 -43.92895 408.11008
7375.0000 -44.66138 -43.63905 1.02233 1.75117 -43.58103 468.54688
7380.0000 -45.06518 -43.31425 1.75093 1.74880 -43.59787 471.21209
7385.0000 -44.85091 -43.27948 1.57144 1.80082 -43.22750 550.97811
7390.0000 -44.60299 -43.23327 1.36972 1.79813 -43.24669 536.96556
7395.0000 -44.96155 -43.03873 1.92282 1.80658 -43.18648 542.29347
7400.0000 -44.49164 -43.27664 1.21500 1.80340 -43.20910 562.05947
7405.0000 -45.00524 -43.81742 1.18782 1.78183 -43.36270 541.82371
7410.0000 -44.45393 -43.31886 1.13507 1.73147 -43.72130 460.19601
7415.0000 -44.69448 -43.49349 1.20100 1.78041 -43.37281 501.47858
7420.0000 -44.62772 -43.21799 1.40973 1.78595 -43.33336 505.62814
7425.0000 -44.47049 -43.42201 1.04848 1.75415 -43.55981 467.85141
7430.0000 -44.73830 -43.29006 1.44824 1.81555 -43.12263 559.57628
7435.0000 -44.34093 -42.97504 1.36589 1.78373 -43.34917 509.00889
7440.0000 -44.98269 -43.70629 1.27639 1.74031 -43.65838 463.12236
7445.0000 -44.65470 -43.32270 1.33200 1.77550 -43.40778 512.33549
7450.0000 -44.75774 -43.62881 1.12894 1.76692 -43.46886 497.93042
7455.0000 -44.68056 -42.98017 1.70039 1.80038 -43.23065 522.34075
7460.0000 -44.45061 -42.83399 1.61662 1.80399 -43.20491 552.82348
7465.0000 -44.61673 -43.20637 1.41036 1.85583 -42.83577 639.10394
7470.0000 -44.44989 -43.23879 1.21110 1.81057 -43.15811 562.29698
7475.0000 -44.72764 -43.34408 1.38355 1.75986 -43.51915 481.82064
7480.0000 -44.91773 -43.62006 1.29767 1.78091 -43.36923 519.62516
7485.0000 -44.39353 -43.32604 1.06748 1.77237 -43.43008 481.74426
7490.0000 -44.14651 -42.85601 1.29050 1.81591 -43.12008 485.73158
7495.0000 -44.11621 -42.91197 1.20424 1.84820 -42.89016 550.38099
7500.0000 -44.26480 -42.86775 1.39705 1.84489 -42.91368 529.17176
FREEZING PROCESS: loop number 31 T-loop= 498.00000000000000
main_MD> interactions number 31 at Temperature= 498.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.78658 -0.37098 -0.84308
force_rgl> df(natom) -1.87045 0.88521 0.55532
7505.0000 -43.84759 -42.83573 1.01187 1.87767 -42.68029 557.89327
7510.0000 -43.93462 -42.51383 1.42078 1.88696 -42.61415 533.42640
7515.0000 -44.11396 -42.96847 1.14549 1.86803 -42.74890 529.61168
7520.0000 -44.42041 -43.15940 1.26100 1.83577 -42.97866 489.69622
7525.0000 -43.98300 -43.00137 0.98163 1.81862 -43.10079 484.89641
7530.0000 -44.12572 -42.64912 1.47660 1.84557 -42.90884 515.34907
7535.0000 -44.27373 -43.12130 1.15243 1.83781 -42.96411 502.40630
7540.0000 -44.09309 -42.87053 1.22257 1.85853 -42.81660 544.35507
7545.0000 -44.53277 -43.12875 1.40402 1.83754 -42.96601 496.13527
7550.0000 -44.39161 -42.89926 1.49235 1.85387 -42.84977 526.92062
7555.0000 -44.62256 -42.86589 1.75667 1.84755 -42.89473 522.17449
7560.0000 -44.41088 -43.20623 1.20465 1.85458 -42.84472 552.80777
7565.0000 -44.72724 -43.09759 1.62965 1.82021 -43.08940 512.60664
7570.0000 -44.42123 -42.93962 1.48161 1.83800 -42.96274 505.37576
7575.0000 -44.22070 -43.00598 1.21472 1.84293 -42.92768 529.06150
7580.0000 -44.14343 -42.94182 1.20161 1.86541 -42.76759 563.81715
7585.0000 -44.55560 -43.20568 1.34992 1.81313 -43.13987 493.73382
7590.0000 -44.74800 -43.47243 1.27557 1.79383 -43.27726 456.45806
7595.0000 -44.10635 -42.76525 1.34110 1.82341 -43.06667 503.65621
7600.0000 -44.63021 -43.39587 1.23434 1.82532 -43.05303 480.51668
7605.0000 -44.65462 -43.22917 1.42545 1.80298 -43.21210 477.92950
7610.0000 -44.32578 -43.18609 1.13969 1.81149 -43.15152 440.63922
7615.0000 -44.42354 -42.98862 1.43492 1.86988 -42.73575 533.30081
7620.0000 -43.78599 -42.75421 1.03178 1.86898 -42.74219 539.77256
7625.0000 -44.06516 -42.55790 1.50726 1.87148 -42.72437 545.90560
7630.0000 -44.43144 -43.25299 1.17845 1.79235 -43.28779 466.03317
7635.0000 -44.33257 -42.77636 1.55621 1.83611 -42.97624 499.25545
7640.0000 -43.57908 -42.48577 1.09331 1.86987 -42.73586 537.41443
7645.0000 -43.93087 -42.58475 1.34611 1.89891 -42.52905 591.85883
7650.0000 -44.25492 -42.70002 1.55491 1.82847 -43.03061 502.99437
7655.0000 -44.27067 -42.95169 1.31899 1.85065 -42.87269 526.93973
7660.0000 -44.56875 -43.64855 0.92021 1.80094 -43.22664 469.57649
7665.0000 -44.27176 -43.30092 0.97083 1.75889 -43.52604 407.44171
7670.0000 -44.38150 -42.94497 1.43653 1.81361 -43.13644 482.44313
7675.0000 -44.35911 -43.14780 1.21132 1.82660 -43.04396 493.50511
7680.0000 -44.20505 -43.21443 0.99061 1.81354 -43.13695 461.97507
7685.0000 -44.30972 -43.68917 0.62055 1.75561 -43.54941 390.16173
7690.0000 -44.43598 -42.50114 1.93484 1.83014 -43.01870 515.62800
7695.0000 -43.86050 -42.48176 1.37874 1.89351 -42.56752 569.96556
7700.0000 -44.02503 -43.15970 0.86533 1.89467 -42.55928 567.70121
7705.0000 -44.60123 -43.54056 1.06066 1.77840 -43.38717 443.96689
7710.0000 -44.63129 -43.48149 1.14980 1.77496 -43.41165 474.70844
7715.0000 -44.44889 -43.41202 1.03687 1.78564 -43.33558 447.40768
7720.0000 -44.01068 -42.76674 1.24394 1.82461 -43.05812 493.13184
7725.0000 -44.08881 -43.07125 1.01756 1.80220 -43.21767 454.14694
7730.0000 -43.74676 -42.50094 1.24582 1.89181 -42.57961 587.30967
7735.0000 -44.15231 -42.07046 2.08184 1.90380 -42.49425 608.24410
7740.0000 -43.90841 -42.58307 1.32534 1.93462 -42.27478 640.92213
7745.0000 -43.95119 -42.60603 1.34516 1.90463 -42.48834 566.94551
7750.0000 -43.97382 -42.50665 1.46718 1.86654 -42.75954 553.83476
FREEZING PROCESS: loop number 32 T-loop= 473.00000000000000
main_MD> interactions number 32 at Temperature= 473.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.05640 1.69887 1.36603
force_rgl> df(natom) -1.00410 -0.70508 1.20904
7755.0000 -44.55374 -43.16189 1.39184 1.85537 -42.83910 538.62973
7760.0000 -44.55137 -43.19743 1.35394 1.81437 -43.13104 479.52476
7765.0000 -44.14218 -42.86910 1.27308 1.83871 -42.95769 497.69156
7770.0000 -44.62431 -43.07566 1.54865 1.84477 -42.91458 550.12639
7775.0000 -44.36545 -42.79303 1.57242 1.84047 -42.94520 550.19230
7780.0000 -44.19685 -43.00669 1.19016 1.81788 -43.10601 477.79854
7785.0000 -43.82346 -42.63156 1.19191 1.83475 -42.98589 506.29906
7790.0000 -43.75339 -42.55698 1.19641 1.86860 -42.74485 583.48204
7795.0000 -44.81045 -43.49234 1.31811 1.81719 -43.11095 578.25125
7800.0000 -45.01125 -43.89531 1.11594 1.74348 -43.63577 456.20649
7805.0000 -44.65849 -43.62797 1.03053 1.73802 -43.67466 458.19933
7810.0000 -44.94498 -43.49500 1.44998 1.76521 -43.48106 509.29747
7815.0000 -44.65553 -43.63455 1.02099 1.76595 -43.47581 495.59360
7820.0000 -45.01924 -43.38407 1.63516 1.73874 -43.66955 446.62442
7825.0000 -44.55702 -43.43655 1.12047 1.74756 -43.60670 476.50925
7830.0000 -44.85236 -43.68803 1.16433 1.75209 -43.57445 462.10160
7835.0000 -44.91162 -43.86929 1.04233 1.73014 -43.73073 455.21536
7840.0000 -44.98339 -44.04988 0.93351 1.69982 -43.94663 406.30603
7845.0000 -44.73971 -43.53309 1.20661 1.76497 -43.48279 494.49712
7850.0000 -44.70815 -43.73729 0.97086 1.76894 -43.45447 497.43947
7855.0000 -44.69945 -43.52171 1.17774 1.74774 -43.60542 462.88895
7860.0000 -44.66640 -43.41782 1.24858 1.76093 -43.51155 487.99725
7865.0000 -44.88750 -43.87274 1.01476 1.75348 -43.56455 492.94754
7870.0000 -44.82246 -43.84865 0.97380 1.71684 -43.82548 430.30211
7875.0000 -44.40794 -43.37227 1.03567 1.74393 -43.63256 461.14746
7880.0000 -44.55525 -43.45062 1.10463 1.77895 -43.38324 500.78787
7885.0000 -44.80253 -43.42312 1.37941 1.78033 -43.37340 509.05984
7890.0000 -44.87851 -43.27922 1.59929 1.77065 -43.44229 510.17171
7895.0000 -44.30712 -43.01392 1.29319 1.84207 -42.93379 613.92132
7900.0000 -44.58139 -43.14984 1.43155 1.81557 -43.12246 558.12420
7905.0000 -44.59456 -43.42158 1.17298 1.77972 -43.37771 505.63236
7910.0000 -44.70501 -43.40553 1.29948 1.78010 -43.37501 508.53105
7915.0000 -45.09379 -43.75981 1.33398 1.73175 -43.71934 434.44526
7920.0000 -44.87731 -43.17419 1.70311 1.77095 -43.44017 496.50421
7925.0000 -44.65571 -43.51115 1.14456 1.76528 -43.48058 485.07541
7930.0000 -44.95728 -43.48058 1.47670 1.76991 -43.44756 488.03311
7935.0000 -45.09567 -43.52379 1.57188 1.79055 -43.30063 499.69346
7940.0000 -44.52828 -43.26197 1.26631 1.74567 -43.62016 472.17635
7945.0000 -44.86469 -43.69550 1.16919 1.76366 -43.49211 501.52798
7950.0000 -44.74049 -43.62838 1.11210 1.77318 -43.42434 511.71765
7955.0000 -44.88545 -43.59663 1.28882 1.71912 -43.80925 445.67665
7960.0000 -44.89050 -43.56300 1.32750 1.73737 -43.67925 455.20546
7965.0000 -44.56050 -43.48163 1.07887 1.78616 -43.33188 520.63811
7970.0000 -44.74027 -43.65907 1.08120 1.72555 -43.76342 435.74831
7975.0000 -44.67951 -43.14141 1.53811 1.75740 -43.53667 475.08157
7980.0000 -44.87668 -43.90955 0.96713 1.73535 -43.69364 458.38558
7985.0000 -44.91095 -43.92828 0.98267 1.74147 -43.65012 469.63045
7990.0000 -45.08894 -44.34605 0.74289 1.65799 -44.24449 351.43394
7995.0000 -44.51055 -43.60472 0.90583 1.72654 -43.75640 440.51704
8000.0000 -44.66585 -43.82360 0.84225 1.72295 -43.78200 437.52552
FREEZING PROCESS: loop number 33 T-loop= 448.00000000000000
main_MD> interactions number 33 at Temperature= 448.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65834 3.46449 0.16653
force_rgl> df(natom) 1.48564 -0.65834 1.80701
8005.0000 -44.71487 -43.37043 1.34445 1.74717 -43.60951 464.80980
8010.0000 -44.58023 -43.61794 0.96229 1.74670 -43.61288 458.24632
8015.0000 -44.80365 -43.33315 1.47050 1.78333 -43.35200 520.75530
8020.0000 -44.78690 -43.52759 1.25931 1.77891 -43.38348 511.28439
8025.0000 -44.83477 -43.68661 1.14816 1.73500 -43.69614 456.81599
8030.0000 -45.24331 -43.69397 1.54934 1.69827 -43.95770 414.05524
8035.0000 -44.28890 -43.07941 1.20949 1.79928 -43.23846 534.33658
8040.0000 -44.74468 -43.66586 1.07882 1.75838 -43.52967 478.15773
8045.0000 -45.09402 -43.92413 1.16989 1.69199 -44.00241 388.30257
8050.0000 -44.76905 -43.71077 1.05828 1.71170 -43.86205 422.72252
8055.0000 -44.48638 -43.59826 0.88812 1.76188 -43.50477 483.91876
8060.0000 -44.43148 -43.72766 0.70382 1.76490 -43.48327 499.98429
8065.0000 -45.01565 -44.02525 0.99040 1.68684 -44.03907 384.95806
8070.0000 -44.54706 -43.23258 1.31449 1.69641 -43.97093 398.54704
8075.0000 -45.01562 -43.56055 1.45507 1.76804 -43.46090 502.56217
8080.0000 -44.45393 -43.31052 1.14341 1.75352 -43.56431 465.30337
8085.0000 -45.00369 -44.04967 0.95401 1.73988 -43.66143 457.81637
8090.0000 -45.16845 -43.99129 1.17716 1.69063 -44.01206 388.67574
8095.0000 -44.94118 -44.19432 0.74687 1.67866 -44.09731 372.02511
8100.0000 -44.78276 -43.71621 1.06655 1.66858 -44.16907 365.90623
8105.0000 -45.07742 -43.95267 1.12475 1.69041 -44.01367 399.52123
8110.0000 -44.87993 -43.70738 1.17255 1.73496 -43.69642 449.50305
8115.0000 -44.92445 -43.75674 1.16771 1.72716 -43.75199 444.74258
8120.0000 -44.69707 -43.37721 1.31986 1.78359 -43.35022 530.06535
8125.0000 -44.98903 -43.50749 1.48155 1.79164 -43.29286 491.31454
8130.0000 -44.24797 -43.04984 1.19813 1.77966 -43.37814 509.29584
8135.0000 -44.63800 -43.32843 1.30957 1.81767 -43.10754 553.80172
8140.0000 -44.44194 -43.30996 1.13198 1.80434 -43.20247 467.05068
8145.0000 -44.46003 -43.45651 1.00352 1.76780 -43.46263 411.21234
8150.0000 -44.57724 -43.21365 1.36358 1.77847 -43.38667 433.18222
8155.0000 -44.57936 -43.23030 1.34906 1.81990 -43.09161 575.20839
8160.0000 -44.82106 -43.82858 0.99249 1.75304 -43.56773 483.28098
8165.0000 -44.97328 -44.41476 0.55852 1.66314 -44.20784 349.94384
8170.0000 -44.98191 -44.07494 0.90697 1.69116 -44.00830 395.21973
8175.0000 -44.88275 -43.48428 1.39847 1.73499 -43.69624 450.77907
8180.0000 -44.85769 -43.62039 1.23729 1.71424 -43.84399 418.89425
8185.0000 -44.61074 -43.63965 0.97109 1.71024 -43.87248 426.11193
8190.0000 -44.83792 -43.87773 0.96019 1.74092 -43.65402 458.76726
8195.0000 -44.59063 -43.76093 0.82969 1.77137 -43.43719 494.96444
8200.0000 -44.53779 -43.40387 1.13391 1.76812 -43.46034 489.02126
8205.0000 -45.00117 -43.45269 1.54848 1.78531 -43.33793 513.39631
8210.0000 -44.42726 -43.37354 1.05372 1.79187 -43.29121 504.34397
8215.0000 -44.81683 -43.45733 1.35950 1.75718 -43.53826 487.45285
8220.0000 -45.00149 -43.85737 1.14413 1.72509 -43.76672 441.61032
8225.0000 -45.00101 -43.85707 1.14394 1.69854 -43.95575 410.54099
8230.0000 -44.82893 -43.95799 0.87094 1.68775 -44.03262 385.28255
8235.0000 -44.55133 -43.78355 0.76778 1.74757 -43.60666 461.68580
8240.0000 -44.69363 -43.76603 0.92759 1.72642 -43.75724 455.85709
8245.0000 -44.96265 -44.06836 0.89429 1.69844 -43.95647 401.73004
8250.0000 -45.05449 -44.27142 0.78307 1.71540 -43.83574 429.81077
FREEZING PROCESS: loop number 34 T-loop= 423.00000000000000
main_MD> interactions number 34 at Temperature= 423.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07517 -0.75644 -0.36199
force_rgl> df(natom) -0.50494 1.71450 0.99959
8255.0000 -44.74907 -43.15286 1.59621 1.73394 -43.70368 453.03384
8260.0000 -44.93995 -43.35763 1.58232 1.78547 -43.33679 541.93996
8265.0000 -44.46288 -43.26093 1.20196 1.76651 -43.47182 504.63329
8270.0000 -44.69838 -43.50301 1.19537 1.76686 -43.46928 507.43280
8275.0000 -44.77790 -43.64471 1.13319 1.76487 -43.48345 490.86636
8280.0000 -44.71187 -43.79283 0.91904 1.73783 -43.67603 457.22767
8285.0000 -45.02167 -43.77364 1.24803 1.72026 -43.80112 436.28344
8290.0000 -44.96336 -43.97606 0.98730 1.69898 -43.95264 396.65049
8295.0000 -45.22116 -44.42008 0.80108 1.69695 -43.96707 395.34310
8300.0000 -44.40202 -43.50735 0.89467 1.70264 -43.92659 398.35287
8305.0000 -44.96950 -43.38412 1.58538 1.77674 -43.39897 517.63472
8310.0000 -44.83966 -43.59163 1.24802 1.74548 -43.62153 463.48802
8315.0000 -44.68986 -43.38088 1.30898 1.76299 -43.49690 481.82325
8320.0000 -44.75186 -43.69116 1.06071 1.73507 -43.69565 456.85393
8325.0000 -44.91770 -43.74896 1.16874 1.73065 -43.72712 445.82073
8330.0000 -44.73010 -43.73512 0.99498 1.69332 -43.99295 400.13014
8335.0000 -45.09865 -44.00986 1.08879 1.70607 -43.90218 424.51872
8340.0000 -45.18431 -44.07561 1.10870 1.67092 -44.15240 369.74115
8345.0000 -44.81171 -43.62335 1.18836 1.67601 -44.11623 384.55553
8350.0000 -44.34804 -43.15185 1.19619 1.78710 -43.32522 545.98967
8355.0000 -44.76162 -43.53659 1.22503 1.76221 -43.50242 480.60407
8360.0000 -44.85680 -43.77525 1.08154 1.71492 -43.83915 441.03043
8365.0000 -44.90878 -43.70296 1.20582 1.77000 -43.44698 506.94667
8370.0000 -44.82296 -43.74823 1.07473 1.74968 -43.59167 497.01958
8375.0000 -44.66384 -43.77437 0.88947 1.71199 -43.86000 417.62236
8380.0000 -44.93694 -44.00116 0.93578 1.67633 -44.11394 371.61028
8385.0000 -44.89958 -44.09217 0.80741 1.68788 -44.03169 392.02771
8390.0000 -44.48263 -43.79491 0.68772 1.67974 -44.08963 378.53498
8395.0000 -44.67452 -43.73776 0.93676 1.72890 -43.73963 441.43038
8400.0000 -44.83299 -44.05077 0.78222 1.68881 -44.02502 392.40981
8405.0000 -45.17971 -44.01847 1.16125 1.69825 -43.95787 432.29895
8410.0000 -44.43286 -43.63869 0.79417 1.68651 -44.04142 392.37139
8415.0000 -45.04437 -43.99108 1.05330 1.70589 -43.90341 407.07300
8420.0000 -44.84916 -43.99523 0.85392 1.69762 -43.96235 400.57621
8425.0000 -45.17782 -44.23015 0.94767 1.66881 -44.16743 378.13295
8430.0000 -45.01086 -44.04352 0.96735 1.67365 -44.13300 364.06890
8435.0000 -45.09216 -43.84819 1.24397 1.73160 -43.72036 440.13579
8440.0000 -44.56377 -43.34291 1.22085 1.70497 -43.91000 407.66748
8445.0000 -44.69193 -43.58878 1.10316 1.76011 -43.51741 476.83491
8450.0000 -44.90294 -43.68925 1.21370 1.75999 -43.51823 480.91403
8455.0000 -44.67312 -43.78517 0.88795 1.73021 -43.73026 462.07144
8460.0000 -45.01892 -44.16580 0.85312 1.69493 -43.98146 404.86307
8465.0000 -44.97652 -43.97662 0.99989 1.72085 -43.79693 446.32456
8470.0000 -44.59937 -43.70312 0.89625 1.73638 -43.68633 476.57386
8475.0000 -45.01598 -44.00177 1.01421 1.69716 -43.96561 397.54165
8480.0000 -45.16400 -44.25983 0.90416 1.68588 -44.04592 389.16742
8485.0000 -45.06070 -44.35073 0.70997 1.64289 -44.35203 323.40845
8490.0000 -45.22001 -44.16877 1.05124 1.64008 -44.37206 327.58990
8495.0000 -44.79035 -43.50414 1.28621 1.71643 -43.82837 448.29141
8500.0000 -44.97672 -43.89958 1.07714 1.71930 -43.80794 434.54749
FREEZING PROCESS: loop number 35 T-loop= 398.00000000000000
main_MD> interactions number 35 at Temperature= 398.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22723 -0.99538 -1.82294
force_rgl> df(natom) 0.19422 0.70710 0.13285
8505.0000 -44.84037 -43.98213 0.85824 1.69327 -43.99333 395.55919
8510.0000 -44.97757 -43.60176 1.37581 1.73533 -43.69382 452.40177
8515.0000 -44.80323 -44.13126 0.67197 1.68935 -44.02119 399.16536
8520.0000 -45.08116 -44.27458 0.80659 1.63987 -44.37352 315.00505
8525.0000 -45.11601 -44.48053 0.63547 1.66300 -44.20886 360.81463
8530.0000 -44.99223 -44.03114 0.96109 1.64679 -44.32426 330.14848
8535.0000 -45.23764 -44.21044 1.02720 1.67130 -44.14970 360.87981
8540.0000 -45.36503 -44.66988 0.69515 1.64062 -44.36820 322.43737
8545.0000 -45.05915 -44.04201 1.01715 1.64258 -44.35424 327.65865
8550.0000 -45.39805 -44.25677 1.14128 1.67532 -44.12107 382.66713
8555.0000 -44.95991 -44.19944 0.76047 1.67928 -44.09293 373.71886
8560.0000 -45.29545 -44.32131 0.97414 1.64833 -44.31326 342.44195
8565.0000 -44.68857 -43.77607 0.91251 1.66460 -44.19741 344.22926
8570.0000 -44.60373 -43.55577 1.04796 1.72584 -43.76138 434.12435
8575.0000 -44.88347 -44.19375 0.68972 1.70327 -43.92211 406.73461
8580.0000 -45.14250 -44.10735 1.03515 1.67956 -44.09088 384.49175
8585.0000 -45.27030 -44.29999 0.97031 1.66817 -44.17204 351.69536
8590.0000 -45.03724 -43.91067 1.12657 1.65143 -44.29123 334.61631
8595.0000 -44.90473 -44.01344 0.89129 1.69674 -43.96860 407.48237
8600.0000 -44.81408 -44.05943 0.75465 1.66767 -44.17559 369.91395
8605.0000 -44.87598 -43.87742 0.99856 1.68758 -44.03380 379.89757
8610.0000 -45.23453 -44.46158 0.77295 1.66071 -44.22513 351.83478
8615.0000 -44.93768 -43.97453 0.96314 1.64969 -44.30360 334.48209
8620.0000 -45.04515 -44.23637 0.80878 1.66200 -44.21597 352.88332
8625.0000 -44.77873 -44.08853 0.69019 1.65931 -44.23511 357.99940
8630.0000 -45.02036 -44.12726 0.89310 1.68450 -44.05573 384.01477
8635.0000 -45.18734 -44.05065 1.13669 1.67764 -44.10462 390.65080
8640.0000 -45.10518 -44.22557 0.87960 1.69195 -44.00272 385.09009
8645.0000 -44.92703 -43.89152 1.03550 1.70073 -43.94016 425.01590
8650.0000 -44.81780 -44.06710 0.75070 1.69999 -43.94544 413.21430
8655.0000 -45.05063 -44.03665 1.01398 1.69102 -44.00932 397.97769
8660.0000 -45.05536 -44.14655 0.90881 1.68247 -44.07021 382.69330
8665.0000 -44.93100 -44.15781 0.77318 1.67247 -44.14140 363.90838
8670.0000 -45.09456 -44.08776 1.00680 1.64886 -44.30954 340.95285
8675.0000 -45.05626 -44.09007 0.96619 1.68358 -44.06230 385.31827
8680.0000 -44.53404 -43.68699 0.84705 1.70373 -43.91881 422.14749
8685.0000 -44.95125 -43.65566 1.29559 1.74049 -43.65709 464.67134
8690.0000 -44.58752 -43.79976 0.78776 1.71777 -43.81888 419.15135
8695.0000 -45.22394 -43.97705 1.24689 1.71439 -43.84290 419.05598
8700.0000 -45.29496 -44.38745 0.90751 1.67263 -44.14026 367.31755
8705.0000 -44.69697 -43.52162 1.17534 1.70170 -43.93330 399.57780
8710.0000 -44.76562 -43.99235 0.77327 1.71844 -43.81407 422.39434
8715.0000 -44.70401 -43.87956 0.82444 1.69453 -43.98434 401.86521
8720.0000 -45.07142 -44.18927 0.88215 1.69140 -44.00662 393.65334
8725.0000 -44.88558 -43.84979 1.03579 1.69483 -43.98220 396.04147
8730.0000 -44.86051 -43.88096 0.97955 1.71843 -43.81418 428.36429
8735.0000 -44.87184 -43.79857 1.07327 1.72383 -43.77572 454.75176
8740.0000 -45.05764 -44.22578 0.83186 1.67465 -44.12587 371.77438
8745.0000 -44.92788 -43.98583 0.94205 1.69000 -44.01661 391.19761
8750.0000 -44.98806 -44.20370 0.78436 1.69117 -44.00826 397.92165
FREEZING PROCESS: loop number 36 T-loop= 373.00000000000000
main_MD> interactions number 36 at Temperature= 373.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44784 -1.45362 -0.79433
force_rgl> df(natom) 2.52344 1.89386 -1.56357
8755.0000 -45.22489 -44.54682 0.67808 1.63037 -44.44115 309.58139
8760.0000 -45.06351 -44.07737 0.98614 1.67498 -44.12351 366.62089
8765.0000 -44.83078 -44.08897 0.74181 1.65734 -44.24911 344.76276
8770.0000 -44.98364 -44.08232 0.90131 1.68277 -44.06803 390.54237
8775.0000 -45.19737 -44.23761 0.95976 1.67190 -44.14547 376.29254
8780.0000 -45.00797 -44.26922 0.73875 1.66118 -44.22176 351.80641
8785.0000 -44.99804 -44.29441 0.70363 1.65633 -44.25634 339.92533
8790.0000 -45.08475 -43.96205 1.12270 1.66304 -44.20853 367.28256
8795.0000 -44.63917 -43.65970 0.97947 1.71173 -43.86183 385.84281
8800.0000 -44.57631 -43.65405 0.92226 1.76738 -43.46563 417.44869
8805.0000 -44.60584 -43.77364 0.83220 1.74230 -43.64419 402.56248
8810.0000 -44.77271 -43.67961 1.09310 1.71707 -43.82383 357.15699
8815.0000 -44.90504 -44.08646 0.81858 1.74227 -43.64437 392.05209
8820.0000 -45.00094 -44.20061 0.80032 1.66002 -44.23006 294.49855
8825.0000 -44.92357 -44.15085 0.77272 1.67493 -44.12390 319.09761
8830.0000 -44.90140 -44.18341 0.71799 1.68286 -44.06743 335.40871
8835.0000 -44.78453 -43.64404 1.14049 1.69168 -44.00462 341.08976
8840.0000 -44.59301 -43.45963 1.13338 1.72484 -43.76850 352.35540
8845.0000 -44.68958 -43.53247 1.15711 1.75089 -43.58304 412.36765
8850.0000 -44.78147 -44.12995 0.65152 1.69030 -44.01444 311.67002
8855.0000 -44.92113 -43.96309 0.95804 1.67495 -44.12374 298.12669
8860.0000 -44.89370 -44.17811 0.71559 1.67837 -44.09936 307.19623
8865.0000 -44.82650 -44.20357 0.62293 1.66233 -44.21363 269.91806
8870.0000 -44.87690 -44.21687 0.66003 1.67332 -44.13533 280.98863
8875.0000 -45.06791 -44.25948 0.80843 1.67730 -44.10700 281.82608
8880.0000 -44.73350 -44.12078 0.61273 1.65725 -44.24975 266.31299
8885.0000 -44.29605 -43.62196 0.67410 1.70063 -43.94089 321.04146
8890.0000 -44.96020 -44.15274 0.80746 1.70435 -43.91441 334.29232
8895.0000 -44.48136 -43.82948 0.65188 1.69948 -43.94909 312.26668
8900.0000 -44.60825 -43.65580 0.95245 1.73027 -43.72982 371.41113
8905.0000 -44.69980 -44.03186 0.66794 1.70402 -43.91675 325.47183
8910.0000 -44.52384 -43.55574 0.96810 1.77315 -43.42451 417.34055
8915.0000 -44.41148 -43.30504 1.10644 1.79275 -43.28497 443.71935
8920.0000 -44.82134 -43.88158 0.93977 1.73640 -43.68618 360.88228
8925.0000 -44.68086 -43.93495 0.74591 1.70316 -43.92291 344.08907
8930.0000 -44.69997 -43.69235 1.00763 1.73261 -43.71318 388.47421
8935.0000 -45.10126 -44.37513 0.72613 1.72627 -43.75830 374.05423
8940.0000 -44.68480 -44.12442 0.56038 1.67296 -44.13794 286.39435
8945.0000 -44.75374 -44.02645 0.72729 1.68211 -44.07277 300.43554
8950.0000 -44.62803 -43.73562 0.89241 1.71868 -43.81234 364.24006
8955.0000 -44.84424 -43.74653 1.09771 1.72740 -43.75027 390.37731
8960.0000 -44.59535 -43.56204 1.03331 1.74808 -43.60303 408.39987
8965.0000 -44.49671 -43.21601 1.28070 1.77101 -43.43979 433.05408
8970.0000 -44.11284 -43.30755 0.80529 1.79455 -43.27212 442.14968
8975.0000 -44.48576 -43.43970 1.04606 1.75425 -43.55909 371.11683
8980.0000 -44.42062 -43.38549 1.03513 1.76417 -43.48846 397.20181
8985.0000 -44.47727 -43.44902 1.02825 1.76567 -43.47775 396.17765
8990.0000 -44.79033 -43.80666 0.98368 1.75669 -43.54172 449.75733
8995.0000 -44.98259 -44.17849 0.80410 1.68639 -44.04226 393.85586
9000.0000 -45.02513 -44.12475 0.90038 1.68968 -44.01888 386.41957
FREEZING PROCESS: loop number 37 T-loop= 348.00000000000000
main_MD> interactions number 37 at Temperature= 348.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09205 0.67154 -0.29152
force_rgl> df(natom) 2.49427 -0.01655 0.78674
9005.0000 -44.84442 -44.11268 0.73174 1.67520 -44.12195 359.35187
9010.0000 -45.23148 -44.34897 0.88252 1.68857 -44.02678 393.29396
9015.0000 -45.31209 -44.53914 0.77296 1.60537 -44.61919 275.32462
9020.0000 -45.23998 -44.37585 0.86413 1.63331 -44.42023 316.32103
9025.0000 -45.11047 -44.26453 0.84594 1.64479 -44.33848 342.45666
9030.0000 -45.26435 -44.38975 0.87460 1.66205 -44.21560 354.45775
9035.0000 -45.00158 -44.01754 0.98404 1.67014 -44.15801 368.44175
9040.0000 -44.91306 -43.92817 0.98489 1.70258 -43.92700 412.01925
9045.0000 -45.26875 -44.36550 0.90325 1.68303 -44.06617 394.92007
9050.0000 -45.15042 -44.27756 0.87286 1.65875 -44.23912 352.67665
9055.0000 -44.90056 -44.08456 0.81600 1.68785 -44.03186 376.53565
9060.0000 -45.16265 -44.50954 0.65311 1.66763 -44.17584 350.59302
9065.0000 -45.40513 -44.59774 0.80739 1.61361 -44.56049 290.27961
9070.0000 -45.05511 -44.25832 0.79679 1.64364 -44.34671 319.79796
9075.0000 -45.30813 -44.43609 0.87204 1.62822 -44.45649 316.92834
9080.0000 -45.19006 -44.23619 0.95387 1.63617 -44.39989 317.73898
9085.0000 -45.15251 -44.54874 0.60376 1.61714 -44.53535 287.48606
9090.0000 -45.15045 -44.19306 0.95739 1.63978 -44.37413 324.76257
9095.0000 -45.11759 -44.08694 1.03065 1.67067 -44.15419 370.99600
9100.0000 -45.23906 -44.39383 0.84523 1.65442 -44.26994 345.94456
9105.0000 -45.35154 -44.58349 0.76806 1.60395 -44.62927 268.97569
9110.0000 -45.02625 -44.15825 0.86800 1.64091 -44.36612 325.86544
9115.0000 -44.90709 -44.04095 0.86613 1.69733 -43.96438 402.20228
9120.0000 -44.86970 -44.04177 0.82793 1.69562 -43.97655 414.43929
9125.0000 -45.15197 -44.27133 0.88064 1.65682 -44.25281 356.85244
9130.0000 -44.99211 -44.08827 0.90383 1.65274 -44.28192 344.80685
9135.0000 -45.28998 -44.18970 1.10027 1.66924 -44.16439 358.67318
9140.0000 -44.68923 -43.94008 0.74915 1.68263 -44.06906 377.45327
9145.0000 -44.96285 -43.92060 1.04225 1.70975 -43.87594 419.17929
9150.0000 -45.21400 -44.42473 0.78927 1.68221 -44.07205 381.46336
9155.0000 -45.12277 -44.31367 0.80910 1.63653 -44.39728 311.92585
9160.0000 -45.32786 -44.47206 0.85580 1.62322 -44.49205 309.14343
9165.0000 -45.18433 -44.55392 0.63041 1.63889 -44.38053 334.35322
9170.0000 -44.98732 -44.30015 0.68717 1.65317 -44.27879 342.76682
9175.0000 -44.93652 -43.90884 1.02768 1.67820 -44.10061 382.92635
9180.0000 -44.88407 -44.09256 0.79151 1.69404 -43.98783 396.44678
9185.0000 -44.96708 -44.08718 0.87990 1.68467 -44.05455 378.77018
9190.0000 -44.79401 -43.83257 0.96143 1.70802 -43.88825 411.61703
9195.0000 -45.04857 -44.19838 0.85019 1.72587 -43.76115 426.24515
9200.0000 -45.37542 -44.37463 1.00079 1.66211 -44.21520 363.57180
9205.0000 -44.98937 -44.00637 0.98300 1.69030 -44.01444 395.93844
9210.0000 -44.88454 -44.06459 0.81996 1.68953 -44.01992 385.20373
9215.0000 -45.14031 -44.52088 0.61943 1.66012 -44.22931 353.83495
9220.0000 -45.25902 -44.35443 0.90459 1.65104 -44.29401 351.63329
9225.0000 -45.11138 -44.18825 0.92313 1.66275 -44.21059 391.21382
9230.0000 -44.72841 -43.88374 0.84467 1.67421 -44.12900 369.39270
9235.0000 -44.89118 -43.87416 1.01702 1.73002 -43.73163 442.70840
9240.0000 -45.00884 -44.20894 0.79990 1.65352 -44.27635 342.38453
9245.0000 -45.11734 -44.47384 0.64351 1.64814 -44.31463 340.57244
9250.0000 -44.96905 -44.43814 0.53091 1.62916 -44.44978 307.99523
FREEZING PROCESS: loop number 38 T-loop= 323.00000000000000
main_MD> interactions number 38 at Temperature= 323.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.75402 -1.15515 0.29232
force_rgl> df(natom) 0.46718 -0.23997 -1.38544
9255.0000 -44.89419 -44.20831 0.68588 1.65542 -44.26280 335.57509
9260.0000 -45.11764 -44.14365 0.97399 1.66414 -44.20071 361.14194
9265.0000 -45.22518 -44.35563 0.86955 1.68539 -44.04938 389.54404
9270.0000 -45.14772 -44.50270 0.64502 1.62317 -44.49245 299.80524
9275.0000 -45.30199 -44.35706 0.94493 1.64078 -44.36706 333.66869
9280.0000 -45.20882 -44.35406 0.85476 1.64318 -44.34998 323.24882
9285.0000 -45.00674 -44.32006 0.68669 1.63699 -44.39400 323.81372
9290.0000 -45.07511 -44.43153 0.64358 1.62452 -44.48284 298.77060
9295.0000 -45.20490 -44.62260 0.58230 1.61166 -44.57439 298.08668
9300.0000 -45.12276 -44.19052 0.93223 1.62198 -44.50088 301.65421
9305.0000 -45.08459 -44.40511 0.67947 1.64413 -44.34318 323.72832
9310.0000 -45.06134 -44.36519 0.69615 1.64106 -44.36502 327.54671
9315.0000 -45.26567 -44.50124 0.76443 1.62876 -44.45263 310.09608
9320.0000 -45.23374 -44.66253 0.57121 1.62250 -44.49719 307.23630
9325.0000 -45.16285 -44.45051 0.71234 1.60895 -44.59365 279.42422
9330.0000 -45.13043 -44.27960 0.85083 1.65039 -44.29862 335.39838
9335.0000 -45.26357 -44.36107 0.90250 1.65839 -44.24162 349.95959
9340.0000 -45.04900 -44.09335 0.95565 1.62259 -44.49654 294.31262
9345.0000 -45.12580 -44.43259 0.69321 1.64852 -44.31190 329.87356
9350.0000 -45.11482 -44.33869 0.77613 1.64520 -44.33560 342.44642
9355.0000 -45.39269 -44.45067 0.94203 1.63157 -44.43263 312.35557
9360.0000 -44.91543 -44.08410 0.83133 1.67213 -44.14382 364.45315
9365.0000 -44.97316 -44.06586 0.90730 1.67035 -44.15649 366.49357
9370.0000 -45.15189 -44.33640 0.81549 1.66524 -44.19285 360.75967
9375.0000 -45.00037 -44.44766 0.55271 1.62793 -44.45853 310.61955
9380.0000 -45.05349 -44.21958 0.83391 1.62850 -44.45449 314.02616
9385.0000 -45.23700 -44.42513 0.81187 1.63037 -44.44114 312.45661
9390.0000 -45.18963 -44.49542 0.69421 1.61553 -44.54680 289.45297
9395.0000 -45.27319 -44.49414 0.77906 1.61227 -44.57003 288.05534
9400.0000 -45.12300 -44.33010 0.79289 1.63474 -44.41005 316.00595
9405.0000 -45.04841 -44.37697 0.67144 1.63502 -44.40809 318.52972
9410.0000 -45.21671 -44.39994 0.81677 1.63863 -44.38236 317.96755
9415.0000 -45.36098 -44.67022 0.69076 1.62536 -44.47686 294.66790
9420.0000 -45.42772 -44.83113 0.59658 1.59661 -44.68158 258.23350
9425.0000 -45.28087 -44.65199 0.62889 1.59178 -44.71593 252.66329
9430.0000 -45.27808 -44.66146 0.61662 1.59592 -44.68648 262.08948
9435.0000 -45.13665 -44.54470 0.59195 1.59813 -44.67074 262.44974
9440.0000 -45.30119 -44.30362 0.99758 1.62833 -44.45572 313.02297
9445.0000 -45.30905 -44.33137 0.97768 1.65654 -44.25483 351.35476
9450.0000 -45.13104 -44.43279 0.69825 1.64062 -44.36820 325.88940
9455.0000 -45.40978 -44.32714 1.08264 1.64699 -44.32281 336.93174
9460.0000 -45.46506 -44.51563 0.94944 1.63822 -44.38529 316.29338
9465.0000 -45.44241 -44.63500 0.80741 1.60814 -44.59945 280.33571
9470.0000 -45.10128 -44.33983 0.76145 1.61170 -44.57412 284.11122
9475.0000 -45.10915 -44.51919 0.58996 1.65519 -44.26441 353.87175
9480.0000 -44.74955 -44.26116 0.48839 1.64280 -44.35269 325.95471
9485.0000 -45.07487 -44.15867 0.91620 1.67617 -44.11508 374.61390
9490.0000 -45.08460 -44.42036 0.66425 1.67700 -44.10913 388.91169
9495.0000 -45.14075 -44.25420 0.88655 1.63656 -44.39710 312.86890
9500.0000 -45.18822 -44.46642 0.72180 1.64483 -44.33823 340.43229
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 12.2380331 [s].
main_MD> Deallocating global variables
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