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nanoparticlesims/growth_Melting_Silver_ICO_3269/growthSims/run_47/growth.log

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main_MD> Reading input file
read_input> Process type: growth
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions from../seed.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 = 13 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1700
main_MD> Size of nv and nvoiz: 47 4700
main_MD> Size of nv and nvoiz: 47 4700
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 = 47
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> -0.15573804095531932 -0.11861029172022122 0.10413394119712759 initial drift of cluster / NP1 for coalescence
init> 0.42589538935758614 0.30869054305391036 0.22814913859333877 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8596158565290337E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00000 0.00000 0.00000
force_rgl> df(natom) 0.00000 4.66620 2.88387
preparo> THERMALIZATION PROCESS AT 298.54805860445117
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -29.627418638483363 0.59586851451890310 -30.223287153002264 3.8449282204692918E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for growth
main_MD> Now the computation of EXECUTION TIME starts
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.58077 1.83739 0.43721
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 14 0 -29.26772 0.76274 2.04671 -29.41108 436.10843
10.0000 14 0 -30.54237 1.10690 1.98461 -29.77183 825.52705
15.0000 14 0 -31.54205 0.65283 1.74518 -31.16262 532.58573
20.0000 14 0 -32.02268 0.47884 1.63139 -31.82360 331.55346
25.0000 14 0 -31.59366 0.77721 1.62907 -31.83708 329.64649
30.0000 14 0 -31.91555 0.55904 1.62412 -31.86584 344.36807
35.0000 14 0 -32.01377 0.53627 1.62726 -31.84762 357.61519
40.0000 14 0 -32.12366 0.35361 1.58612 -32.08659 278.70497
45.0000 14 0 -31.79811 0.58437 1.60410 -31.98211 307.03623
50.0000 14 0 -32.01608 0.31409 1.63147 -31.82314 355.81011
55.0000 14 0 -32.04524 0.54219 1.59476 -32.03639 294.09821
60.0000 14 0 -32.08015 0.36049 1.59753 -32.02027 265.17395
65.0000 14 0 -31.73792 0.49017 1.61725 -31.90572 292.31453
70.0000 14 0 -31.88414 0.65542 1.64482 -31.74561 347.06306
75.0000 14 0 -32.09646 0.42341 1.59671 -32.02506 265.85725
80.0000 14 0 -31.92317 0.39571 1.62021 -31.88857 301.24651
85.0000 14 0 -31.90165 0.44466 1.60399 -31.98279 274.11823
90.0000 14 0 -31.58709 0.68779 1.66843 -31.60843 395.26246
95.0000 14 0 -31.58038 0.59841 1.66214 -31.64501 381.89933
100.0000 14 0 -31.72824 0.57291 1.66305 -31.63970 384.53546
105.0000 14 0 -31.99695 0.40545 1.60791 -31.96001 311.26973
110.0000 14 0 -31.96779 0.39910 1.60976 -31.94925 316.04381
115.0000 14 0 -31.84482 0.72213 1.60509 -31.97637 316.19050
120.0000 14 0 -31.96705 0.56674 1.63709 -31.79052 353.37595
125.0000 14 0 -31.97233 0.58247 1.59751 -32.02042 304.79128
130.0000 14 0 -32.17823 0.37796 1.58986 -32.06486 293.05254
135.0000 14 0 -31.95084 0.53831 1.59114 -32.05739 275.24832
140.0000 14 0 -31.73282 0.49114 1.66528 -31.62676 398.52638
145.0000 14 0 -31.55159 0.52864 1.65770 -31.67078 372.15907
150.0000 14 0 -32.02656 0.36437 1.62935 -31.83543 328.75904
155.0000 14 0 -31.92585 0.51465 1.60960 -31.95018 299.46135
160.0000 14 0 -31.63028 0.64833 1.63189 -31.82071 324.58625
165.0000 14 0 -31.88277 0.68387 1.64876 -31.72270 369.43380
170.0000 14 0 -31.97698 0.57942 1.62269 -31.87412 326.74376
175.0000 14 0 -31.71140 0.66445 1.62527 -31.85915 341.05989
180.0000 14 0 -31.75857 0.62010 1.64578 -31.74001 366.03910
185.0000 14 0 -31.59492 0.65964 1.68744 -31.49804 421.80877
190.0000 14 0 -31.94361 0.48110 1.64621 -31.73752 381.77930
195.0000 14 0 -31.73123 0.66606 1.63683 -31.79199 374.33115
200.0000 14 0 -32.07892 0.64562 1.61729 -31.90549 349.07903
205.0000 14 0 -32.08968 0.51842 1.58093 -32.11672 256.55591
210.0000 14 0 -31.99949 0.52263 1.57652 -32.14230 248.86101
215.0000 14 0 -32.04537 0.38080 1.60356 -31.98527 279.54923
220.0000 14 0 -31.72949 0.52573 1.61462 -31.92104 299.89266
225.0000 14 0 -31.88880 0.45356 1.63237 -31.81793 323.37326
230.0000 14 0 -31.72781 0.70767 1.62697 -31.84929 312.81240
235.0000 14 0 -32.02292 0.41094 1.62394 -31.86691 332.23476
240.0000 14 0 -31.58252 0.70899 1.62723 -31.84774 312.77873
245.0000 14 0 -31.76692 0.68283 1.62086 -31.88477 327.02063
250.0000 14 0 -31.47538 0.87533 1.65083 -31.71070 376.42054
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67573 0.82735 -3.45084
force_rgl> df(natom) 0.00000 0.00000 0.00000
255.0000 15 0 -31.71096 0.72440 2.10097 -31.47148 435.88026
260.0000 15 0 -33.23558 1.19304 1.94638 -32.41171 690.32948
265.0000 15 0 -33.72009 0.78756 1.79061 -33.35914 585.76450
270.0000 15 0 -34.06578 0.67241 1.70023 -33.90888 431.06262
275.0000 15 0 -34.18462 0.74914 1.66235 -34.13923 391.19024
280.0000 15 0 -34.33213 0.80789 1.63851 -34.28423 341.81334
285.0000 15 0 -34.43344 0.51992 1.61459 -34.42976 303.81798
290.0000 15 0 -34.33429 0.57578 1.62661 -34.35661 339.43557
295.0000 15 0 -34.54294 0.55480 1.62225 -34.38315 315.11610
300.0000 15 0 -34.64424 0.38017 1.59086 -34.57406 258.62844
305.0000 15 0 -34.58787 0.41901 1.58364 -34.61797 248.29959
310.0000 15 0 -34.05425 0.72531 1.64357 -34.25346 362.78555
315.0000 15 0 -34.40091 0.77149 1.65577 -34.17926 380.66625
320.0000 15 0 -34.13055 0.65491 1.64467 -34.24676 369.48338
325.0000 15 0 -34.24394 0.77228 1.65968 -34.15548 376.60555
330.0000 15 0 -34.12480 0.52946 1.66745 -34.10820 390.02219
335.0000 15 0 -34.12379 0.72889 1.68559 -33.99789 414.59813
340.0000 15 0 -34.14635 0.64706 1.66952 -34.09567 405.90095
345.0000 15 0 -34.18603 0.63991 1.65207 -34.20179 383.43085
350.0000 15 0 -34.54396 0.44551 1.61414 -34.43245 314.12617
355.0000 15 0 -34.45694 0.60795 1.60287 -34.50099 289.41411
360.0000 15 0 -34.46552 0.44407 1.60766 -34.47191 304.07423
365.0000 15 0 -34.01239 0.82473 1.62500 -34.36644 329.17039
370.0000 15 0 -34.60091 0.46737 1.65597 -34.17806 401.02030
375.0000 15 0 -34.61943 0.44632 1.57584 -34.66541 260.22890
380.0000 15 0 -34.25803 0.69612 1.61080 -34.45281 301.44668
385.0000 15 0 -34.20189 0.65366 1.65448 -34.18709 362.77165
390.0000 15 0 -34.18694 0.67170 1.63950 -34.27821 358.72085
395.0000 15 0 -34.24392 0.84684 1.64193 -34.26345 347.16416
400.0000 15 0 -34.44018 0.62175 1.62604 -34.36008 324.03491
405.0000 15 0 -34.32172 0.71783 1.61852 -34.40581 306.37981
410.0000 15 0 -34.64138 0.42742 1.62312 -34.37785 313.45199
415.0000 15 0 -34.34289 0.61768 1.58820 -34.59025 262.49013
420.0000 15 0 -34.14395 0.79956 1.62671 -34.35599 316.93901
425.0000 15 0 -34.30291 0.49138 1.64044 -34.27254 343.03159
430.0000 15 0 -34.46344 0.39788 1.63279 -34.31906 340.95763
435.0000 15 0 -34.54322 0.53477 1.61964 -34.39901 323.33744
440.0000 15 0 -34.47579 0.67352 1.60938 -34.46145 311.12244
445.0000 15 0 -34.47241 0.64376 1.60581 -34.48314 305.79733
450.0000 15 0 -34.34838 0.82409 1.64240 -34.26058 359.75149
455.0000 15 0 -34.23021 0.78152 1.61679 -34.41637 320.06265
460.0000 15 0 -34.70724 0.39448 1.60883 -34.46480 296.31848
465.0000 15 0 -34.53134 0.45949 1.58188 -34.62871 267.07512
470.0000 15 0 -34.51755 0.56397 1.60189 -34.50699 286.03432
475.0000 15 0 -34.43657 0.69889 1.60855 -34.46650 298.05577
480.0000 15 0 -34.19167 0.82372 1.61094 -34.45191 299.60672
485.0000 15 0 -34.34386 0.46073 1.62929 -34.34035 335.56944
490.0000 15 0 -34.22415 0.70376 1.63333 -34.31578 349.08552
495.0000 15 0 -34.40132 0.61239 1.60097 -34.51259 282.90858
500.0000 15 0 -34.36315 0.54248 1.64131 -34.26724 366.61226
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.92467 0.96374 -2.16463
force_rgl> df(natom) 0.00000 0.00000 0.00000
505.0000 16 0 -34.16721 0.82773 2.03610 -34.27156 351.85369
510.0000 16 0 -35.66741 1.20319 1.96326 -34.73409 762.13332
515.0000 16 0 -36.08862 0.90373 1.75991 -36.02525 503.42787
520.0000 16 0 -36.29587 0.97819 1.70837 -36.35252 450.00931
525.0000 16 0 -36.64821 0.44388 1.68168 -36.52203 405.34059
530.0000 16 0 -36.87042 0.57864 1.64173 -36.77569 326.48784
535.0000 16 0 -36.86216 0.65814 1.63710 -36.80504 327.12636
540.0000 16 0 -36.73381 0.61537 1.63241 -36.83481 314.63269
545.0000 16 0 -36.64950 0.49497 1.64803 -36.73567 342.34528
550.0000 16 0 -36.92542 0.57003 1.64625 -36.74694 338.34644
555.0000 16 0 -37.00701 0.49957 1.60351 -37.01837 287.68306
560.0000 16 0 -36.76414 0.63550 1.62319 -36.89341 314.72675
565.0000 16 0 -36.96128 0.61332 1.63291 -36.83168 337.25993
570.0000 16 0 -36.83813 0.62875 1.62632 -36.87354 321.22171
575.0000 16 0 -36.60351 0.91408 1.64415 -36.76031 351.59425
580.0000 16 0 -36.78325 0.46044 1.64030 -36.78477 329.89865
585.0000 16 0 -36.90644 0.61919 1.64048 -36.78360 333.27948
590.0000 16 0 -36.96169 0.65760 1.62478 -36.88326 329.58729
595.0000 16 0 -36.88515 0.66800 1.62304 -36.89431 316.87962
600.0000 16 0 -36.93146 0.59981 1.60477 -37.01038 273.54794
605.0000 16 0 -36.81996 0.60820 1.60858 -36.98617 292.69172
610.0000 16 0 -36.75676 0.57631 1.63536 -36.81613 325.54853
615.0000 16 0 -37.04025 0.51033 1.62248 -36.89788 306.60245
620.0000 16 0 -36.92634 0.63841 1.60897 -36.98367 286.93739
625.0000 16 0 -36.74853 0.77428 1.64796 -36.73612 338.28020
630.0000 16 0 -36.66160 0.60065 1.66783 -36.60997 403.14972
635.0000 16 0 -36.70698 0.83342 1.67060 -36.59234 386.96279
640.0000 16 0 -36.70770 0.70866 1.65206 -36.71006 357.15093
645.0000 16 0 -36.97433 0.60817 1.63529 -36.81653 338.34023
650.0000 16 0 -36.71274 0.73877 1.62121 -36.90596 313.49857
655.0000 16 0 -36.65036 0.58141 1.64344 -36.76478 331.49716
660.0000 16 0 -36.90822 0.57592 1.64315 -36.76665 347.73458
665.0000 16 0 -36.68304 0.70308 1.63891 -36.79357 329.23304
670.0000 16 0 -36.87898 0.63955 1.64070 -36.78221 334.32695
675.0000 16 0 -36.55598 0.96849 1.63809 -36.79877 341.70897
680.0000 16 0 -36.95775 0.65744 1.63876 -36.79453 347.44043
685.0000 16 0 -36.98197 0.64076 1.58304 -37.14831 245.20019
690.0000 16 0 -36.93762 0.64247 1.58556 -37.13234 259.06262
695.0000 16 0 -36.69521 0.57139 1.62361 -36.89072 315.07397
700.0000 16 0 -36.82185 0.59649 1.65836 -36.67005 358.84631
705.0000 16 0 -36.92652 0.50621 1.62323 -36.89315 309.70595
710.0000 16 0 -37.04235 0.41950 1.59444 -37.07597 275.48961
715.0000 16 0 -36.93162 0.68196 1.59471 -37.07423 270.82937
720.0000 16 0 -36.83626 0.56767 1.62307 -36.89418 313.27807
725.0000 16 0 -37.05524 0.53303 1.62770 -36.86475 311.95078
730.0000 16 0 -37.06389 0.50762 1.59521 -37.07102 267.79959
735.0000 16 0 -37.02159 0.59953 1.60114 -37.03339 283.67288
740.0000 16 0 -36.90352 0.56709 1.60300 -37.02162 273.10491
745.0000 16 0 -36.77174 0.73980 1.61869 -36.92196 309.58129
750.0000 16 0 -36.67107 0.79507 1.64196 -36.77421 329.30400
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17552 -0.00529 1.26726
force_rgl> df(natom) 0.00000 0.00000 0.00000
755.0000 17 0 -36.60263 0.87840 2.06058 -36.52649 384.74137
760.0000 17 0 -38.14243 1.13421 1.92290 -37.43675 669.68723
765.0000 17 0 -38.97633 0.84888 1.74097 -38.63960 465.44319
770.0000 17 0 -39.27997 0.57572 1.64324 -39.28572 337.87968
775.0000 17 0 -39.43585 0.69481 1.64775 -39.25590 335.03125
780.0000 17 0 -39.32633 0.84811 1.63271 -39.35539 312.10137
785.0000 17 0 -39.20322 0.52340 1.65242 -39.22501 338.42165
790.0000 17 0 -39.28415 0.52325 1.62997 -39.37346 312.98900
795.0000 17 0 -39.54998 0.58845 1.63377 -39.34833 319.24942
800.0000 17 0 -39.45227 0.53700 1.61216 -39.49125 285.06886
805.0000 17 0 -39.71991 0.47886 1.60098 -39.56511 265.12562
810.0000 17 0 -39.24122 0.68515 1.62088 -39.43359 297.37774
815.0000 17 0 -39.32515 0.89235 1.64577 -39.26901 306.84341
820.0000 17 0 -39.40770 0.79084 1.62914 -39.37898 294.96302
825.0000 17 0 -39.37701 0.57599 1.62469 -39.40839 304.04710
830.0000 17 0 -39.39341 0.73733 1.62532 -39.40420 309.49860
835.0000 17 0 -39.37586 0.74572 1.62144 -39.42984 298.58288
840.0000 17 0 -39.23964 0.65660 1.62229 -39.42428 296.09490
845.0000 17 0 -39.07423 0.85544 1.63694 -39.32736 331.86879
850.0000 17 0 -39.30712 0.68686 1.64931 -39.24564 326.93412
855.0000 17 0 -39.22501 0.66804 1.66681 -39.12990 362.36321
860.0000 17 0 -39.20132 0.83836 1.66329 -39.15321 348.73576
865.0000 17 0 -39.12969 0.76972 1.65226 -39.22613 351.71719
870.0000 17 0 -39.20325 0.74373 1.65218 -39.22666 332.44886
875.0000 17 0 -39.39490 0.72713 1.66195 -39.16201 352.47806
880.0000 17 0 -39.60914 0.49388 1.61764 -39.45497 292.09442
885.0000 17 0 -39.61298 0.50080 1.61205 -39.49196 285.34308
890.0000 17 0 -39.54072 0.64059 1.58373 -39.67921 227.79591
895.0000 17 0 -39.54988 0.54263 1.61542 -39.46968 291.81420
900.0000 17 0 -39.30455 0.66090 1.62646 -39.39669 304.71688
905.0000 17 0 -39.16537 0.73388 1.65688 -39.19558 362.71449
910.0000 17 0 -39.35467 0.65213 1.65857 -39.18441 349.10017
915.0000 17 0 -39.43651 0.48687 1.61876 -39.44756 284.56473
920.0000 17 0 -39.25809 0.81323 1.63443 -39.34400 302.33122
925.0000 17 0 -39.40785 0.60887 1.61483 -39.47354 287.47154
930.0000 17 0 -39.39680 0.30628 1.61874 -39.44772 285.85020
935.0000 17 0 -39.29013 0.82944 1.65350 -39.21787 362.82955
940.0000 17 0 -39.56861 0.66065 1.62232 -39.42404 299.66475
945.0000 17 0 -39.56382 0.56852 1.61831 -39.45054 296.15806
950.0000 17 0 -39.18691 0.62612 1.62151 -39.42939 297.66822
955.0000 17 0 -39.58169 0.54107 1.61718 -39.45804 285.47756
960.0000 17 0 -39.40135 0.56461 1.60643 -39.52909 283.43390
965.0000 17 0 -39.53737 0.54904 1.61824 -39.45103 280.60698
970.0000 17 0 -39.45655 0.52356 1.61004 -39.50524 258.13621
975.0000 17 0 -39.35632 0.55814 1.65010 -39.24040 326.61547
980.0000 17 0 -39.04346 0.67753 1.66561 -39.13786 376.87673
985.0000 17 0 -39.00350 0.76442 1.68619 -39.00176 388.66503
990.0000 17 0 -38.91257 0.82409 1.66908 -39.11488 351.99987
995.0000 17 0 -39.10278 0.74862 1.68834 -38.98755 391.68363
1000.0000 17 0 -39.62083 0.42148 1.66226 -39.15996 352.04898
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57471 0.76321 -0.30050
force_rgl> df(natom) 0.00000 0.00000 0.00000
1005.0000 18 0 -39.18171 1.83081 2.00081 -39.35786 372.98020
1010.0000 18 0 -40.33337 1.14471 1.93732 -39.79393 701.46852
1015.0000 18 0 -41.01512 0.98372 1.81212 -40.65385 510.36288
1020.0000 18 0 -41.61432 0.81511 1.69577 -41.45298 373.62072
1025.0000 18 0 -41.68432 0.69299 1.64741 -41.78510 298.89357
1030.0000 18 0 -42.08294 0.64333 1.64307 -41.81493 312.68710
1035.0000 18 0 -41.78893 0.76531 1.62651 -41.92870 276.17253
1040.0000 18 0 -41.60281 1.00461 1.66073 -41.69361 323.05952
1045.0000 18 0 -41.27543 0.90535 1.69184 -41.47999 362.71157
1050.0000 18 0 -41.84094 0.36903 1.66421 -41.66971 325.43765
1055.0000 18 0 -41.95285 0.68590 1.65915 -41.70448 315.59950
1060.0000 18 0 -41.51642 0.87901 1.65394 -41.74029 338.04752
1065.0000 18 0 -41.84911 0.54826 1.65901 -41.70547 351.85344
1070.0000 18 0 -41.82185 0.65543 1.62483 -41.94021 279.77121
1075.0000 18 0 -41.77949 0.61630 1.64653 -41.79118 314.99703
1080.0000 18 0 -41.54446 1.03950 1.66261 -41.68075 306.56417
1085.0000 18 0 -41.88350 0.47859 1.66868 -41.63901 350.37755
1090.0000 18 0 -41.95593 0.51514 1.62969 -41.90685 272.31787
1095.0000 18 0 -41.68463 0.69393 1.64350 -41.81194 282.63185
1100.0000 18 0 -41.57873 0.65187 1.67540 -41.59287 314.07303
1105.0000 18 0 -41.45022 0.58341 1.69922 -41.42925 369.00965
1110.0000 18 0 -41.46864 0.69239 1.68839 -41.50364 356.26626
1115.0000 18 0 -41.76590 0.83058 1.65565 -41.72850 337.06413
1120.0000 18 0 -41.74970 0.72318 1.63743 -41.85366 300.27594
1125.0000 18 0 -41.89692 0.77559 1.63127 -41.89598 299.74973
1130.0000 18 0 -41.84571 0.61099 1.63912 -41.84206 308.14194
1135.0000 18 0 -41.95442 0.52446 1.62759 -41.92126 305.85295
1140.0000 18 0 -41.77137 0.69266 1.62445 -41.94284 285.60052
1145.0000 18 0 -41.77421 0.72781 1.64358 -41.81142 321.83589
1150.0000 18 0 -41.88927 0.72121 1.63621 -41.86207 308.53835
1155.0000 18 0 -41.92726 0.69211 1.62128 -41.96461 266.69073
1160.0000 18 0 -41.84742 0.71616 1.64153 -41.82551 309.94723
1165.0000 18 0 -42.02075 0.51023 1.61760 -41.98985 272.07731
1170.0000 18 0 -41.79672 0.74836 1.63654 -41.85975 291.37112
1175.0000 18 0 -42.04785 0.54999 1.66884 -41.63793 333.54245
1180.0000 18 0 -41.86736 0.77614 1.61809 -41.98653 271.19841
1185.0000 18 0 -42.15358 0.47330 1.59974 -42.11251 242.84233
1190.0000 18 0 -42.02512 0.64170 1.61873 -41.98209 271.78600
1195.0000 18 0 -41.89535 0.48734 1.62512 -41.93820 300.25458
1200.0000 18 0 -41.90494 0.71269 1.63388 -41.87804 326.10765
1205.0000 18 0 -41.95918 0.58220 1.60909 -42.04832 259.02147
1210.0000 18 0 -41.80957 0.65361 1.62724 -41.92367 298.43614
1215.0000 18 0 -41.85507 0.70108 1.62225 -41.95790 280.83172
1220.0000 18 0 -41.68224 0.82221 1.63231 -41.88882 303.09628
1225.0000 18 0 -41.75658 0.65857 1.63923 -41.84128 313.18882
1230.0000 18 0 -41.86724 0.82037 1.63133 -41.89557 300.14528
1235.0000 18 0 -41.67755 0.94966 1.66528 -41.66240 343.22475
1240.0000 18 0 -41.83220 0.70858 1.66161 -41.68762 340.79869
1245.0000 18 0 -41.75159 0.76216 1.64204 -41.82200 305.43490
1250.0000 18 0 -41.90209 0.57123 1.64318 -41.81420 305.78737
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63650 -0.29868 0.04564
force_rgl> df(natom) 0.00000 0.00000 0.00000
1255.0000 19 0 -41.84162 1.02552 2.00344 -41.78475 306.66042
1260.0000 19 0 -43.16384 1.58337 1.88356 -42.63834 576.29455
1265.0000 19 0 -43.66314 1.13329 1.77425 -43.41665 461.24483
1270.0000 19 0 -44.35897 0.74862 1.68662 -44.04064 334.45368
1275.0000 19 0 -44.20510 0.73468 1.65981 -44.23152 301.26166
1280.0000 19 0 -44.15408 0.56610 1.65791 -44.24507 283.26072
1285.0000 19 0 -44.11433 0.67837 1.68577 -44.04670 319.75413
1290.0000 19 0 -43.92949 0.88462 1.67307 -44.13710 308.11016
1295.0000 19 0 -44.30552 0.57940 1.64608 -44.32933 258.92705
1300.0000 19 0 -44.08008 0.71580 1.66401 -44.20161 300.00048
1305.0000 19 0 -44.31667 0.66362 1.65146 -44.29101 268.40232
1310.0000 19 0 -44.08624 0.67808 1.66170 -44.21810 274.03059
1315.0000 19 0 -43.70197 0.72064 1.70621 -43.90118 349.14334
1320.0000 19 0 -43.89480 0.96574 1.71429 -43.84362 372.19179
1325.0000 19 0 -44.21431 0.56057 1.67874 -44.09679 316.84261
1330.0000 19 0 -44.15141 0.75548 1.65878 -44.23889 291.35563
1335.0000 19 0 -43.97121 0.86455 1.68741 -44.03501 333.39105
1340.0000 19 0 -44.19596 0.48565 1.66688 -44.18117 285.14381
1345.0000 19 0 -44.18739 0.59931 1.66413 -44.20075 285.73703
1350.0000 19 0 -44.06031 0.91476 1.68081 -44.08200 320.56325
1355.0000 19 0 -44.12950 0.56753 1.66454 -44.19789 295.11418
1360.0000 19 0 -44.28569 0.67289 1.66642 -44.18446 295.75652
1365.0000 19 0 -44.12856 0.60125 1.67138 -44.14917 308.52145
1370.0000 19 0 -43.99143 0.70546 1.68648 -44.04163 329.65576
1375.0000 19 0 -44.28253 0.74642 1.68370 -44.06144 310.35412
1380.0000 19 0 -43.98031 0.83386 1.66490 -44.19532 306.72824
1385.0000 19 0 -44.34064 0.58595 1.66502 -44.19447 301.79206
1390.0000 19 0 -44.32901 0.55965 1.65954 -44.23348 306.10183
1395.0000 19 0 -44.37344 0.65970 1.64011 -44.37181 283.53486
1400.0000 19 0 -44.19394 0.84756 1.66127 -44.22113 302.68256
1405.0000 19 0 -44.01293 1.09742 1.67878 -44.09650 329.59477
1410.0000 19 0 -44.28396 0.63555 1.66195 -44.21627 304.24146
1415.0000 19 0 -44.22814 0.83163 1.65166 -44.28958 311.22874
1420.0000 19 0 -44.52598 0.66819 1.64711 -44.32201 298.16119
1425.0000 19 0 -44.37861 0.77652 1.64060 -44.36833 290.33561
1430.0000 19 0 -44.54615 0.49849 1.63046 -44.44049 274.32622
1435.0000 19 0 -44.43566 0.63111 1.63103 -44.43645 269.63768
1440.0000 19 0 -43.82789 0.77474 1.66824 -44.17154 338.02069
1445.0000 19 0 -44.27380 0.60456 1.68705 -44.03759 359.79002
1450.0000 19 0 -44.01379 0.76915 1.67457 -44.12646 331.39221
1455.0000 19 0 -44.23707 0.92247 1.66392 -44.20226 323.59130
1460.0000 19 0 -43.59619 1.06131 1.69005 -44.01622 357.65924
1465.0000 19 0 -43.96771 0.78685 1.71923 -43.80843 397.74404
1470.0000 19 0 -43.91641 0.77925 1.69211 -44.00152 342.71311
1475.0000 19 0 -44.37624 0.59824 1.66042 -44.22719 304.80943
1480.0000 19 0 -44.44640 0.64247 1.63293 -44.42292 256.78766
1485.0000 19 0 -44.36300 0.57957 1.65787 -44.24535 312.35825
1490.0000 19 0 -44.24726 0.64719 1.65185 -44.28823 288.17096
1495.0000 19 0 -43.86240 1.00580 1.66239 -44.21321 305.88477
1500.0000 19 0 -43.86702 0.84078 1.73329 -43.70835 416.72491
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.08269 -3.83772 1.18693
force_rgl> df(natom) 0.00000 0.00000 0.00000
1505.0000 20 0 -44.11992 1.52250 2.05079 -43.88967 396.46140
1510.0000 20 0 -45.26480 1.28664 1.91457 -44.89332 613.37033
1515.0000 20 0 -46.32065 0.48238 1.80529 -45.69852 452.14445
1520.0000 20 0 -46.57062 0.73042 1.70693 -46.42323 354.25106
1525.0000 20 0 -46.49147 0.88538 1.68653 -46.57357 364.20485
1530.0000 20 0 -46.85584 0.60433 1.67142 -46.68491 335.59527
1535.0000 20 0 -46.67647 0.77712 1.65580 -46.79998 342.00175
1540.0000 20 0 -46.76011 0.74876 1.64683 -46.86607 317.54675
1545.0000 20 0 -47.03114 0.63221 1.64807 -46.85694 320.46162
1550.0000 20 0 -46.85567 0.79286 1.63103 -46.98244 283.10572
1555.0000 20 0 -46.94730 0.71281 1.65447 -46.80973 319.51123
1560.0000 20 0 -46.70567 0.83931 1.65501 -46.80580 339.69805
1565.0000 20 0 -46.72382 0.77784 1.65115 -46.83419 323.92184
1570.0000 20 0 -46.37328 1.13914 1.68545 -46.58151 386.06310
1575.0000 20 0 -46.68695 0.89032 1.68208 -46.60636 384.23913
1580.0000 20 0 -46.64030 0.86917 1.66633 -46.72240 345.96458
1585.0000 20 0 -46.71275 0.85401 1.67347 -46.66976 362.64346
1590.0000 20 0 -46.66308 0.68136 1.65995 -46.76940 345.01819
1595.0000 20 0 -46.75236 0.89325 1.66849 -46.70645 344.86813
1600.0000 20 0 -46.95111 0.71589 1.62760 -47.00774 284.97209
1605.0000 20 0 -47.00090 0.73689 1.62933 -46.99496 292.98121
1610.0000 20 0 -46.95531 0.69346 1.63122 -46.98105 288.66540
1615.0000 20 0 -46.80478 0.53150 1.65287 -46.82158 316.16014
1620.0000 20 0 -46.80785 0.75679 1.65503 -46.80562 315.17912
1625.0000 20 0 -46.75725 0.94369 1.65675 -46.79297 328.56251
1630.0000 20 0 -46.90973 0.77122 1.65591 -46.79914 334.09521
1635.0000 20 0 -46.96932 0.65900 1.63462 -46.95601 303.84661
1640.0000 20 0 -47.20439 0.77450 1.60743 -47.15635 258.67156
1645.0000 20 0 -46.93580 0.64490 1.62327 -47.03964 276.92873
1650.0000 20 0 -46.95587 0.78908 1.66385 -46.74067 336.19663
1655.0000 20 0 -47.25847 0.49432 1.62423 -47.03257 292.92128
1660.0000 20 0 -46.72317 0.75423 1.62735 -47.00959 300.68173
1665.0000 20 0 -46.87715 0.74421 1.65079 -46.83689 325.28404
1670.0000 20 0 -47.09383 0.56319 1.62803 -47.00460 311.76160
1675.0000 20 0 -47.05656 0.78290 1.61925 -47.06924 282.10242
1680.0000 20 0 -47.21419 0.59635 1.60734 -47.15701 254.04802
1685.0000 20 0 -46.91507 1.14143 1.64456 -46.88275 316.67527
1690.0000 20 0 -46.69884 0.93114 1.66882 -46.70403 339.60604
1695.0000 20 0 -46.82391 0.65253 1.66182 -46.75559 333.03681
1700.0000 20 0 -46.89853 0.85699 1.64994 -46.84317 317.37567
1705.0000 20 0 -46.65322 0.99297 1.66474 -46.73407 336.32875
1710.0000 20 0 -46.66832 0.96303 1.68057 -46.61747 364.60145
1715.0000 20 0 -46.85210 0.73897 1.66986 -46.69638 346.31925
1720.0000 20 0 -47.14457 0.64243 1.63430 -46.95838 286.54494
1725.0000 20 0 -46.87474 0.79191 1.60158 -47.19945 244.89011
1730.0000 20 0 -46.65854 0.90963 1.64927 -46.84811 310.78073
1735.0000 20 0 -46.82589 0.95441 1.64771 -46.85959 310.29297
1740.0000 20 0 -46.87757 0.77913 1.64897 -46.85032 302.79225
1745.0000 20 0 -47.15840 0.47409 1.63605 -46.94547 290.96509
1750.0000 20 0 -47.18332 0.55336 1.60932 -47.14241 249.31642
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84087 -0.76657 0.22277
force_rgl> df(natom) 0.00000 0.00000 0.00000
1755.0000 21 0 -46.78179 1.21912 1.96050 -47.02734 274.09969
1760.0000 21 0 -48.26201 0.91148 1.88830 -47.57691 547.75250
1765.0000 21 0 -48.71429 1.07679 1.74928 -48.63507 374.78069
1770.0000 21 0 -49.05491 0.71444 1.73398 -48.75153 365.83855
1775.0000 21 0 -49.04680 0.97447 1.67931 -49.16767 324.45509
1780.0000 21 0 -49.54583 0.56304 1.66865 -49.24882 331.87599
1785.0000 21 0 -49.64544 0.70285 1.61683 -49.64322 253.60961
1790.0000 21 0 -49.75980 0.72466 1.60521 -49.73171 243.73351
1795.0000 21 0 -49.52719 0.79896 1.61272 -49.67454 257.74272
1800.0000 21 0 -49.44929 0.81267 1.63908 -49.47386 298.77338
1805.0000 21 0 -49.48456 0.71297 1.64089 -49.46011 290.92651
1810.0000 21 0 -49.65941 0.68710 1.62662 -49.56873 269.36994
1815.0000 21 0 -49.64580 0.67841 1.61209 -49.67933 259.23432
1820.0000 21 0 -49.45680 0.85060 1.62576 -49.57530 275.08140
1825.0000 21 0 -49.49016 0.69102 1.64178 -49.45336 290.13572
1830.0000 21 0 -49.33115 0.60998 1.66788 -49.25464 327.83528
1835.0000 21 0 -49.43115 0.78551 1.64298 -49.44421 299.32191
1840.0000 21 0 -49.45256 0.92044 1.63891 -49.47517 292.05827
1845.0000 21 0 -49.64860 0.76072 1.62514 -49.57995 276.00801
1850.0000 21 0 -49.16594 0.86785 1.63646 -49.49384 274.94564
1855.0000 21 0 -49.07239 0.80692 1.69504 -49.04796 351.98514
1860.0000 21 0 -49.21776 0.87626 1.69449 -49.05208 368.96008
1865.0000 21 0 -49.14252 0.94622 1.67503 -49.20022 339.90306
1870.0000 21 0 -49.65700 0.70746 1.65171 -49.37773 307.36188
1875.0000 21 0 -49.49510 0.72448 1.64964 -49.39351 307.87121
1880.0000 21 0 -49.29789 0.95331 1.64753 -49.40958 302.74748
1885.0000 21 0 -49.11871 0.86245 1.67655 -49.18865 345.19210
1890.0000 21 0 -49.21977 0.90987 1.69631 -49.03824 372.63860
1895.0000 21 0 -49.30652 0.79777 1.67499 -49.20057 331.09140
1900.0000 21 0 -49.40261 0.75263 1.65804 -49.32959 311.04216
1905.0000 21 0 -49.35045 0.68916 1.65192 -49.37611 305.05918
1910.0000 21 0 -49.30121 0.91872 1.64704 -49.41327 307.98872
1915.0000 21 0 -49.37158 0.70422 1.62878 -49.55226 278.72688
1920.0000 21 0 -49.27791 0.79311 1.65798 -49.33000 317.38282
1925.0000 21 0 -49.07952 1.20506 1.67126 -49.22896 341.13335
1930.0000 21 0 -49.50738 0.97431 1.65392 -49.36095 321.69973
1935.0000 21 0 -49.50241 0.70412 1.63254 -49.52364 279.12046
1940.0000 21 0 -49.48922 0.61663 1.63590 -49.49809 288.03850
1945.0000 21 0 -49.31047 0.74829 1.65280 -49.36943 309.83157
1950.0000 21 0 -49.24683 1.06825 1.67494 -49.20089 347.92478
1955.0000 21 0 -49.57293 0.83166 1.65786 -49.33095 317.31325
1960.0000 21 0 -49.43614 0.91248 1.62893 -49.55111 283.98240
1965.0000 21 0 -49.32462 0.72721 1.64292 -49.44463 295.03215
1970.0000 21 0 -49.46362 0.81825 1.62501 -49.58097 267.92419
1975.0000 21 0 -49.04635 1.00161 1.66540 -49.27353 333.29451
1980.0000 21 0 -49.50324 0.78787 1.64770 -49.40827 300.92583
1985.0000 21 0 -49.31296 0.79391 1.66306 -49.29134 315.11799
1990.0000 21 0 -49.32455 0.87559 1.64980 -49.39227 288.45978
1995.0000 21 0 -49.35822 0.78693 1.67101 -49.23086 339.82159
2000.0000 21 0 -49.72164 0.70579 1.63069 -49.53770 275.42134
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35837 1.90862 0.67891
force_rgl> df(natom) 0.00000 0.00000 0.00000
2005.0000 22 0 -49.61534 0.76968 1.94965 -49.59248 274.85548
2010.0000 22 0 -50.24137 1.63346 1.91060 -49.89905 536.92511
2015.0000 22 0 -51.12948 1.29366 1.82609 -50.56261 528.61200
2020.0000 22 0 -51.45423 1.26915 1.72088 -51.38862 405.75911
2025.0000 22 0 -52.09154 0.86941 1.64910 -51.95221 305.18167
2030.0000 22 0 -52.00718 0.85466 1.63838 -52.03637 298.73546
2035.0000 22 0 -51.75138 0.90076 1.64880 -51.95456 307.81739
2040.0000 22 0 -51.67999 1.09849 1.68856 -51.64242 352.29816
2045.0000 22 0 -52.07873 0.79145 1.66040 -51.86352 331.12471
2050.0000 22 0 -51.87270 0.76344 1.64678 -51.97046 292.99569
2055.0000 22 0 -52.02993 0.61286 1.63478 -52.06464 290.36744
2060.0000 22 0 -52.17045 0.78334 1.63051 -52.09815 268.34533
2065.0000 22 0 -51.72758 0.73089 1.63862 -52.03447 278.46473
2070.0000 22 0 -52.01043 0.61946 1.63779 -52.04099 287.38996
2075.0000 22 0 -51.85463 0.78100 1.66687 -51.81269 344.21740
2080.0000 22 0 -52.12336 0.64343 1.65780 -51.88392 320.15618
2085.0000 22 0 -52.18251 0.77305 1.61012 -52.25827 256.56220
2090.0000 22 0 -51.89196 0.71623 1.62717 -52.12442 285.10782
2095.0000 22 0 -51.69384 0.82708 1.67258 -51.76785 350.14535
2100.0000 22 0 -52.22282 0.69265 1.65742 -51.88692 324.46114
2105.0000 22 0 -51.92417 0.73206 1.63264 -52.08143 287.24165
2110.0000 22 0 -52.20523 0.58975 1.64008 -52.02302 305.11188
2115.0000 22 0 -52.49096 0.63525 1.60646 -52.28698 251.91703
2120.0000 22 0 -51.91943 0.82302 1.60543 -52.29509 247.01713
2125.0000 22 0 -51.85883 0.83515 1.65681 -51.89170 312.59829
2130.0000 22 0 -51.80302 0.93569 1.66999 -51.78818 342.83234
2135.0000 22 0 -51.59721 1.03481 1.69085 -51.62446 365.46279
2140.0000 22 0 -51.86620 0.82416 1.66655 -51.81523 343.50382
2145.0000 22 0 -52.09174 0.53037 1.63137 -52.09146 287.78139
2150.0000 22 0 -51.74933 0.70828 1.64635 -51.97377 302.65707
2155.0000 22 0 -51.84800 0.83609 1.66577 -51.82136 327.75105
2160.0000 22 0 -51.76567 0.98413 1.65218 -51.92806 313.88458
2165.0000 22 0 -51.84173 0.91140 1.65509 -51.90522 318.29558
2170.0000 22 0 -52.02973 0.77367 1.68133 -51.69913 369.51987
2175.0000 22 0 -52.19502 0.65382 1.62934 -52.10739 284.18845
2180.0000 22 0 -52.07509 0.86476 1.62323 -52.15529 271.00948
2185.0000 22 0 -52.15174 0.80609 1.63931 -52.02909 284.01841
2190.0000 22 0 -51.49583 1.00157 1.65002 -51.94501 308.47995
2195.0000 22 0 -51.67475 1.05091 1.68457 -51.67369 354.21947
2200.0000 22 0 -51.50627 0.93270 1.70252 -51.53278 383.10859
2205.0000 22 0 -51.77770 0.98689 1.66706 -51.81118 338.66101
2210.0000 22 0 -51.78060 1.12412 1.67744 -51.72971 344.57425
2215.0000 22 0 -51.87386 0.79889 1.66398 -51.83538 334.40531
2220.0000 22 0 -51.96130 0.85247 1.67309 -51.76383 340.85270
2225.0000 22 0 -51.94415 0.74741 1.63433 -52.06817 294.99239
2230.0000 22 0 -52.21722 0.72476 1.64331 -51.99765 301.22164
2235.0000 22 0 -51.85810 0.85390 1.64480 -51.98601 303.16474
2240.0000 22 0 -52.23743 0.72594 1.64761 -51.96388 299.47209
2245.0000 22 0 -51.66587 1.03909 1.66095 -51.85918 326.24255
2250.0000 22 0 -52.20063 0.78970 1.65046 -51.94150 311.56468
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37459 0.95102 -0.68049
force_rgl> df(natom) 0.00000 0.00000 0.00000
2255.0000 23 0 -51.54220 1.08272 1.97447 -51.88133 325.84874
2260.0000 23 0 -53.14864 1.31420 1.91039 -52.39958 546.15987
2265.0000 23 0 -53.84472 1.19328 1.75885 -53.62520 428.78345
2270.0000 23 0 -54.36981 0.78956 1.69817 -54.11595 375.29701
2275.0000 23 0 -54.69271 0.61724 1.65869 -54.43522 318.39070
2280.0000 23 0 -54.19976 1.04023 1.64576 -54.53975 305.25576
2285.0000 23 0 -54.22424 1.14249 1.66477 -54.38604 328.31349
2290.0000 23 0 -54.26289 1.28144 1.68153 -54.25047 362.46371
2295.0000 23 0 -54.43154 0.93401 1.67695 -54.28754 342.30291
2300.0000 23 0 -54.68801 0.69402 1.64838 -54.51860 302.21575
2305.0000 23 0 -54.20660 1.10117 1.65147 -54.49357 297.30978
2310.0000 23 0 -54.33032 1.06352 1.68324 -54.23668 342.94455
2315.0000 23 0 -54.17414 1.05554 1.68386 -54.23161 354.46927
2320.0000 23 0 -54.74414 0.88521 1.66085 -54.41771 327.28425
2325.0000 23 0 -54.35852 0.79878 1.64796 -54.52200 301.59853
2330.0000 23 0 -54.11999 1.15118 1.67606 -54.29470 334.24993
2335.0000 23 0 -54.37092 0.91031 1.68724 -54.20428 349.95215
2340.0000 23 0 -54.53839 0.94811 1.66811 -54.35899 328.80338
2345.0000 23 0 -54.67450 0.61286 1.63743 -54.60712 282.27045
2350.0000 23 0 -54.40385 0.97550 1.66924 -54.34988 327.43118
2355.0000 23 0 -53.94340 1.08300 1.69250 -54.16180 345.72966
2360.0000 23 0 -54.28450 0.87365 1.67200 -54.32758 319.81192
2365.0000 23 0 -53.78698 1.01621 1.72224 -53.92129 386.02925
2370.0000 23 0 -54.33728 0.89302 1.69476 -54.14348 325.85251
2375.0000 23 0 -54.85353 0.60119 1.64508 -54.54532 286.62237
2380.0000 23 0 -54.77885 0.94018 1.61798 -54.76445 260.84489
2385.0000 23 0 -54.98703 0.58134 1.60034 -54.90711 240.93481
2390.0000 23 0 -54.27799 1.04719 1.63553 -54.62256 296.47163
2395.0000 23 0 -54.19195 0.83499 1.68686 -54.20736 354.98788
2400.0000 23 0 -54.21039 0.82827 1.68154 -54.25042 350.03405
2405.0000 23 0 -54.22664 1.15043 1.69567 -54.13614 359.90856
2410.0000 23 0 -54.50447 0.90571 1.65663 -54.45186 316.26242
2415.0000 23 0 -54.17651 1.15678 1.67645 -54.29161 347.73093
2420.0000 23 0 -54.53631 0.88959 1.67982 -54.26436 341.63567
2425.0000 23 0 -54.40552 0.90975 1.66602 -54.37592 325.20769
2430.0000 23 0 -54.69408 0.67412 1.63371 -54.63723 278.22617
2435.0000 23 0 -54.29892 0.71341 1.65443 -54.46964 308.59714
2440.0000 23 0 -54.19793 1.14907 1.69405 -54.14920 382.81728
2445.0000 23 0 -54.46596 0.90849 1.66606 -54.37557 329.73939
2450.0000 23 0 -54.34142 0.87882 1.66557 -54.37958 321.83188
2455.0000 23 0 -54.14406 1.00851 1.69798 -54.11746 357.17725
2460.0000 23 0 -54.48451 0.83734 1.66181 -54.40999 307.68954
2465.0000 23 0 -54.53956 0.88206 1.64489 -54.54683 298.28796
2470.0000 23 0 -54.39241 0.94026 1.64736 -54.52683 302.90120
2475.0000 23 0 -54.51982 0.74858 1.65163 -54.49233 308.27537
2480.0000 23 0 -54.47401 1.00616 1.65596 -54.45728 317.15661
2485.0000 23 0 -54.49956 1.01540 1.64242 -54.56680 294.10757
2490.0000 23 0 -54.79524 0.64645 1.62047 -54.74434 264.57872
2495.0000 23 0 -54.43635 1.16304 1.65434 -54.47038 305.01733
2500.0000 23 0 -54.31184 1.06308 1.67668 -54.28968 336.82422
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10028 -0.45208 1.85264
force_rgl> df(natom) 0.00000 0.00000 0.00000
2505.0000 24 0 -54.90479 1.16086 1.95217 -54.55725 324.38638
2510.0000 24 0 -56.52219 0.94614 1.79964 -55.82639 457.58397
2515.0000 24 0 -57.15807 0.70223 1.66932 -56.91071 303.70780
2520.0000 24 0 -57.06238 0.95318 1.64294 -57.13019 269.68511
2525.0000 24 0 -56.72988 1.18461 1.66965 -56.90799 320.42233
2530.0000 24 0 -56.98151 0.71812 1.65849 -57.00081 284.97692
2535.0000 24 0 -56.83709 0.74790 1.70535 -56.61095 347.01829
2540.0000 24 0 -56.92691 0.97747 1.67393 -56.87238 317.13302
2545.0000 24 0 -57.01276 0.84370 1.66962 -56.90821 297.09035
2550.0000 24 0 -56.89204 0.81368 1.66537 -56.94359 296.59294
2555.0000 24 0 -56.86917 1.10567 1.67996 -56.82216 326.39611
2560.0000 24 0 -56.96165 0.84434 1.67268 -56.88270 323.33231
2565.0000 24 0 -56.98130 0.97942 1.64250 -57.13386 281.46758
2570.0000 24 0 -56.80765 1.02849 1.66599 -56.93839 306.43653
2575.0000 24 0 -56.81178 0.86854 1.67358 -56.87528 295.73490
2580.0000 24 0 -56.70877 1.04724 1.68898 -56.74709 313.98105
2585.0000 24 0 -56.67903 1.03293 1.69871 -56.66620 324.98517
2590.0000 24 0 -56.70973 1.04979 1.70012 -56.65442 346.75270
2595.0000 24 0 -56.35101 1.23969 1.70658 -56.60069 361.30941
2600.0000 24 0 -56.16146 1.21308 1.74796 -56.25637 409.73250
2605.0000 24 0 -56.63286 1.04658 1.72261 -56.46728 385.97882
2610.0000 24 0 -56.42627 0.82026 1.71122 -56.56204 361.32572
2615.0000 24 0 -56.89619 0.99145 1.71010 -56.57143 352.13708
2620.0000 24 0 -57.03391 0.78214 1.66333 -56.96056 308.02839
2625.0000 24 0 -57.00903 0.93760 1.65709 -57.01243 294.11222
2630.0000 24 0 -57.13029 0.85463 1.64368 -57.12401 275.87242
2635.0000 24 0 -57.06178 0.82579 1.65324 -57.04453 288.58905
2640.0000 24 0 -57.12540 0.90668 1.65815 -57.00363 291.75079
2645.0000 24 0 -56.81359 0.90308 1.65466 -57.03271 279.81726
2650.0000 24 0 -56.89748 0.79422 1.68582 -56.77343 320.04141
2655.0000 24 0 -57.04872 0.84953 1.68281 -56.79844 332.00099
2660.0000 24 0 -57.02512 1.01459 1.64460 -57.11636 284.51059
2665.0000 24 0 -56.71119 1.06557 1.67413 -56.87068 332.42415
2670.0000 24 0 -56.94759 0.88681 1.70955 -56.57598 370.99506
2675.0000 24 0 -56.96421 0.83718 1.65921 -56.99481 296.13725
2680.0000 24 0 -57.09568 0.82615 1.66861 -56.91657 307.28643
2685.0000 24 0 -56.98401 0.79260 1.64167 -57.14074 269.31954
2690.0000 24 0 -56.47712 0.83836 1.68625 -56.76982 333.03990
2695.0000 24 0 -56.81319 0.95943 1.70104 -56.64675 350.88001
2700.0000 24 0 -56.50711 1.14875 1.68587 -56.77302 332.34731
2705.0000 24 0 -56.49648 1.07935 1.72090 -56.48151 375.71389
2710.0000 24 0 -56.90928 0.90376 1.68287 -56.79793 331.70959
2715.0000 24 0 -56.68819 1.01395 1.67782 -56.83997 323.26778
2720.0000 24 0 -56.63059 1.30838 1.71844 -56.50202 373.40759
2725.0000 24 0 -57.05238 1.01250 1.66219 -56.97003 295.70533
2730.0000 24 0 -57.15048 0.86438 1.63338 -57.20977 253.94302
2735.0000 24 0 -57.22113 0.77774 1.63621 -57.18620 264.96494
2740.0000 24 0 -57.04802 0.76946 1.63471 -57.19870 272.24795
2745.0000 24 0 -56.94280 0.87582 1.67385 -56.87303 312.35158
2750.0000 24 0 -56.72086 0.70177 1.66351 -56.95901 295.90425
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62944 -0.27756 -0.79770
force_rgl> df(natom) 0.00000 0.00000 0.00000
2755.0000 25 0 -56.32419 1.23517 2.00971 -56.56723 344.78019
2760.0000 25 0 -58.05830 1.46731 1.95504 -57.03462 562.60581
2765.0000 25 0 -58.87141 1.16764 1.79330 -58.41748 420.75348
2770.0000 25 0 -58.97624 0.95992 1.72805 -58.97537 352.57460
2775.0000 25 0 -59.29006 0.98746 1.71189 -59.11351 331.78296
2780.0000 25 0 -59.58054 0.75316 1.66223 -59.53817 259.76830
2785.0000 25 0 -59.02908 1.01258 1.70057 -59.21031 320.91713
2790.0000 25 0 -59.54351 0.86372 1.67261 -59.44938 284.93913
2795.0000 25 0 -59.26765 1.13467 1.68191 -59.36985 309.45344
2800.0000 25 0 -59.33383 0.85166 1.69419 -59.26484 326.43345
2805.0000 25 0 -59.46023 0.89623 1.68482 -59.34500 304.24656
2810.0000 25 0 -59.35906 0.90484 1.68255 -59.36442 295.96293
2815.0000 25 0 -59.36951 0.87090 1.67506 -59.42842 285.80134
2820.0000 25 0 -59.34172 1.22122 1.68493 -59.34408 311.59772
2825.0000 25 0 -59.42651 1.03781 1.69026 -59.29850 327.85100
2830.0000 25 0 -59.32293 0.99144 1.68004 -59.38586 302.88310
2835.0000 25 0 -59.50775 0.78563 1.67294 -59.44654 286.77777
2840.0000 25 0 -59.47584 1.00915 1.67722 -59.40999 306.90541
2845.0000 25 0 -59.55364 0.95587 1.65245 -59.62172 270.54564
2850.0000 25 0 -59.11230 1.07494 1.69610 -59.24851 323.46675
2855.0000 25 0 -59.37723 0.80668 1.70541 -59.16899 330.91949
2860.0000 25 0 -59.43758 0.73378 1.68895 -59.30964 297.92561
2865.0000 25 0 -59.58987 0.87500 1.66505 -59.51404 268.07642
2870.0000 25 0 -59.43279 0.82578 1.66888 -59.48126 278.22823
2875.0000 25 0 -59.47842 0.79038 1.68166 -59.37204 297.30193
2880.0000 25 0 -59.31335 0.93386 1.68724 -59.32426 311.29655
2885.0000 25 0 -59.60160 0.84980 1.67054 -59.46705 286.72506
2890.0000 25 0 -59.44470 1.05526 1.65119 -59.63253 256.35026
2895.0000 25 0 -59.43354 0.88366 1.67322 -59.44420 296.87462
2900.0000 25 0 -59.20031 1.16554 1.67879 -59.39654 302.98367
2905.0000 25 0 -59.28888 1.13539 1.70925 -59.13610 349.10202
2910.0000 25 0 -59.15967 1.04995 1.69286 -59.27623 312.72171
2915.0000 25 0 -59.24127 1.11565 1.69070 -59.29469 289.57076
2920.0000 25 0 -59.17034 1.20875 1.71321 -59.10222 332.16101
2925.0000 25 0 -59.34983 0.82688 1.70824 -59.14474 349.16637
2930.0000 25 0 -59.27892 0.98837 1.67303 -59.44578 299.72395
2935.0000 25 0 -59.40346 1.07628 1.68201 -59.36898 314.92778
2940.0000 25 0 -59.19012 1.10306 1.68722 -59.32444 312.04800
2945.0000 25 0 -59.19080 1.02031 1.71770 -59.06387 347.68079
2950.0000 25 0 -59.24942 0.81709 1.72086 -59.03689 357.23649
2955.0000 25 0 -59.15523 0.74009 1.70052 -59.21076 327.52317
2960.0000 25 0 -59.46726 0.92207 1.67874 -59.39696 297.35044
2965.0000 25 0 -59.50986 0.84067 1.66498 -59.51466 286.01630
2970.0000 25 0 -59.30491 1.02452 1.67686 -59.41304 297.47398
2975.0000 25 0 -59.36797 0.86397 1.68829 -59.31530 306.84135
2980.0000 25 0 -59.76835 0.74206 1.66445 -59.51917 300.47692
2985.0000 25 0 -59.25449 1.00671 1.66644 -59.50212 296.93252
2990.0000 25 0 -59.15355 1.14238 1.69196 -59.28395 322.62740
2995.0000 25 0 -59.01150 1.10916 1.71375 -59.09763 343.71723
3000.0000 25 0 -58.82353 1.28937 1.73864 -58.88482 384.41302
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32490 -0.73585 0.21298
force_rgl> df(natom) 0.00000 0.00000 0.00000
3005.0000 26 0 -59.05495 1.56581 2.01883 -58.98197 393.47000
3010.0000 26 0 -60.86780 1.33753 1.88737 -60.13571 509.47870
3015.0000 26 0 -61.45723 1.20604 1.76101 -61.24471 405.29970
3020.0000 26 0 -62.04409 0.96539 1.70930 -61.69853 330.09567
3025.0000 26 0 -62.40725 0.70777 1.63922 -62.31360 259.71113
3030.0000 26 0 -62.02015 1.11107 1.65600 -62.16634 291.96912
3035.0000 26 0 -61.86001 1.14260 1.67496 -61.99989 313.13688
3040.0000 26 0 -61.61197 1.19644 1.69636 -61.81209 335.14337
3045.0000 26 0 -61.82762 1.29932 1.71971 -61.60718 378.78763
3050.0000 26 0 -61.78127 0.99405 1.70264 -61.75694 339.46807
3055.0000 26 0 -61.96512 0.76982 1.68682 -61.89585 312.05441
3060.0000 26 0 -61.84195 1.03179 1.69399 -61.83289 334.64251
3065.0000 26 0 -62.02168 1.07626 1.67878 -61.96639 311.92874
3070.0000 26 0 -61.90520 1.00518 1.68884 -61.87809 335.54163
3075.0000 26 0 -62.13896 0.95381 1.67378 -62.01024 313.19491
3080.0000 26 0 -62.15916 0.94240 1.66327 -62.10254 295.96500
3085.0000 26 0 -62.66359 0.67202 1.62740 -62.41729 260.80198
3090.0000 26 0 -62.57521 0.67946 1.60537 -62.61062 227.01162
3095.0000 26 0 -61.88781 1.00546 1.64559 -62.25767 272.41885
3100.0000 26 0 -61.69530 1.15530 1.70442 -61.74137 345.24301
3105.0000 26 0 -61.90204 1.17248 1.72009 -61.60381 387.62004
3110.0000 26 0 -61.76058 1.16044 1.70212 -61.76157 327.84818
3115.0000 26 0 -62.20193 0.96106 1.65855 -62.14390 292.75308
3120.0000 26 0 -62.49549 0.86237 1.66660 -62.07330 302.90812
3125.0000 26 0 -61.89202 0.91041 1.65273 -62.19505 276.95893
3130.0000 26 0 -61.86269 1.01430 1.69535 -61.82099 331.32479
3135.0000 26 0 -62.11972 0.93907 1.67933 -61.96155 307.48848
3140.0000 26 0 -61.87525 1.04434 1.69362 -61.83616 338.97128
3145.0000 26 0 -62.08689 0.93366 1.67940 -61.96093 309.73729
3150.0000 26 0 -62.49521 0.70954 1.63508 -62.34991 266.21877
3155.0000 26 0 -62.33717 0.68357 1.62871 -62.40583 255.03696
3160.0000 26 0 -62.00008 1.04674 1.65211 -62.20043 281.08040
3165.0000 26 0 -61.69113 1.08766 1.70193 -61.76321 347.01941
3170.0000 26 0 -61.69524 1.14266 1.70137 -61.76809 336.46752
3175.0000 26 0 -61.90972 1.01273 1.68760 -61.88902 312.70113
3180.0000 26 0 -62.32130 0.60309 1.67806 -61.97267 312.20578
3185.0000 26 0 -61.99549 1.09070 1.63306 -62.36762 252.29858
3190.0000 26 0 -61.78899 1.24855 1.68256 -61.93322 324.80515
3195.0000 26 0 -61.85248 1.38450 1.69139 -61.85573 347.92595
3200.0000 26 0 -62.10994 0.92509 1.70095 -61.77183 351.63837
3205.0000 26 0 -61.74009 1.00110 1.68481 -61.91344 318.70244
3210.0000 26 0 -62.14878 1.00338 1.68830 -61.88285 345.12127
3215.0000 26 0 -62.06324 1.19915 1.66944 -62.04837 307.31907
3220.0000 26 0 -62.05505 0.97482 1.66957 -62.04719 305.70993
3225.0000 26 0 -61.89635 1.01455 1.67468 -62.00236 310.76196
3230.0000 26 0 -62.06610 1.12598 1.67632 -61.98794 317.02690
3235.0000 26 0 -61.92631 1.09902 1.68043 -61.95194 322.62061
3240.0000 26 0 -62.33963 0.78242 1.66418 -62.09455 307.58785
3245.0000 26 0 -61.93657 0.97875 1.66351 -62.10043 302.14063
3250.0000 26 0 -61.78947 1.17620 1.66733 -62.06687 303.31182
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81030 1.90811 -0.36074
force_rgl> df(natom) 0.00000 0.00000 0.00000
3255.0000 27 0 -61.47012 1.37096 2.00006 -61.64947 360.60009
3260.0000 27 0 -63.02041 1.68098 1.94930 -62.10630 555.32821
3265.0000 27 0 -64.11224 1.21523 1.79181 -63.52369 416.68020
3270.0000 27 0 -64.20396 1.18630 1.71776 -64.19013 340.61034
3275.0000 27 0 -64.54628 1.00719 1.68080 -64.52283 318.32826
3280.0000 27 0 -64.72339 1.07656 1.67900 -64.53900 321.29266
3285.0000 27 0 -64.65534 0.72255 1.65958 -64.71374 289.78412
3290.0000 27 0 -64.55398 1.06838 1.66704 -64.64664 302.67835
3295.0000 27 0 -64.52469 0.96228 1.69586 -64.38722 334.86049
3300.0000 27 0 -64.53761 1.15395 1.67507 -64.57433 317.75723
3305.0000 27 0 -64.53370 1.19522 1.67103 -64.61074 314.12574
3310.0000 27 0 -64.36830 1.20959 1.68166 -64.51510 321.81426
3315.0000 27 0 -64.48393 1.12785 1.68759 -64.46171 331.23841
3320.0000 27 0 -64.31666 1.32258 1.71334 -64.22995 363.33840
3325.0000 27 0 -64.70070 0.98966 1.71596 -64.20640 364.81271
3330.0000 27 0 -64.89983 1.03829 1.65011 -64.79905 284.48390
3335.0000 27 0 -64.79733 0.85533 1.63272 -64.95551 258.55675
3340.0000 27 0 -64.98993 0.81875 1.63111 -64.97005 249.52783
3345.0000 27 0 -64.72653 1.12124 1.64681 -64.82875 280.42423
3350.0000 27 0 -64.74387 0.79584 1.65691 -64.73779 284.01556
3355.0000 27 0 -64.78853 0.83597 1.67660 -64.56059 309.74061
3360.0000 27 0 -64.50391 0.90974 1.67401 -64.58393 300.12292
3365.0000 27 0 -64.68587 1.11067 1.65297 -64.77324 278.24925
3370.0000 27 0 -64.78620 0.82663 1.65538 -64.75155 289.51109
3375.0000 27 0 -64.99335 1.02169 1.63097 -64.97127 257.70548
3380.0000 27 0 -64.58565 0.96652 1.64635 -64.83283 273.49832
3385.0000 27 0 -64.74249 0.92902 1.65794 -64.72858 289.21415
3390.0000 27 0 -64.45283 1.18939 1.67241 -64.59830 306.00728
3395.0000 27 0 -64.88308 0.80551 1.64879 -64.81085 273.87247
3400.0000 27 0 -64.30368 0.94287 1.68243 -64.50816 319.25116
3405.0000 27 0 -64.37451 1.12886 1.69824 -64.36587 332.10737
3410.0000 27 0 -64.72896 0.93932 1.67873 -64.54141 307.91256
3415.0000 27 0 -64.83567 0.70708 1.65248 -64.77770 269.56287
3420.0000 27 0 -64.74747 0.98445 1.66163 -64.69534 296.15650
3425.0000 27 0 -64.58901 1.10256 1.66450 -64.66949 299.59183
3430.0000 27 0 -64.60811 0.89864 1.66764 -64.64121 304.96758
3435.0000 27 0 -64.62006 1.14434 1.68022 -64.52798 313.53272
3440.0000 27 0 -64.19391 1.05729 1.66738 -64.64354 306.23215
3445.0000 27 0 -64.54652 1.12390 1.69982 -64.35159 342.97172
3450.0000 27 0 -64.58559 1.00777 1.67385 -64.58534 300.67082
3455.0000 27 0 -64.49387 1.23786 1.67494 -64.57551 309.01918
3460.0000 27 0 -64.67140 0.93485 1.67623 -64.56389 307.56147
3465.0000 27 0 -64.60242 1.02273 1.65986 -64.71130 297.78517
3470.0000 27 0 -64.80249 0.93252 1.65838 -64.72460 292.93719
3475.0000 27 0 -64.72131 0.84485 1.67532 -64.57216 304.37294
3480.0000 27 0 -64.98675 0.85841 1.65392 -64.76474 282.86602
3485.0000 27 0 -64.64771 1.00460 1.64444 -64.85002 276.07387
3490.0000 27 0 -64.99158 0.88158 1.65253 -64.77726 288.38345
3495.0000 27 0 -64.59361 0.85988 1.63532 -64.93216 255.85993
3500.0000 27 0 -64.67787 1.02648 1.65454 -64.75912 290.42389
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03343 -2.19107 2.36154
force_rgl> df(natom) 0.00000 0.00000 0.00000
3505.0000 28 0 -64.59312 1.17660 1.95889 -64.53736 304.40836
3510.0000 28 0 -65.94955 1.68209 1.89081 -65.16509 516.86872
3515.0000 28 0 -66.24680 1.42141 1.78033 -66.18382 389.22865
3520.0000 28 0 -66.44665 1.48137 1.76434 -66.33121 372.33772
3525.0000 28 0 -66.35212 1.27091 1.76722 -66.30469 414.04170
3530.0000 28 0 -66.58651 1.22678 1.75771 -66.39239 393.83949
3535.0000 28 0 -66.44060 1.20432 1.73622 -66.59058 371.53223
3540.0000 28 0 -66.59915 1.18171 1.73093 -66.63930 358.81441
3545.0000 28 0 -66.97927 0.98073 1.71146 -66.81883 329.02232
3550.0000 28 0 -66.87573 1.34219 1.69005 -67.01627 312.75336
3555.0000 28 0 -66.53919 1.42255 1.73035 -66.64469 377.09273
3560.0000 28 0 -67.11210 1.18650 1.70345 -66.89273 352.40411
3565.0000 28 0 -67.58153 0.86675 1.64978 -67.38760 290.74858
3570.0000 28 0 -66.78489 1.40285 1.65992 -67.29411 305.41817
3575.0000 28 0 -67.01298 1.18050 1.69351 -66.98437 340.23791
3580.0000 28 0 -67.02548 1.25707 1.67266 -67.17660 329.67349
3585.0000 28 0 -66.87982 1.29401 1.69588 -66.96252 343.44494
3590.0000 28 0 -67.16974 0.91144 1.69346 -66.98485 335.60890
3595.0000 28 0 -67.57704 0.88014 1.64723 -67.41111 280.77885
3600.0000 28 0 -67.43964 1.06488 1.63827 -67.49376 270.24598
3605.0000 28 0 -67.48557 0.97374 1.65039 -67.38192 283.02669
3610.0000 28 0 -67.66944 0.99756 1.62170 -67.64651 254.42820
3615.0000 28 0 -66.99264 1.23282 1.66010 -67.29244 293.11032
3620.0000 28 0 -67.23004 1.05414 1.67623 -67.14369 311.86764
3625.0000 28 0 -67.03303 1.49368 1.67920 -67.11632 305.84021
3630.0000 28 0 -66.73516 1.11925 1.70252 -66.90131 337.71393
3635.0000 28 0 -66.88595 1.40977 1.69620 -66.95954 342.69774
3640.0000 28 0 -67.03677 0.97550 1.70235 -66.90288 359.09961
3645.0000 28 0 -67.41641 0.84200 1.65640 -67.32658 298.85223
3650.0000 28 0 -66.97489 1.19445 1.66857 -67.21433 313.53747
3655.0000 28 0 -67.31784 1.24568 1.65370 -67.35148 288.47169
3660.0000 28 0 -67.45874 0.75230 1.66703 -67.22850 299.72869
3665.0000 28 0 -67.15873 1.27915 1.65523 -67.33729 290.38202
3670.0000 28 0 -66.74615 1.10843 1.69729 -66.94952 351.91642
3675.0000 28 0 -67.07688 1.12912 1.71029 -66.82960 355.23912
3680.0000 28 0 -66.83909 1.19181 1.69459 -66.97441 338.69648
3685.0000 28 0 -67.22155 1.04691 1.70298 -66.89706 352.40920
3690.0000 28 0 -67.35641 1.12301 1.67138 -67.18841 313.49664
3695.0000 28 0 -67.28458 0.93691 1.64318 -67.44844 274.84491
3700.0000 28 0 -67.67786 0.83678 1.64020 -67.47590 267.78311
3705.0000 28 0 -67.16860 1.15308 1.65198 -67.36730 283.80435
3710.0000 28 0 -67.32132 1.02837 1.65949 -67.29809 300.52691
3715.0000 28 0 -67.17173 1.19391 1.66603 -67.23775 297.05123
3720.0000 28 0 -67.46978 0.80120 1.64506 -67.43110 275.78674
3725.0000 28 0 -67.35207 1.22564 1.65099 -67.37643 290.90159
3730.0000 28 0 -67.34284 1.00121 1.67185 -67.18408 317.53950
3735.0000 28 0 -67.18403 1.09787 1.67626 -67.14345 315.27353
3740.0000 28 0 -67.23422 0.86766 1.66068 -67.28711 301.33391
3745.0000 28 0 -67.16123 0.93786 1.66974 -67.20355 307.35114
3750.0000 28 0 -67.58213 1.03206 1.62688 -67.59875 259.39565
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39620 -0.54068 0.00719
force_rgl> df(natom) 0.00000 0.00000 0.00000
3755.0000 29 0 -67.02147 2.54354 1.91971 -67.42963 289.83108
3760.0000 29 0 -68.49056 1.45228 1.88308 -67.77532 521.22032
3765.0000 29 0 -68.87988 1.08269 1.77444 -68.80080 399.51634
3770.0000 29 0 -69.25281 1.30269 1.75361 -68.99742 371.11673
3775.0000 29 0 -69.49994 1.13082 1.70841 -69.42412 329.34248
3780.0000 29 0 -69.43902 1.04417 1.68821 -69.61474 297.28008
3785.0000 29 0 -69.33583 1.26958 1.70460 -69.46008 315.83498
3790.0000 29 0 -69.47957 0.98701 1.69808 -69.52159 312.69851
3795.0000 29 0 -69.76539 1.02464 1.69409 -69.55931 317.31269
3800.0000 29 0 -69.75918 1.12150 1.66916 -69.79457 279.05422
3805.0000 29 0 -69.55918 0.79936 1.69111 -69.58741 300.87030
3810.0000 29 0 -69.42042 1.23798 1.72361 -69.28066 340.30376
3815.0000 29 0 -69.49028 0.97639 1.70014 -69.50216 307.86777
3820.0000 29 0 -69.01902 1.43301 1.73938 -69.13179 374.12267
3825.0000 29 0 -69.27366 1.29531 1.73600 -69.16366 369.60384
3830.0000 29 0 -69.34448 1.15044 1.73370 -69.18534 359.88549
3835.0000 29 0 -69.60164 1.03150 1.68978 -69.59995 309.11704
3840.0000 29 0 -69.50091 0.99010 1.70113 -69.49278 313.63932
3845.0000 29 0 -69.53241 1.14284 1.71299 -69.38083 322.81098
3850.0000 29 0 -69.51563 1.22265 1.71893 -69.32483 340.23731
3855.0000 29 0 -69.96154 0.93466 1.68207 -69.67269 287.62804
3860.0000 29 0 -69.46857 1.05067 1.65456 -69.93244 253.35364
3865.0000 29 0 -69.62947 1.32854 1.71511 -69.36085 334.48731
3870.0000 29 0 -69.45182 1.12619 1.69409 -69.55927 309.43262
3875.0000 29 0 -69.57932 1.16218 1.69018 -69.59617 305.06318
3880.0000 29 0 -69.49904 1.10814 1.69895 -69.51340 297.63022
3885.0000 29 0 -69.31281 1.47498 1.70221 -69.48264 325.46494
3890.0000 29 0 -69.12993 1.19489 1.73548 -69.16854 356.62462
3895.0000 29 0 -69.11466 1.47375 1.73571 -69.16636 369.34717
3900.0000 29 0 -69.32406 1.41429 1.70653 -69.44187 340.98672
3905.0000 29 0 -69.52219 1.15090 1.71457 -69.36591 345.68132
3910.0000 29 0 -69.51941 1.00666 1.68078 -69.68492 300.16799
3915.0000 29 0 -69.55890 1.27639 1.69135 -69.58517 319.44527
3920.0000 29 0 -69.32998 1.20365 1.70135 -69.49076 330.46689
3925.0000 29 0 -69.63542 1.09995 1.68376 -69.65682 312.55704
3930.0000 29 0 -69.74539 1.10881 1.70434 -69.46248 349.66552
3935.0000 29 0 -69.97496 0.99052 1.67561 -69.73370 301.86943
3940.0000 29 0 -69.62416 0.96231 1.66841 -69.80170 292.31194
3945.0000 29 0 -69.44883 1.48094 1.70642 -69.44287 339.07009
3950.0000 29 0 -69.51947 1.28569 1.71314 -69.37945 349.70131
3955.0000 29 0 -69.88005 1.08590 1.68125 -69.68051 308.13404
3960.0000 29 0 -69.78948 1.05196 1.68494 -69.64563 311.91429
3965.0000 29 0 -69.96681 0.93500 1.64912 -69.98376 279.98429
3970.0000 29 0 -69.46887 1.16632 1.68140 -69.67909 309.47786
3975.0000 29 0 -69.52112 1.36828 1.69754 -69.52670 345.07882
3980.0000 29 0 -69.16749 1.26846 1.70069 -69.49698 330.91389
3985.0000 29 0 -69.88685 1.01554 1.71126 -69.39719 345.58722
3990.0000 29 0 -69.97373 1.01522 1.66987 -69.78788 305.32366
3995.0000 29 0 -69.97556 0.93600 1.64813 -69.99307 269.09534
4000.0000 29 0 -70.02756 1.03263 1.67332 -69.75527 296.20083
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09114 1.08284 -0.66568
force_rgl> df(natom) 0.00000 0.00000 0.00000
4005.0000 30 0 -69.67159 2.28696 1.92390 -69.92498 315.71781
4010.0000 30 0 -71.61313 1.29566 1.84398 -70.69653 454.76110
4015.0000 30 0 -71.46021 1.32100 1.74309 -71.67069 341.87396
4020.0000 30 0 -72.06304 1.13127 1.73009 -71.79615 335.01679
4025.0000 30 0 -72.04090 1.24311 1.71043 -71.98594 313.75484
4030.0000 30 0 -71.97538 1.14120 1.72714 -71.82467 331.32450
4035.0000 30 0 -72.12452 1.31414 1.69977 -72.08888 308.01380
4040.0000 30 0 -72.48816 0.93611 1.67640 -72.31449 284.60562
4045.0000 30 0 -72.31295 1.06184 1.66854 -72.39045 284.97460
4050.0000 30 0 -72.58828 0.86992 1.67214 -72.35571 282.01848
4055.0000 30 0 -72.33904 1.21038 1.65945 -72.47819 269.93506
4060.0000 30 0 -72.66314 1.07271 1.64937 -72.57548 261.85593
4065.0000 30 0 -72.59655 0.93785 1.64304 -72.63658 246.74631
4070.0000 30 0 -72.12508 1.20551 1.66091 -72.46404 274.41685
4075.0000 30 0 -72.26474 0.92465 1.69640 -72.12140 302.66976
4080.0000 30 0 -72.23718 1.16145 1.69064 -72.17704 306.91680
4085.0000 30 0 -72.32703 1.10650 1.69357 -72.14872 307.64451
4090.0000 30 0 -72.26644 0.97364 1.69574 -72.12779 306.42477
4095.0000 30 0 -72.11314 1.12699 1.68558 -72.22586 300.33276
4100.0000 30 0 -72.45860 1.10458 1.68178 -72.26258 292.07762
4105.0000 30 0 -72.28751 1.03720 1.69602 -72.12510 313.10807
4110.0000 30 0 -72.21324 1.22138 1.69307 -72.15363 310.36812
4115.0000 30 0 -72.15437 1.31994 1.67787 -72.30038 294.76669
4120.0000 30 0 -71.68753 1.47118 1.71680 -71.92446 336.41964
4125.0000 30 0 -72.01727 0.93650 1.74061 -71.69461 359.61352
4130.0000 30 0 -72.19351 1.14036 1.71326 -71.95864 328.02257
4135.0000 30 0 -72.03577 1.20085 1.68840 -72.19872 282.31774
4140.0000 30 0 -71.85461 1.37303 1.72377 -71.85717 341.04493
4145.0000 30 0 -72.22934 1.35607 1.68817 -72.20087 293.13689
4150.0000 30 0 -72.55487 1.09324 1.66034 -72.46958 265.40290
4155.0000 30 0 -72.49678 1.00405 1.65866 -72.48578 261.48110
4160.0000 30 0 -72.64734 1.07732 1.64712 -72.59727 251.66640
4165.0000 30 0 -72.07670 1.06844 1.66117 -72.46156 274.61290
4170.0000 30 0 -72.32247 1.06790 1.71318 -71.95946 328.28143
4175.0000 30 0 -72.41500 1.01681 1.67393 -72.33837 290.22798
4180.0000 30 0 -72.36234 0.89056 1.67647 -72.31385 282.92003
4185.0000 30 0 -72.65385 1.10797 1.64950 -72.57425 252.26080
4190.0000 30 0 -72.23651 1.22737 1.67743 -72.30456 285.07265
4195.0000 30 0 -72.55898 0.97383 1.66235 -72.45016 271.65120
4200.0000 30 0 -72.79275 0.86517 1.64984 -72.57097 252.96963
4205.0000 30 0 -72.27356 1.19981 1.66112 -72.46204 271.52968
4210.0000 30 0 -72.51349 1.25852 1.69498 -72.13512 304.45527
4215.0000 30 0 -72.47709 0.99151 1.63753 -72.68979 244.07783
4220.0000 30 0 -72.54261 0.72597 1.67544 -72.32381 283.67690
4225.0000 30 0 -72.34221 1.12556 1.66780 -72.39752 275.96886
4230.0000 30 0 -71.89758 1.30034 1.69014 -72.18187 300.94709
4235.0000 30 0 -71.87553 1.35565 1.71721 -71.92048 344.35392
4240.0000 30 0 -72.26453 1.07802 1.69111 -72.17248 303.38865
4245.0000 30 0 -72.07071 1.23399 1.71552 -71.93688 331.79234
4250.0000 30 0 -71.71675 1.36608 1.72052 -71.88852 337.95028
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51369 -0.94072 1.40189
force_rgl> df(natom) 0.00000 0.00000 0.00000
4255.0000 31 0 -72.53991 1.74042 1.97123 -71.99738 327.24961
4260.0000 31 0 -74.12672 1.34816 1.82814 -73.40945 424.94998
4265.0000 31 0 -74.67149 1.27458 1.71781 -74.49817 291.52501
4270.0000 31 0 -74.72736 1.14045 1.68503 -74.82171 258.71016
4275.0000 31 0 -74.57576 1.19929 1.70593 -74.61538 278.22057
4280.0000 31 0 -74.76442 0.98418 1.71602 -74.51586 290.08766
4285.0000 31 0 -74.01275 1.28141 1.72845 -74.39314 308.06847
4290.0000 31 0 -74.16766 1.45546 1.76228 -74.05931 338.02602
4295.0000 31 0 -74.35680 1.12613 1.73090 -74.36897 316.08253
4300.0000 31 0 -74.52964 1.12363 1.73829 -74.29609 327.42952
4305.0000 31 0 -74.63723 1.17738 1.72483 -74.42894 315.07818
4310.0000 31 0 -74.64730 0.92557 1.67796 -74.89145 255.89353
4315.0000 31 0 -74.81012 1.06678 1.70937 -74.58151 296.67511
4320.0000 31 0 -73.77389 1.20263 1.73923 -74.28676 331.40196
4325.0000 31 0 -74.28374 1.59257 1.74064 -74.27285 348.05249
4330.0000 31 0 -74.53430 1.28348 1.70769 -74.59806 313.68474
4335.0000 31 0 -74.64930 1.21492 1.69606 -74.71278 307.12243
4340.0000 31 0 -74.77268 1.14319 1.70480 -74.62658 319.55934
4345.0000 31 0 -74.25947 1.35979 1.71389 -74.53690 316.69654
4350.0000 31 0 -74.28785 1.50165 1.75085 -74.17209 333.03593
4355.0000 31 0 -74.83240 1.17266 1.72132 -74.46359 319.75230
4360.0000 31 0 -74.72344 1.14778 1.70442 -74.63030 308.27599
4365.0000 31 0 -74.49042 1.34187 1.71146 -74.56085 330.13903
4370.0000 31 0 -74.98688 1.00783 1.68325 -74.83921 291.83395
4375.0000 31 0 -74.71413 1.21870 1.66833 -74.98645 272.91563
4380.0000 31 0 -74.07840 1.16292 1.74672 -74.21293 352.09198
4385.0000 31 0 -74.38967 1.15974 1.75086 -74.17205 352.18699
4390.0000 31 0 -74.17082 1.42399 1.72112 -74.46549 319.68831
4395.0000 31 0 -74.62564 1.16217 1.72918 -74.38601 342.53125
4400.0000 31 0 -74.99816 1.05162 1.68962 -74.77641 304.89158
4405.0000 31 0 -74.78850 1.15469 1.67609 -74.90991 265.46165
4410.0000 31 0 -74.50694 1.29863 1.70331 -74.64127 321.42352
4415.0000 31 0 -74.67403 1.23566 1.71161 -74.55932 322.14377
4420.0000 31 0 -74.46934 1.37853 1.71951 -74.48144 329.41922
4425.0000 31 0 -74.71357 1.27345 1.70382 -74.63625 324.25637
4430.0000 31 0 -74.54387 1.26633 1.70151 -74.65900 305.83454
4435.0000 31 0 -74.71690 1.13158 1.71718 -74.50445 318.22906
4440.0000 31 0 -74.80221 1.10514 1.69299 -74.74315 294.15900
4445.0000 31 0 -74.64011 1.11996 1.70814 -74.59359 317.00796
4450.0000 31 0 -74.63211 1.23527 1.71175 -74.55794 308.62586
4455.0000 31 0 -74.56561 1.11646 1.70883 -74.58677 301.61754
4460.0000 31 0 -74.63005 1.15400 1.71270 -74.54857 315.33660
4465.0000 31 0 -74.50190 1.34597 1.71101 -74.56532 317.70851
4470.0000 31 0 -74.79446 1.24813 1.71097 -74.56566 328.18940
4475.0000 31 0 -74.44528 1.32746 1.70405 -74.63397 317.77135
4480.0000 31 0 -74.55111 1.04351 1.73473 -74.33117 352.67806
4485.0000 31 0 -74.48361 1.50948 1.72568 -74.42047 333.32058
4490.0000 31 0 -74.36733 1.28208 1.70217 -74.65255 312.03766
4495.0000 31 0 -74.60536 1.19005 1.72557 -74.42161 343.81297
4500.0000 31 0 -74.95425 1.06661 1.68744 -74.79789 297.05192
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38194 -0.60048 -0.42125
force_rgl> df(natom) 0.00000 0.00000 0.00000
4505.0000 32 0 -74.31208 2.18164 1.95058 -74.73942 304.21217
4510.0000 32 0 -76.59961 1.70177 1.87503 -75.50084 484.42030
4515.0000 32 0 -76.94147 1.24840 1.72158 -77.04755 325.85097
4520.0000 32 0 -77.52990 1.14808 1.72877 -76.97510 344.45184
4525.0000 32 0 -77.64035 0.92482 1.67476 -77.51950 284.24081
4530.0000 32 0 -77.29964 1.28287 1.68453 -77.42105 293.17088
4535.0000 32 0 -77.12558 1.43327 1.70172 -77.24775 327.31829
4540.0000 32 0 -76.73513 1.56564 1.73038 -76.95883 349.59835
4545.0000 32 0 -77.57665 0.95597 1.72009 -77.06258 329.78797
4550.0000 32 0 -77.72419 0.96592 1.67123 -77.55501 275.39744
4555.0000 32 0 -77.35636 1.23999 1.66361 -77.63182 258.70233
4560.0000 32 0 -77.25727 1.12946 1.70123 -77.25269 308.35133
4565.0000 32 0 -77.01589 1.38084 1.72462 -77.01694 321.27696
4570.0000 32 0 -77.13006 1.22365 1.70767 -77.18775 318.11267
4575.0000 32 0 -77.06114 1.59701 1.70329 -77.23188 321.16899
4580.0000 32 0 -76.91534 1.34941 1.73948 -76.86714 366.11235
4585.0000 32 0 -77.09121 1.39787 1.71012 -77.16304 323.24644
4590.0000 32 0 -77.42916 0.99604 1.69478 -77.31765 314.96826
4595.0000 32 0 -77.51214 1.16479 1.66661 -77.60164 278.37192
4600.0000 32 0 -77.52716 1.11629 1.65886 -77.67977 272.35244
4605.0000 32 0 -77.43935 1.22169 1.67559 -77.51115 288.20149
4610.0000 32 0 -77.13866 1.32045 1.71734 -77.09034 334.30984
4615.0000 32 0 -77.66386 1.02306 1.68532 -77.41300 297.26932
4620.0000 32 0 -77.68525 0.97410 1.66922 -77.57532 283.30098
4625.0000 32 0 -77.21571 1.51850 1.68926 -77.37337 298.73625
4630.0000 32 0 -77.42320 1.18853 1.67707 -77.49624 289.71159
4635.0000 32 0 -77.12507 1.28878 1.69556 -77.30979 313.99616
4640.0000 32 0 -77.21193 1.37568 1.71473 -77.11655 339.17879
4645.0000 32 0 -77.29401 1.38990 1.68620 -77.40414 295.66202
4650.0000 32 0 -77.23163 1.17372 1.71302 -77.13380 311.33438
4655.0000 32 0 -77.20224 1.19366 1.71167 -77.14744 319.50811
4660.0000 32 0 -76.95519 1.50059 1.71745 -77.08919 327.96986
4665.0000 32 0 -77.13985 1.22080 1.71729 -77.09085 322.98268
4670.0000 32 0 -77.55201 1.18819 1.69758 -77.28947 320.94136
4675.0000 32 0 -77.31788 0.98507 1.67362 -77.53092 292.05169
4680.0000 32 0 -77.39793 1.01757 1.69272 -77.33843 317.82837
4685.0000 32 0 -78.04932 0.88736 1.65530 -77.71564 256.74471
4690.0000 32 0 -77.08130 1.34954 1.66812 -77.58637 278.45321
4695.0000 32 0 -77.42973 1.15306 1.69261 -77.33956 305.41779
4700.0000 32 0 -77.09072 1.32722 1.70042 -77.26083 307.98843
4705.0000 32 0 -77.54027 1.44072 1.70171 -77.24788 315.64888
4710.0000 32 0 -77.45415 1.04360 1.66302 -77.63779 280.05538
4715.0000 32 0 -77.60981 0.84846 1.67883 -77.47850 280.91073
4720.0000 32 0 -77.47894 1.19890 1.66112 -77.65700 265.85034
4725.0000 32 0 -76.90402 1.13688 1.70085 -77.25652 314.75390
4730.0000 32 0 -76.88855 1.51767 1.72664 -76.99660 354.42540
4735.0000 32 0 -77.42943 1.03608 1.71047 -77.15957 302.47721
4740.0000 32 0 -77.17464 1.18645 1.69772 -77.28801 307.04280
4745.0000 32 0 -76.92970 1.54231 1.71245 -77.13962 328.72338
4750.0000 32 0 -77.82013 1.07231 1.69268 -77.33887 307.21562
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01078 1.41344 -1.47293
force_rgl> df(natom) 0.00000 0.00000 0.00000
4755.0000 33 0 -77.40200 1.98586 1.91989 -77.59764 299.56676
4760.0000 33 0 -79.19781 1.39197 1.85750 -78.23958 458.20493
4765.0000 33 0 -79.34526 1.55066 1.75584 -79.28545 357.11782
4770.0000 33 0 -79.75131 1.27922 1.73247 -79.52587 321.31290
4775.0000 33 0 -79.83201 1.37402 1.69085 -79.95410 290.76936
4780.0000 33 0 -79.44899 1.47167 1.71549 -79.70053 322.81004
4785.0000 33 0 -79.54058 1.53917 1.74230 -79.42472 356.84419
4790.0000 33 0 -80.29493 0.98538 1.69078 -79.95478 298.89287
4795.0000 33 0 -80.33313 0.93885 1.65552 -80.31752 262.07353
4800.0000 33 0 -80.37527 1.04253 1.65850 -80.28694 264.55856
4805.0000 33 0 -80.01200 1.38508 1.65893 -80.28249 270.91026
4810.0000 33 0 -79.98274 1.30493 1.70676 -79.79043 318.70960
4815.0000 33 0 -80.06305 1.17851 1.67574 -80.10949 285.30857
4820.0000 33 0 -79.76591 1.43578 1.67623 -80.10451 290.36495
4825.0000 33 0 -79.92378 1.23263 1.71074 -79.74945 329.11729
4830.0000 33 0 -79.67069 1.18488 1.68444 -80.02005 292.73666
4835.0000 33 0 -79.97951 1.38212 1.69243 -79.93784 309.03783
4840.0000 33 0 -80.10518 1.11911 1.68069 -80.05864 290.61515
4845.0000 33 0 -79.86650 1.23102 1.69186 -79.94367 306.18167
4850.0000 33 0 -79.83700 1.40862 1.69832 -79.87719 315.77346
4855.0000 33 0 -79.72143 1.38871 1.71214 -79.73506 322.93884
4860.0000 33 0 -80.10288 1.46534 1.70089 -79.85073 316.67972
4865.0000 33 0 -79.68320 1.16611 1.71917 -79.66268 337.86144
4870.0000 33 0 -79.91961 1.37836 1.71467 -79.70903 330.02728
4875.0000 33 0 -80.15308 1.32441 1.68524 -80.01182 297.44571
4880.0000 33 0 -80.48922 1.10395 1.66625 -80.20717 279.13236
4885.0000 33 0 -80.27480 1.11936 1.66360 -80.23443 273.25866
4890.0000 33 0 -80.28807 1.00143 1.67945 -80.07139 288.56214
4895.0000 33 0 -80.17919 1.08108 1.68156 -80.04965 296.34408
4900.0000 33 0 -80.37261 1.14344 1.65230 -80.35067 261.13112
4905.0000 33 0 -80.11445 1.17296 1.67111 -80.15716 278.39303
4910.0000 33 0 -79.48131 1.47898 1.70593 -79.79897 316.31847
4915.0000 33 0 -80.08571 1.27345 1.70722 -79.78562 322.66580
4920.0000 33 0 -80.29268 1.28265 1.67316 -80.13603 289.29357
4925.0000 33 0 -80.34826 1.23242 1.64603 -80.41515 251.25021
4930.0000 33 0 -79.81885 1.30389 1.68656 -79.99822 304.92592
4935.0000 33 0 -79.46035 1.24495 1.70557 -79.80264 316.33343
4940.0000 33 0 -79.72548 1.60127 1.73544 -79.49536 359.95956
4945.0000 33 0 -79.82694 1.41869 1.69782 -79.88237 313.77707
4950.0000 33 0 -80.10902 1.01624 1.67103 -80.15793 274.70630
4955.0000 33 0 -79.93552 1.33515 1.68137 -80.05161 295.15096
4960.0000 33 0 -80.44280 0.82047 1.65729 -80.29930 254.95965
4965.0000 33 0 -80.24422 1.15327 1.66867 -80.18222 264.48776
4970.0000 33 0 -79.96295 1.31416 1.68200 -80.04515 282.31953
4975.0000 33 0 -80.10879 1.03730 1.66096 -80.26157 265.98010
4980.0000 33 0 -79.73610 1.53487 1.69099 -79.95258 294.83187
4985.0000 33 0 -79.60486 1.40994 1.70919 -79.76543 329.76307
4990.0000 33 0 -80.10372 1.44127 1.69235 -79.93864 299.82800
4995.0000 33 0 -79.91208 1.22084 1.69032 -79.95955 293.40319
5000.0000 33 0 -79.78571 1.19881 1.70185 -79.84089 316.40183
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10868 0.21543 -0.23468
force_rgl> df(natom) 0.00000 0.00000 0.00000
5005.0000 34 0 -79.87432 2.07640 1.95213 -79.81225 333.88436
5010.0000 34 0 -81.35473 2.06999 1.88465 -80.52043 488.12951
5015.0000 34 0 -82.10882 1.21013 1.75195 -81.91309 343.38095
5020.0000 34 0 -81.96656 1.39069 1.73702 -82.06985 326.60694
5025.0000 34 0 -81.49067 1.47367 1.77032 -81.72031 361.94261
5030.0000 34 0 -82.53672 1.34179 1.73036 -82.13968 305.76064
5035.0000 34 0 -82.44696 1.00356 1.69778 -82.48164 275.94344
5040.0000 34 0 -82.34141 1.12987 1.71398 -82.31164 295.07236
5045.0000 34 0 -82.19654 1.43209 1.73815 -82.05793 326.24235
5050.0000 34 0 -82.22675 1.25453 1.71599 -82.29056 306.10799
5055.0000 34 0 -82.33535 1.26127 1.72322 -82.21468 309.77196
5060.0000 34 0 -82.09995 1.33853 1.71422 -82.30911 312.38067
5065.0000 34 0 -81.90822 1.41184 1.74646 -81.97075 341.75294
5070.0000 34 0 -82.30276 1.59134 1.73635 -82.07684 337.28979
5075.0000 34 0 -82.60336 1.38084 1.72056 -82.24257 342.97127
5080.0000 34 0 -82.75920 1.18676 1.66507 -82.82490 275.78564
5085.0000 34 0 -83.08656 1.12856 1.64458 -83.03999 255.09034
5090.0000 34 0 -82.51949 1.29903 1.66992 -82.77402 289.22900
5095.0000 34 0 -81.86097 1.46298 1.71596 -82.29086 340.31282
5100.0000 34 0 -82.39915 1.51420 1.72889 -82.15518 345.03499
5105.0000 34 0 -82.74928 1.22454 1.68958 -82.56767 305.35552
5110.0000 34 0 -82.26930 1.48862 1.67753 -82.69419 293.75774
5115.0000 34 0 -82.52728 1.31320 1.70445 -82.41160 325.07868
5120.0000 34 0 -82.66570 1.32812 1.68893 -82.57452 301.97728
5125.0000 34 0 -82.21134 1.36332 1.71602 -82.29019 339.39481
5130.0000 34 0 -82.13167 1.41207 1.73248 -82.11747 353.74603
5135.0000 34 0 -82.14611 1.46537 1.72809 -82.16351 345.57612
5140.0000 34 0 -82.02441 1.64506 1.73420 -82.09945 361.11731
5145.0000 34 0 -82.44624 1.43120 1.72264 -82.22072 340.88421
5150.0000 34 0 -82.71855 1.24996 1.70214 -82.43587 324.94400
5155.0000 34 0 -82.81306 1.36279 1.67029 -82.77015 289.40108
5160.0000 34 0 -82.98281 1.06079 1.66453 -82.83058 293.44356
5165.0000 34 0 -82.66768 1.23885 1.65192 -82.96298 261.79469
5170.0000 34 0 -82.34172 1.39580 1.71647 -82.28546 337.03104
5175.0000 34 0 -82.43182 1.23061 1.72477 -82.19841 348.22572
5180.0000 34 0 -82.50750 1.18270 1.69019 -82.56129 302.56053
5185.0000 34 0 -82.30962 1.41836 1.72528 -82.19305 345.51459
5190.0000 34 0 -82.53121 1.31507 1.71117 -82.34116 336.43806
5195.0000 34 0 -82.50909 1.22378 1.68491 -82.61677 293.66584
5200.0000 34 0 -82.37206 1.41736 1.72042 -82.24409 342.34814
5205.0000 34 0 -82.45717 1.50546 1.70210 -82.43635 322.19146
5210.0000 34 0 -82.48021 1.16198 1.69763 -82.48319 320.90031
5215.0000 34 0 -82.72179 1.30349 1.70125 -82.44528 315.33440
5220.0000 34 0 -82.86758 1.07411 1.68009 -82.66727 299.66999
5225.0000 34 0 -82.57469 1.35166 1.69789 -82.48051 315.02654
5230.0000 34 0 -82.63606 1.25120 1.69664 -82.49363 318.33017
5235.0000 34 0 -82.08315 1.36375 1.70925 -82.36129 324.89296
5240.0000 34 0 -82.69989 1.43323 1.71972 -82.25143 340.32876
5245.0000 34 0 -82.61620 1.40437 1.67189 -82.75341 296.69285
5250.0000 34 0 -82.52836 1.33013 1.69811 -82.47818 323.09970
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.15528 0.57352 -1.43220
force_rgl> df(natom) 0.00000 0.00000 0.00000
5255.0000 35 0 -82.69117 2.10759 1.93037 -82.59528 327.32282
5260.0000 35 0 -84.30513 1.44881 1.85983 -83.35009 426.88586
5265.0000 35 0 -84.45204 1.55525 1.74128 -84.61853 317.31406
5270.0000 35 0 -84.54373 1.70774 1.76044 -84.41349 351.96843
5275.0000 35 0 -85.01617 1.43585 1.71510 -84.89859 292.82146
5280.0000 35 0 -84.91081 1.22574 1.69948 -85.06576 281.76492
5285.0000 35 0 -85.04073 1.32171 1.71696 -84.87870 299.25013
5290.0000 35 0 -85.02193 1.39094 1.69977 -85.06266 290.19483
5295.0000 35 0 -84.83350 1.27700 1.68825 -85.18593 270.50393
5300.0000 35 0 -84.69093 1.48346 1.72593 -84.78279 316.56830
5305.0000 35 0 -85.41079 1.31885 1.70392 -85.01827 297.75329
5310.0000 35 0 -84.93248 1.50097 1.70803 -84.97425 296.26604
5315.0000 35 0 -85.20903 1.17101 1.69490 -85.11477 278.89682
5320.0000 35 0 -84.62582 1.48292 1.71773 -84.87055 299.39734
5325.0000 35 0 -85.09595 1.47130 1.70423 -85.01500 306.69318
5330.0000 35 0 -84.74661 1.50671 1.73024 -84.73666 329.82415
5335.0000 35 0 -85.18697 1.34070 1.72773 -84.76346 323.33956
5340.0000 35 0 -85.20704 1.29200 1.70231 -85.03546 289.44953
5345.0000 35 0 -84.98822 1.52947 1.68749 -85.19411 285.99070
5350.0000 35 0 -84.82325 1.43724 1.72626 -84.77925 328.04654
5355.0000 35 0 -85.03109 1.34386 1.71935 -84.85322 318.71243
5360.0000 35 0 -84.91525 1.33055 1.72956 -84.74388 330.22386
5365.0000 35 0 -85.13294 1.36472 1.70228 -85.03580 308.50722
5370.0000 35 0 -85.08208 1.14768 1.69338 -85.13107 295.35628
5375.0000 35 0 -84.71350 1.60363 1.70704 -84.98485 318.99315
5380.0000 35 0 -85.48851 1.23139 1.67015 -85.37963 279.71610
5385.0000 35 0 -85.89139 1.04829 1.65302 -85.56285 254.44579
5390.0000 35 0 -85.10269 1.26659 1.65175 -85.57647 257.40307
5395.0000 35 0 -84.75146 1.58729 1.72175 -84.82750 337.07546
5400.0000 35 0 -84.60820 1.59451 1.74033 -84.62869 352.56543
5405.0000 35 0 -84.92577 1.66142 1.71434 -84.90673 329.80032
5410.0000 35 0 -84.75638 1.28409 1.72448 -84.79831 330.89510
5415.0000 35 0 -84.85455 1.33034 1.71633 -84.88543 316.44831
5420.0000 35 0 -85.01852 1.39099 1.70513 -85.00530 300.08749
5425.0000 35 0 -85.08721 1.39251 1.72667 -84.77488 331.60674
5430.0000 35 0 -84.82830 1.51121 1.70388 -85.01869 316.35492
5435.0000 35 0 -85.50911 1.17319 1.70723 -84.98282 324.08584
5440.0000 35 0 -85.17536 1.20407 1.66239 -85.46267 263.57509
5445.0000 35 0 -85.17385 1.20459 1.68742 -85.19485 290.22444
5450.0000 35 0 -85.11911 1.26190 1.69285 -85.13668 291.30299
5455.0000 35 0 -84.97891 1.03180 1.69778 -85.08395 295.64563
5460.0000 35 0 -85.25653 1.49050 1.67879 -85.28718 273.37690
5465.0000 35 0 -85.20038 1.31739 1.67868 -85.28833 275.04324
5470.0000 35 0 -84.85190 1.42344 1.70483 -85.00848 303.87828
5475.0000 35 0 -85.39316 1.21756 1.68586 -85.21155 279.85142
5480.0000 35 0 -85.46509 1.08652 1.66184 -85.46847 251.56967
5485.0000 35 0 -85.31240 1.35567 1.68229 -85.24969 277.77532
5490.0000 35 0 -85.14490 1.42496 1.69932 -85.06753 298.09201
5495.0000 35 0 -85.03841 1.48100 1.69411 -85.12328 295.57817
5500.0000 35 0 -85.12610 1.48064 1.71001 -84.95312 322.55115
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02351 -0.56167 0.76560
force_rgl> df(natom) 0.00000 0.00000 0.00000
5505.0000 36 0 -85.37339 2.25656 1.93448 -85.10891 323.08479
5510.0000 36 0 -87.04453 1.24411 1.86009 -85.91998 429.64758
5515.0000 36 0 -87.92587 1.35753 1.72165 -87.42929 293.14166
5520.0000 36 0 -87.36931 1.31832 1.69338 -87.73750 255.27262
5525.0000 36 0 -87.56515 1.16846 1.70662 -87.59322 271.10469
5530.0000 36 0 -87.64513 1.16375 1.68844 -87.79137 253.36546
5535.0000 36 0 -87.27981 1.60848 1.72652 -87.37618 299.55335
5540.0000 36 0 -87.48915 1.27312 1.73507 -87.28305 354.69347
5545.0000 36 0 -87.40904 1.64964 1.73391 -87.29562 340.65224
5550.0000 36 0 -87.59486 1.35256 1.72518 -87.39086 328.82276
5555.0000 36 0 -87.42533 1.61918 1.71236 -87.53061 314.77774
5560.0000 36 0 -87.77997 1.33639 1.70403 -87.62144 305.98870
5565.0000 36 0 -87.38144 1.64786 1.70575 -87.60265 309.03760
5570.0000 36 0 -87.61503 1.37696 1.71345 -87.51871 318.64345
5575.0000 36 0 -87.60866 1.41535 1.70800 -87.57810 315.15618
5580.0000 36 0 -87.36186 1.84418 1.71265 -87.52748 319.62249
5585.0000 36 0 -87.73437 1.41374 1.71884 -87.45993 328.55075
5590.0000 36 0 -88.19175 1.23123 1.68367 -87.84342 286.30962
5595.0000 36 0 -87.82704 1.33220 1.69287 -87.74310 293.76909
5600.0000 36 0 -87.68311 1.32929 1.69614 -87.70750 304.85625
5605.0000 36 0 -87.62446 1.33350 1.68939 -87.78100 292.21787
5610.0000 36 0 -87.75230 1.34580 1.69198 -87.75285 292.20271
5615.0000 36 0 -87.63128 1.43556 1.68616 -87.81624 288.34776
5620.0000 36 0 -87.93035 1.18504 1.69569 -87.71236 297.43221
5625.0000 36 0 -88.11599 1.13559 1.67348 -87.95446 270.68320
5630.0000 36 0 -87.69665 1.61201 1.68863 -87.78930 298.13432
5635.0000 36 0 -87.98948 1.24239 1.67379 -87.95108 277.19969
5640.0000 36 0 -87.13183 1.49118 1.70978 -87.55869 315.72609
5645.0000 36 0 -87.88919 1.33766 1.73314 -87.30405 342.79961
5650.0000 36 0 -87.44199 1.34965 1.67567 -87.93063 278.99944
5655.0000 36 0 -87.50444 1.67045 1.70408 -87.62084 311.09802
5660.0000 36 0 -87.73860 1.27709 1.69962 -87.66953 309.41860
5665.0000 36 0 -87.91433 1.13994 1.66361 -88.06210 272.07963
5670.0000 36 0 -87.98345 1.22970 1.67130 -87.97832 274.17055
5675.0000 36 0 -87.87190 1.26751 1.68713 -87.80567 294.43901
5680.0000 36 0 -87.16774 1.71258 1.73217 -87.31466 339.40295
5685.0000 36 0 -87.21171 1.69749 1.74427 -87.18276 356.11784
5690.0000 36 0 -87.22424 1.59712 1.73762 -87.25525 352.48066
5695.0000 36 0 -87.70347 1.56043 1.71516 -87.50014 321.56680
5700.0000 36 0 -87.42427 1.66078 1.71174 -87.53736 322.05233
5705.0000 36 0 -87.88805 1.49647 1.70142 -87.64984 302.04290
5710.0000 36 0 -87.18410 1.95258 1.70038 -87.66127 301.44027
5715.0000 36 0 -87.65650 1.42894 1.72705 -87.37049 334.63540
5720.0000 36 0 -87.73253 1.27253 1.69613 -87.70757 296.02693
5725.0000 36 0 -87.95032 1.06991 1.69533 -87.71626 302.20594
5730.0000 36 0 -87.52619 1.32098 1.69118 -87.76152 294.29595
5735.0000 36 0 -87.98729 1.26350 1.69491 -87.72089 298.30903
5740.0000 36 0 -87.47840 1.37438 1.68584 -87.81973 295.47000
5745.0000 36 0 -87.56607 1.19460 1.70747 -87.58389 318.95269
5750.0000 36 0 -87.24551 1.71388 1.71877 -87.46077 330.74811
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65458 0.81020 0.86141
force_rgl> df(natom) 0.00000 0.00000 0.00000
5755.0000 37 0 -87.06916 1.96318 1.97536 -87.21620 368.88662
5760.0000 37 0 -88.59767 1.97106 1.89869 -88.06756 440.89146
5765.0000 37 0 -89.50047 1.29248 1.80476 -89.11044 373.42424
5770.0000 37 0 -89.72491 1.62864 1.76776 -89.52129 334.75097
5775.0000 37 0 -89.53703 1.76419 1.76882 -89.50954 342.29067
5780.0000 37 0 -89.70610 1.39786 1.76014 -89.60588 331.67493
5785.0000 37 0 -89.54860 1.55583 1.75994 -89.60817 326.64701
5790.0000 37 0 -89.74601 1.32919 1.75376 -89.67678 320.10189
5795.0000 37 0 -89.52664 1.60810 1.76817 -89.51674 332.67397
5800.0000 37 0 -89.78526 1.25495 1.76656 -89.53459 325.36930
5805.0000 37 0 -89.10167 1.99435 1.77123 -89.48281 338.17707
5810.0000 37 0 -89.85372 1.28534 1.74756 -89.74567 302.20343
5815.0000 37 0 -90.06071 1.10043 1.72016 -90.04990 265.03868
5820.0000 37 0 -89.49038 1.30505 1.74392 -89.78600 292.79902
5825.0000 37 0 -90.10447 1.14921 1.73656 -89.86776 289.02828
5830.0000 37 0 -90.06294 1.29779 1.72501 -89.99601 290.65584
5835.0000 37 0 -90.35816 1.21073 1.70542 -90.21350 265.87849
5840.0000 37 0 -90.25223 1.31472 1.70046 -90.26864 264.51901
5845.0000 37 0 -89.84770 1.45690 1.72849 -89.95740 296.57101
5850.0000 37 0 -89.70009 1.29279 1.74733 -89.74822 342.48186
5855.0000 37 0 -89.98614 1.46124 1.73215 -89.91673 308.58279
5860.0000 37 0 -90.12785 1.50965 1.71852 -90.06805 322.98140
5865.0000 37 0 -90.10907 1.35050 1.72162 -90.03361 327.78042
5870.0000 37 0 -90.16561 1.25687 1.71527 -90.10417 320.02040
5875.0000 37 0 -90.02521 1.73969 1.70931 -90.17028 314.51960
5880.0000 37 0 -90.31615 1.23902 1.69890 -90.28589 307.48807
5885.0000 37 0 -90.54436 1.33725 1.67944 -90.50195 283.11555
5890.0000 37 0 -90.51091 1.40024 1.68247 -90.46837 289.96871
5895.0000 37 0 -90.20981 1.19485 1.69215 -90.36090 305.92027
5900.0000 37 0 -90.26984 1.33149 1.69713 -90.30561 303.26779
5905.0000 37 0 -90.55868 1.34343 1.69094 -90.37430 296.63494
5910.0000 37 0 -90.30550 1.41381 1.67827 -90.51494 279.17220
5915.0000 37 0 -90.49351 1.26455 1.70999 -90.16274 318.40181
5920.0000 37 0 -90.78972 1.23169 1.68463 -90.44442 291.32377
5925.0000 37 0 -90.37039 1.43467 1.67846 -90.51291 280.76111
5930.0000 37 0 -90.14857 1.29133 1.70505 -90.21759 294.61347
5935.0000 37 0 -89.39082 2.09418 1.73840 -89.84732 339.16253
5940.0000 37 0 -90.22645 1.32790 1.72642 -89.98036 332.46762
5945.0000 37 0 -90.29076 1.35345 1.70160 -90.25594 302.21089
5950.0000 37 0 -90.62258 1.30286 1.69223 -90.36000 297.15467
5955.0000 37 0 -90.25282 1.39422 1.69747 -90.30176 301.73867
5960.0000 37 0 -90.27199 1.53318 1.70090 -90.26375 309.06725
5965.0000 37 0 -90.29744 1.40995 1.70445 -90.22433 310.24099
5970.0000 37 0 -90.14652 1.36632 1.71235 -90.13653 318.42218
5975.0000 37 0 -90.34805 1.59437 1.69604 -90.31772 304.06285
5980.0000 37 0 -90.44500 1.23919 1.68820 -90.40469 291.81863
5985.0000 37 0 -90.54740 1.15453 1.67262 -90.57776 272.73753
5990.0000 37 0 -90.45112 1.41259 1.70006 -90.27308 304.27824
5995.0000 37 0 -90.43278 1.69870 1.69083 -90.37551 291.58752
6000.0000 37 0 -90.45593 1.32875 1.68454 -90.44537 283.08494
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38401 0.46203 -1.19871
force_rgl> df(natom) 0.00000 0.00000 0.00000
6005.0000 38 0 -90.62099 2.66463 1.90604 -90.55631 279.73766
6010.0000 38 0 -91.41633 1.93303 1.86464 -91.02416 445.23450
6015.0000 38 0 -91.93426 1.67457 1.77203 -92.07097 352.77804
6020.0000 38 0 -92.05227 1.68819 1.77943 -91.98735 354.48063
6025.0000 38 0 -92.35885 1.56001 1.73107 -92.53388 319.97557
6030.0000 38 0 -92.71932 1.75293 1.73222 -92.52087 330.86359
6035.0000 38 0 -92.64021 1.52551 1.71022 -92.76955 300.06431
6040.0000 38 0 -92.91749 1.40581 1.70910 -92.78230 296.35676
6045.0000 38 0 -92.27982 1.83511 1.73503 -92.48913 326.99818
6050.0000 38 0 -92.33474 1.49530 1.74591 -92.36623 344.92187
6055.0000 38 0 -92.74545 1.46638 1.74551 -92.37072 343.06291
6060.0000 38 0 -92.84748 1.50527 1.69228 -92.97239 282.68846
6065.0000 38 0 -92.52625 1.44168 1.71583 -92.70617 299.28295
6070.0000 38 0 -93.04591 1.36651 1.70449 -92.83441 280.82259
6075.0000 38 0 -92.73430 1.32201 1.69450 -92.94727 273.38486
6080.0000 38 0 -93.12462 1.21859 1.69003 -92.99782 270.69822
6085.0000 38 0 -93.13979 1.27196 1.68594 -93.04400 267.67871
6090.0000 38 0 -92.46617 1.82414 1.70027 -92.88204 283.01331
6095.0000 38 0 -92.69173 1.52253 1.71828 -92.67852 303.32791
6100.0000 38 0 -93.03341 1.37508 1.70492 -92.82949 287.71874
6105.0000 38 0 -92.71567 1.07334 1.70766 -92.79856 291.66797
6110.0000 38 0 -92.37188 1.56109 1.74147 -92.41641 332.76728
6115.0000 38 0 -92.07538 2.01911 1.75255 -92.29110 348.47019
6120.0000 38 0 -92.09665 1.48613 1.77577 -92.02864 364.85159
6125.0000 38 0 -92.35091 1.67954 1.76142 -92.19092 349.27388
6130.0000 38 0 -91.84244 1.67905 1.77183 -92.07326 360.48081
6135.0000 38 0 -92.55688 1.59628 1.75288 -92.28745 335.41014
6140.0000 38 0 -92.61756 1.44442 1.72455 -92.60763 312.09934
6145.0000 38 0 -92.20296 1.78265 1.73465 -92.49344 314.84260
6150.0000 38 0 -92.24713 1.76625 1.75883 -92.22020 327.34458
6155.0000 38 0 -92.32893 1.65074 1.74714 -92.35225 330.54286
6160.0000 38 0 -92.46855 1.36306 1.72640 -92.58670 306.22347
6165.0000 38 0 -92.75160 1.34042 1.72234 -92.63260 303.67828
6170.0000 38 0 -92.98350 1.40915 1.69786 -92.90930 296.93030
6175.0000 38 0 -92.85177 1.25015 1.71333 -92.73445 311.06118
6180.0000 38 0 -92.63075 1.54318 1.71637 -92.70012 312.31718
6185.0000 38 0 -92.82581 1.61478 1.71224 -92.74679 308.00488
6190.0000 38 0 -92.56041 1.58823 1.71915 -92.66870 318.30594
6195.0000 38 0 -92.51245 1.73790 1.71737 -92.68882 317.88215
6200.0000 38 0 -92.15426 1.65753 1.73150 -92.52907 327.13357
6205.0000 38 0 -92.67091 1.61148 1.72793 -92.56944 314.43160
6210.0000 38 0 -92.47405 1.49941 1.72265 -92.62910 303.96484
6215.0000 38 0 -91.82010 2.07214 1.76067 -92.19938 355.14067
6220.0000 38 0 -92.46117 1.45321 1.75536 -92.25936 337.40589
6225.0000 38 0 -92.33171 1.65243 1.73277 -92.51476 313.10223
6230.0000 38 0 -92.90582 1.33841 1.72582 -92.59326 310.83302
6235.0000 38 0 -92.66289 1.54343 1.72224 -92.63368 308.44770
6240.0000 38 0 -92.79180 1.40846 1.70129 -92.87057 289.44012
6245.0000 38 0 -92.56241 1.38842 1.71990 -92.66018 297.23054
6250.0000 38 0 -92.55730 1.30537 1.74365 -92.39172 325.87530
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36170 4.09268 0.15376
force_rgl> df(natom) 0.00000 0.00000 0.00000
6255.0000 39 0 -92.20512 2.74548 1.96531 -92.44828 334.42475
6260.0000 39 0 -94.43162 1.96756 1.86520 -93.59957 454.74367
6265.0000 39 0 -95.26933 1.55184 1.74827 -94.94434 341.55850
6270.0000 39 0 -94.96097 1.58407 1.73322 -95.11747 317.72964
6275.0000 39 0 -94.69014 1.77626 1.76219 -94.78431 332.58856
6280.0000 39 0 -95.22239 1.69958 1.73619 -95.08331 325.52102
6285.0000 39 0 -95.51368 1.64496 1.70388 -95.45483 287.42599
6290.0000 39 0 -95.65105 1.22451 1.68767 -95.64132 269.92160
6295.0000 39 0 -95.77711 1.23123 1.68452 -95.67744 275.17352
6300.0000 39 0 -95.64732 1.40246 1.70735 -95.41491 293.42387
6305.0000 39 0 -95.26595 1.83140 1.70923 -95.39327 303.16638
6310.0000 39 0 -95.26152 1.10129 1.72293 -95.23576 314.02904
6315.0000 39 0 -95.66305 1.47570 1.70958 -95.38933 317.16352
6320.0000 39 0 -95.76170 1.27437 1.68963 -95.61874 301.87882
6325.0000 39 0 -95.77854 1.42745 1.66259 -95.92975 273.68939
6330.0000 39 0 -95.47146 1.48963 1.71032 -95.38077 333.40595
6335.0000 39 0 -95.52644 1.45863 1.70084 -95.48981 315.31433
6340.0000 39 0 -95.92380 1.22222 1.67684 -95.76586 286.95347
6345.0000 39 0 -95.58247 1.70423 1.68201 -95.70638 298.96282
6350.0000 39 0 -95.26827 1.48937 1.71955 -95.27461 335.91757
6355.0000 39 0 -95.82049 1.44185 1.68558 -95.66524 295.49211
6360.0000 39 0 -96.26121 1.15938 1.66023 -95.95679 277.95459
6365.0000 39 0 -95.90614 1.35635 1.66212 -95.93505 273.76734
6370.0000 39 0 -95.12603 1.82469 1.69374 -95.57148 303.10590
6375.0000 39 0 -95.79717 1.49031 1.70141 -95.48329 316.43968
6380.0000 39 0 -96.10266 1.38056 1.65872 -95.97415 269.02503
6385.0000 39 0 -95.55432 1.60430 1.67601 -95.77530 294.13108
6390.0000 39 0 -95.70455 1.78312 1.68813 -95.63602 310.23584
6395.0000 39 0 -95.41764 1.67106 1.71057 -95.37793 331.13145
6400.0000 39 0 -95.17453 1.61626 1.71822 -95.28993 342.05712
6405.0000 39 0 -95.41503 1.45219 1.70024 -95.49665 314.86806
6410.0000 39 0 -95.89281 1.48236 1.69286 -95.58155 316.02863
6415.0000 39 0 -95.84992 1.43189 1.66242 -95.93167 283.69304
6420.0000 39 0 -96.14959 1.27881 1.64766 -96.10134 255.62793
6425.0000 39 0 -95.81100 1.34991 1.66477 -95.90465 277.30201
6430.0000 39 0 -95.90465 1.23602 1.65970 -95.96296 266.43203
6435.0000 39 0 -95.74909 1.40609 1.68364 -95.68764 301.34973
6440.0000 39 0 -95.30068 1.34969 1.69590 -95.54658 314.16165
6445.0000 39 0 -95.15601 1.55739 1.70509 -95.44097 320.66131
6450.0000 39 0 -95.81420 1.41291 1.70977 -95.38707 323.63362
6455.0000 39 0 -95.78872 1.40900 1.67095 -95.83353 282.07696
6460.0000 39 0 -95.75909 1.28058 1.66404 -95.91305 278.95385
6465.0000 39 0 -95.35724 1.63036 1.70161 -95.48096 317.30524
6470.0000 39 0 -95.23781 1.83610 1.72715 -95.18725 346.09147
6475.0000 39 0 -95.67678 1.28945 1.68860 -95.63058 303.56246
6480.0000 39 0 -96.13254 1.15200 1.67724 -95.76126 293.25854
6485.0000 39 0 -95.72237 1.52776 1.66553 -95.89586 279.20819
6490.0000 39 0 -95.56306 1.58944 1.68612 -95.65912 302.52077
6495.0000 39 0 -96.06182 1.40113 1.66313 -95.92353 272.72778
6500.0000 39 0 -95.57123 1.67080 1.67015 -95.84270 281.20735
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06573 -2.50790 2.31403
force_rgl> df(natom) 0.00000 0.00000 0.00000
6505.0000 40 0 -95.45323 2.74850 1.92509 -95.48404 324.85285
6510.0000 40 0 -97.39500 1.58445 1.83426 -96.54635 424.66668
6515.0000 40 0 -97.91689 1.47420 1.71756 -97.91134 320.10637
6520.0000 40 0 -97.49065 1.77231 1.73495 -97.70795 335.70219
6525.0000 40 0 -97.61119 1.82861 1.74827 -97.55217 343.30649
6530.0000 40 0 -97.84140 1.56059 1.72874 -97.78050 329.62800
6535.0000 40 0 -98.23483 1.54953 1.71986 -97.88442 327.50328
6540.0000 40 0 -97.63039 1.59348 1.71426 -97.94993 310.34212
6545.0000 40 0 -97.60822 1.84954 1.73960 -97.65347 323.81372
6550.0000 40 0 -97.97255 1.30761 1.73548 -97.70167 331.12890
6555.0000 40 0 -97.90855 1.59646 1.70824 -98.02027 305.97298
6560.0000 40 0 -97.81685 1.62452 1.75449 -97.47930 361.24539
6565.0000 40 0 -97.88372 1.45224 1.70821 -98.02071 308.70239
6570.0000 40 0 -98.15953 1.56940 1.70999 -97.99981 310.10181
6575.0000 40 0 -98.25253 1.46329 1.68482 -98.29424 286.95001
6580.0000 40 0 -98.13400 1.49082 1.69083 -98.22388 289.69936
6585.0000 40 0 -98.47844 1.30233 1.67597 -98.39769 266.39325
6590.0000 40 0 -97.82780 1.70019 1.69750 -98.14597 288.59567
6595.0000 40 0 -98.00736 1.56248 1.71320 -97.96229 310.85420
6600.0000 40 0 -98.42762 1.16496 1.69570 -98.16697 291.75018
6605.0000 40 0 -98.23232 1.54852 1.68535 -98.28799 282.04053
6610.0000 40 0 -98.14427 1.52719 1.69628 -98.16015 296.32735
6615.0000 40 0 -97.32029 1.85304 1.74273 -97.61693 347.25133
6620.0000 40 0 -97.54867 1.59066 1.74958 -97.53675 351.27191
6625.0000 40 0 -97.74521 2.08968 1.73270 -97.73420 330.70595
6630.0000 40 0 -97.64186 1.59924 1.71373 -97.95614 318.58197
6635.0000 40 0 -97.47212 2.12837 1.75162 -97.51289 357.60414
6640.0000 40 0 -97.67194 1.57428 1.74138 -97.63267 343.08019
6645.0000 40 0 -98.42588 1.24826 1.71723 -97.91513 320.57929
6650.0000 40 0 -98.04919 1.68137 1.70020 -98.11429 296.63421
6655.0000 40 0 -98.26203 1.61846 1.70651 -98.04053 309.14338
6660.0000 40 0 -98.00086 1.46688 1.69710 -98.15055 298.43344
6665.0000 40 0 -97.65141 1.61397 1.72569 -97.81623 306.65919
6670.0000 40 0 -98.06130 1.62365 1.74319 -97.61152 341.04862
6675.0000 40 0 -97.64671 1.42702 1.71155 -97.98165 302.27848
6680.0000 40 0 -97.74497 1.78680 1.74832 -97.55152 335.02825
6685.0000 40 0 -98.13301 1.66320 1.70425 -98.06698 296.32798
6690.0000 40 0 -98.08315 1.49265 1.69521 -98.17269 299.57609
6695.0000 40 0 -98.44716 1.20612 1.68766 -98.26105 283.82595
6700.0000 40 0 -98.06725 1.40167 1.69808 -98.13918 292.55440
6705.0000 40 0 -98.12083 1.26898 1.70652 -98.04038 283.94570
6710.0000 40 0 -98.15115 1.43595 1.69464 -98.17942 267.06686
6715.0000 40 0 -97.80987 1.29043 1.72324 -97.84481 276.38679
6720.0000 40 0 -97.60344 1.46897 1.73535 -97.70320 280.98813
6725.0000 40 0 -97.63665 1.71237 1.72790 -97.79033 287.69214
6730.0000 40 0 -97.60466 1.97921 1.72608 -97.81159 305.41539
6735.0000 40 0 -97.90544 1.33139 1.72808 -97.78829 309.57062
6740.0000 40 0 -98.04757 1.49415 1.71342 -97.95974 298.13108
6745.0000 40 0 -97.74888 1.53168 1.72069 -97.87474 310.88677
6750.0000 40 0 -97.91088 1.47027 1.72039 -97.87815 314.41853
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25442 -1.65557 1.74728
force_rgl> df(natom) 0.00000 0.00000 0.00000
6755.0000 41 0 -97.67427 2.20758 1.93569 -97.93430 318.98458
6760.0000 41 0 -98.89117 2.15256 1.89896 -98.37098 476.67865
6765.0000 41 0 -99.93283 1.89089 1.79325 -99.62788 401.98917
6770.0000 41 0 -100.58527 1.88680 1.73322 -100.34166 349.19066
6775.0000 41 0 -100.39281 1.97291 1.71602 -100.54614 317.49952
6780.0000 41 0 -100.15701 1.72466 1.72762 -100.40826 338.34497
6785.0000 41 0 -100.28923 1.87546 1.74953 -100.14773 347.33349
6790.0000 41 0 -100.28742 1.60281 1.73780 -100.28721 330.40945
6795.0000 41 0 -100.83864 1.68567 1.71002 -100.61752 324.07822
6800.0000 41 0 -100.66693 1.76875 1.68699 -100.89135 300.43566
6805.0000 41 0 -101.04089 1.52608 1.66997 -101.09367 280.71942
6810.0000 41 0 -101.62141 1.15036 1.63310 -101.53217 244.43258
6815.0000 41 0 -100.59613 1.89975 1.65295 -101.29611 266.87661
6820.0000 41 0 -100.67325 1.61037 1.68989 -100.85692 303.31624
6825.0000 41 0 -100.79047 1.65842 1.70128 -100.72150 315.42392
6830.0000 41 0 -100.72894 1.69490 1.69332 -100.81603 306.81960
6835.0000 41 0 -100.50065 1.91732 1.70851 -100.63545 324.30000
6840.0000 41 0 -100.84223 1.49986 1.69657 -100.77739 308.64939
6845.0000 41 0 -100.98332 1.70008 1.68573 -100.90633 300.61442
6850.0000 41 0 -101.07854 1.29559 1.70255 -100.70638 326.88232
6855.0000 41 0 -100.65022 1.33933 1.69687 -100.77389 310.53775
6860.0000 41 0 -100.74160 1.82035 1.69832 -100.75664 310.81128
6865.0000 41 0 -100.34913 1.98762 1.70258 -100.70600 319.04452
6870.0000 41 0 -100.89679 1.55850 1.69925 -100.74555 312.01560
6875.0000 41 0 -100.75185 1.54469 1.70575 -100.66831 322.96941
6880.0000 41 0 -100.08351 1.72249 1.71940 -100.50599 335.36030
6885.0000 41 0 -100.51897 1.61731 1.75362 -100.09910 382.36489
6890.0000 41 0 -100.75398 1.55844 1.72011 -100.49753 338.12257
6895.0000 41 0 -100.96847 1.49558 1.69039 -100.85092 306.43246
6900.0000 41 0 -101.25277 1.41538 1.65986 -101.21397 270.97015
6905.0000 41 0 -100.96070 1.43668 1.68596 -100.90359 295.36003
6910.0000 41 0 -101.30697 1.33560 1.68581 -100.90536 302.01302
6915.0000 41 0 -100.97710 1.55963 1.67046 -101.08785 281.54084
6920.0000 41 0 -100.68336 1.56205 1.67876 -100.98925 292.42174
6925.0000 41 0 -100.56257 1.69492 1.71775 -100.52555 326.46752
6930.0000 41 0 -100.79251 1.72829 1.69906 -100.74784 291.85487
6935.0000 41 0 -101.11755 1.34824 1.68859 -100.87236 277.35993
6940.0000 41 0 -100.66045 1.75867 1.70158 -100.71788 294.83029
6945.0000 41 0 -100.57277 1.65240 1.70020 -100.73430 286.55828
6950.0000 41 0 -100.71028 1.56954 1.71039 -100.61316 297.72686
6955.0000 41 0 -100.59364 1.71198 1.70407 -100.68829 292.98532
6960.0000 41 0 -100.83919 1.45717 1.68657 -100.89636 284.35593
6965.0000 41 0 -100.34444 1.70737 1.71548 -100.55257 315.32619
6970.0000 41 0 -100.09362 1.75776 1.73535 -100.31638 330.92512
6975.0000 41 0 -100.74501 1.61979 1.71885 -100.51258 316.16463
6980.0000 41 0 -100.90836 1.62291 1.69433 -100.80412 291.60224
6985.0000 41 0 -101.34714 1.35774 1.66752 -101.12285 278.75320
6990.0000 41 0 -101.10981 1.42274 1.67788 -100.99972 291.11736
6995.0000 41 0 -101.26731 1.35789 1.67193 -101.07039 283.34460
7000.0000 41 0 -101.08582 1.49289 1.68486 -100.91671 298.26025
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05296 1.10132 -0.06996
force_rgl> df(natom) 0.00000 0.00000 0.00000
7005.0000 42 0 -101.06269 2.68993 1.89266 -101.03139 296.33445
7010.0000 42 0 -102.08555 2.46482 1.85693 -101.46321 449.56554
7015.0000 42 0 -103.23384 1.39911 1.77945 -102.39930 374.64762
7020.0000 42 0 -103.43290 1.35783 1.70288 -103.32445 290.89068
7025.0000 42 0 -103.45277 1.53637 1.69990 -103.36051 291.80605
7030.0000 42 0 -102.67603 1.90221 1.72532 -103.05342 316.06687
7035.0000 42 0 -102.90310 1.67513 1.74965 -102.75942 349.46787
7040.0000 42 0 -103.36909 1.52802 1.73774 -102.90327 341.59811
7045.0000 42 0 -103.42198 1.63756 1.70133 -103.34319 297.78029
7050.0000 42 0 -103.31563 1.62008 1.69855 -103.37685 297.90196
7055.0000 42 0 -103.38668 1.57201 1.69115 -103.46627 288.58655
7060.0000 42 0 -103.35707 1.40931 1.70327 -103.31983 296.80397
7065.0000 42 0 -103.35126 1.66642 1.69591 -103.40867 291.92448
7070.0000 42 0 -103.71798 1.41198 1.70051 -103.35309 294.17642
7075.0000 42 0 -103.38733 1.68053 1.69561 -103.41240 293.98325
7080.0000 42 0 -102.85709 1.84113 1.70790 -103.26383 306.46042
7085.0000 42 0 -103.17504 1.50258 1.72021 -103.11517 314.06429
7090.0000 42 0 -103.42647 1.38464 1.70856 -103.25587 296.46452
7095.0000 42 0 -103.62699 1.39629 1.68149 -103.58293 280.28737
7100.0000 42 0 -103.54839 1.70519 1.67911 -103.61169 275.68633
7105.0000 42 0 -103.13140 1.55333 1.70203 -103.33481 298.02443
7110.0000 42 0 -102.82882 2.00488 1.71923 -103.12698 319.32751
7115.0000 42 0 -102.86611 1.68029 1.74528 -102.81226 339.67659
7120.0000 42 0 -103.29730 1.52407 1.72113 -103.10400 305.81410
7125.0000 42 0 -103.52587 1.44291 1.69733 -103.39157 281.23380
7130.0000 42 0 -103.40531 1.60595 1.69950 -103.36540 285.57210
7135.0000 42 0 -103.37611 1.73564 1.69378 -103.43441 277.84474
7140.0000 42 0 -103.02591 1.73974 1.73194 -102.97340 332.69884
7145.0000 42 0 -103.63500 1.46243 1.70412 -103.30950 307.58463
7150.0000 42 0 -103.22903 1.58508 1.69441 -103.42679 291.02524
7155.0000 42 0 -103.51492 1.59653 1.69994 -103.36008 289.86191
7160.0000 42 0 -103.28662 1.52736 1.70004 -103.35885 296.34323
7165.0000 42 0 -103.18562 1.68083 1.69894 -103.37216 292.00045
7170.0000 42 0 -103.35941 1.70580 1.70650 -103.28074 311.91220
7175.0000 42 0 -103.65745 1.57768 1.69949 -103.36553 298.72238
7180.0000 42 0 -103.56095 1.48992 1.66250 -103.81239 257.74680
7185.0000 42 0 -102.92496 1.74318 1.70960 -103.24327 308.36536
7190.0000 42 0 -103.41489 1.85897 1.71878 -103.13241 312.87882
7195.0000 42 0 -103.77592 1.34427 1.68976 -103.48303 287.39796
7200.0000 42 0 -103.04007 1.89689 1.69327 -103.44059 291.80995
7205.0000 42 0 -103.14040 1.81834 1.71241 -103.20938 309.53904
7210.0000 42 0 -103.18038 1.67581 1.71378 -103.19281 310.38098
7215.0000 42 0 -103.42862 1.39644 1.70267 -103.32710 303.91512
7220.0000 42 0 -103.63316 1.46846 1.68192 -103.57775 277.41123
7225.0000 42 0 -103.30465 1.67828 1.68057 -103.59407 277.38295
7230.0000 42 0 -103.38453 1.64369 1.70322 -103.32042 305.82582
7235.0000 42 0 -103.30234 1.63402 1.69072 -103.47149 274.16663
7240.0000 42 0 -103.23040 1.55912 1.71740 -103.14911 307.70593
7245.0000 42 0 -103.42657 1.40033 1.68710 -103.51517 284.07396
7250.0000 42 0 -103.36911 1.29772 1.71900 -103.12978 308.62697
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21514 -1.96999 2.39080
force_rgl> df(natom) 0.00000 0.00000 0.00000
7255.0000 43 0 -103.15127 2.51969 1.93422 -103.10979 318.65774
7260.0000 43 0 -104.79491 2.04797 1.84475 -104.20792 394.04094
7265.0000 43 0 -105.12726 1.41852 1.78850 -104.89831 331.85560
7270.0000 43 0 -104.97129 1.70319 1.77858 -105.02006 326.13627
7275.0000 43 0 -105.63451 1.75043 1.76446 -105.19343 336.64475
7280.0000 43 0 -106.03470 1.74657 1.70213 -105.95842 288.49249
7285.0000 43 0 -105.69682 1.58782 1.69995 -105.98510 293.78156
7290.0000 43 0 -105.48461 1.51158 1.73898 -105.50606 321.33975
7295.0000 43 0 -105.93130 1.67265 1.71823 -105.76082 298.25296
7300.0000 43 0 -105.72867 1.74798 1.70959 -105.86689 290.73104
7305.0000 43 0 -105.36723 1.71925 1.71648 -105.78233 296.57749
7310.0000 43 0 -104.56532 1.89841 1.77729 -105.03594 348.00715
7315.0000 43 0 -105.02398 2.01348 1.79735 -104.78964 362.34039
7320.0000 43 0 -105.23703 1.79307 1.75632 -105.29333 337.12627
7325.0000 43 0 -105.64039 1.82108 1.72968 -105.62020 311.72476
7330.0000 43 0 -105.58904 1.78506 1.70833 -105.88231 288.73948
7335.0000 43 0 -105.79349 1.60009 1.72416 -105.68798 314.24876
7340.0000 43 0 -105.95643 1.29253 1.72367 -105.69408 307.03236
7345.0000 43 0 -105.50481 1.84663 1.71757 -105.76892 303.11140
7350.0000 43 0 -105.61081 2.00878 1.75869 -105.26414 349.83484
7355.0000 43 0 -105.32945 2.16122 1.71915 -105.74945 305.88542
7360.0000 43 0 -105.34132 1.87984 1.76757 -105.15515 356.10051
7365.0000 43 0 -105.87548 1.65545 1.71897 -105.75176 306.35946
7370.0000 43 0 -105.77290 1.65835 1.70662 -105.90333 292.15877
7375.0000 43 0 -105.99404 1.41983 1.70860 -105.87904 287.20819
7380.0000 43 0 -105.79978 1.58204 1.70781 -105.88871 293.96977
7385.0000 43 0 -104.93221 2.01417 1.74383 -105.44661 334.55539
7390.0000 43 0 -105.22311 1.79100 1.76284 -105.21328 352.56547
7395.0000 43 0 -105.72622 1.49391 1.74519 -105.42986 337.43199
7400.0000 43 0 -105.72464 1.80057 1.70908 -105.87305 296.29230
7405.0000 43 0 -105.93090 1.74447 1.70432 -105.93146 292.41716
7410.0000 43 0 -106.09867 1.42681 1.69007 -106.10637 273.62424
7415.0000 43 0 -105.98039 1.47346 1.69106 -106.09430 276.17338
7420.0000 43 0 -106.06918 1.58141 1.70659 -105.90371 296.39186
7425.0000 43 0 -106.03069 1.60038 1.69419 -106.05580 279.92917
7430.0000 43 0 -105.97129 1.67654 1.71154 -105.84290 303.54777
7435.0000 43 0 -105.83809 1.51496 1.71516 -105.79848 311.41122
7440.0000 43 0 -105.78536 1.48320 1.73079 -105.60669 311.41215
7445.0000 43 0 -105.40050 1.69966 1.74158 -105.47415 323.31572
7450.0000 43 0 -105.73678 1.63735 1.71767 -105.76769 295.70726
7455.0000 43 0 -105.64682 1.76887 1.72527 -105.67443 310.91818
7460.0000 43 0 -106.13340 1.65917 1.72919 -105.62621 319.76218
7465.0000 43 0 -105.32224 1.80107 1.71685 -105.77774 316.49117
7470.0000 43 0 -105.40239 1.45173 1.74198 -105.46934 332.93594
7475.0000 43 0 -106.25424 1.48005 1.71788 -105.76511 304.96577
7480.0000 43 0 -106.26182 1.36888 1.68645 -106.15082 277.68737
7485.0000 43 0 -105.71987 1.74838 1.70928 -105.87059 296.29513
7490.0000 43 0 -106.08216 1.61544 1.71436 -105.80830 300.84951
7495.0000 43 0 -106.26867 1.52014 1.68305 -106.19258 268.62369
7500.0000 43 0 -106.06732 1.57527 1.67951 -106.23609 270.80660
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04834 1.22197 1.75852
force_rgl> df(natom) 0.00000 0.00000 0.00000
7505.0000 44 0 -106.02785 2.43454 1.90448 -106.06373 299.55812
7510.0000 44 0 -107.59437 1.70271 1.83639 -106.91237 396.16414
7515.0000 44 0 -107.71392 2.12033 1.76139 -107.84714 301.75194
7520.0000 44 0 -107.70374 1.68795 1.77052 -107.73336 318.60643
7525.0000 44 0 -107.72904 1.47172 1.77939 -107.62281 326.57185
7530.0000 44 0 -108.00331 1.51054 1.74942 -107.99629 286.36296
7535.0000 44 0 -107.83215 1.72811 1.78855 -107.50872 329.06543
7540.0000 44 0 -107.61241 1.84079 1.76906 -107.75152 314.02926
7545.0000 44 0 -107.80675 1.69291 1.76589 -107.79102 308.25089
7550.0000 44 0 -107.80392 1.84078 1.76177 -107.84248 301.92385
7555.0000 44 0 -107.44854 2.14049 1.77507 -107.67661 314.45100
7560.0000 44 0 -107.72683 1.59228 1.77875 -107.63075 320.00814
7565.0000 44 0 -108.05809 1.50401 1.74638 -108.03429 289.47781
7570.0000 44 0 -108.04588 1.58343 1.74062 -108.10602 277.71715
7575.0000 44 0 -108.15733 1.64775 1.74332 -108.07239 284.85458
7580.0000 44 0 -107.92409 1.77609 1.74879 -108.00420 287.87885
7585.0000 44 0 -107.79916 1.70074 1.75749 -107.89572 304.66756
7590.0000 44 0 -107.42464 1.81880 1.78816 -107.51351 325.90326
7595.0000 44 0 -108.12406 1.42845 1.77159 -107.72003 309.27271
7600.0000 44 0 -108.32837 1.18491 1.73895 -108.12678 277.27768
7605.0000 44 0 -107.70992 1.87886 1.73708 -108.15019 285.20664
7610.0000 44 0 -107.85884 1.81189 1.74394 -108.06460 294.20411
7615.0000 44 0 -108.03992 1.77322 1.74928 -107.99809 323.37909
7620.0000 44 0 -108.47429 1.47038 1.73219 -108.21111 304.00738
7625.0000 44 0 -108.18226 1.69701 1.71770 -108.39172 292.36353
7630.0000 44 0 -108.43937 1.64174 1.72528 -108.29724 300.32647
7635.0000 44 0 -108.32558 1.82032 1.73428 -108.18508 309.62295
7640.0000 44 0 -108.12965 1.56118 1.72973 -108.24180 306.61486
7645.0000 44 0 -107.98104 1.88174 1.75910 -107.87575 334.63500
7650.0000 44 0 -107.72528 1.62349 1.77235 -107.71059 336.28955
7655.0000 44 0 -108.41533 1.49495 1.74623 -108.03606 301.61194
7660.0000 44 0 -107.80267 1.84837 1.73823 -108.13577 288.71294
7665.0000 44 0 -108.04619 1.66991 1.75698 -107.90214 311.68154
7670.0000 44 0 -108.23220 1.96867 1.73412 -108.18700 295.89615
7675.0000 44 0 -108.20521 1.61275 1.72846 -108.25760 300.91903
7680.0000 44 0 -107.98011 1.97527 1.73348 -108.19506 313.27273
7685.0000 44 0 -108.11825 2.04089 1.75395 -107.93988 329.46359
7690.0000 44 0 -107.97184 1.60668 1.75754 -107.89512 338.43794
7695.0000 44 0 -108.70208 1.81195 1.73014 -108.23666 307.70537
7700.0000 44 0 -108.49482 1.56938 1.69723 -108.64686 273.74122
7705.0000 44 0 -108.11366 1.90951 1.73494 -108.17683 314.79350
7710.0000 44 0 -108.14883 1.70942 1.72698 -108.27599 300.77694
7715.0000 44 0 -108.60171 1.59831 1.72459 -108.30586 298.75768
7720.0000 44 0 -108.30729 1.60681 1.72477 -108.30359 297.35685
7725.0000 44 0 -107.59783 2.32405 1.73369 -108.19243 308.23665
7730.0000 44 0 -108.52758 1.67798 1.72245 -108.33249 300.94183
7735.0000 44 0 -108.44872 1.73957 1.70918 -108.49788 286.83612
7740.0000 44 0 -108.33885 1.58057 1.70773 -108.51597 283.47128
7745.0000 44 0 -108.32694 1.62107 1.72676 -108.27881 301.97742
7750.0000 44 0 -108.32414 1.33799 1.73041 -108.23330 307.17641
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.74808 2.95735 0.81550
force_rgl> df(natom) 0.00000 0.00000 0.00000
7755.0000 45 0 -107.97318 2.87201 1.94066 -108.19773 319.56125
7760.0000 45 0 -109.72272 1.77307 1.88073 -108.95596 392.50381
7765.0000 45 0 -109.80624 1.93624 1.81570 -109.77865 339.67427
7770.0000 45 0 -110.17742 1.97618 1.79172 -110.08203 319.48893
7775.0000 45 0 -110.39737 1.53221 1.78717 -110.13962 315.30120
7780.0000 45 0 -110.31226 1.70692 1.76691 -110.39597 294.76755
7785.0000 45 0 -110.34691 1.85875 1.78542 -110.16181 316.14321
7790.0000 45 0 -110.29061 1.69651 1.77362 -110.31106 300.75507
7795.0000 45 0 -110.37546 1.98091 1.76387 -110.43447 295.42774
7800.0000 45 0 -110.14341 1.95085 1.75399 -110.55943 295.06570
7805.0000 45 0 -111.08306 1.69751 1.75519 -110.54427 340.68971
7810.0000 45 0 -110.94814 1.74552 1.73074 -110.85355 312.92478
7815.0000 45 0 -110.85812 1.57841 1.72359 -110.94396 312.57063
7820.0000 45 0 -110.46274 1.94543 1.73804 -110.76117 322.17956
7825.0000 45 0 -110.35049 2.01640 1.74982 -110.61216 336.23904
7830.0000 45 0 -110.99230 1.87523 1.72715 -110.89898 313.96396
7835.0000 45 0 -111.15676 1.67388 1.69804 -111.26727 292.78508
7840.0000 45 0 -110.94378 1.87806 1.72148 -110.97071 317.39984
7845.0000 45 0 -110.47154 2.11005 1.72667 -110.90509 317.20631
7850.0000 45 0 -110.84879 1.79815 1.74364 -110.69037 334.68643
7855.0000 45 0 -111.17494 1.64185 1.71414 -111.06355 306.12148
7860.0000 45 0 -111.19887 1.73180 1.70314 -111.20277 292.46739
7865.0000 45 0 -110.89503 1.89024 1.70793 -111.14216 298.86015
7870.0000 45 0 -111.01780 1.98326 1.73295 -110.82561 323.60900
7875.0000 45 0 -111.05942 1.64378 1.73988 -110.73797 337.69788
7880.0000 45 0 -110.99896 1.79361 1.70212 -111.21569 298.70895
7885.0000 45 0 -110.80715 1.91827 1.73020 -110.86045 320.14564
7890.0000 45 0 -111.35089 1.35974 1.71357 -111.07085 300.74701
7895.0000 45 0 -111.16245 1.79562 1.70192 -111.21816 284.98167
7900.0000 45 0 -110.64656 1.84501 1.73289 -110.82636 321.52372
7905.0000 45 0 -110.94267 1.57034 1.72958 -110.86823 319.01876
7910.0000 45 0 -111.06310 1.63500 1.71819 -111.01230 312.11173
7915.0000 45 0 -110.47642 2.01679 1.73585 -110.78895 319.56930
7920.0000 45 0 -111.16227 1.58731 1.71839 -111.00985 305.59691
7925.0000 45 0 -110.93403 1.82939 1.70236 -111.21262 288.62143
7930.0000 45 0 -111.28395 1.60749 1.70871 -111.13229 296.98709
7935.0000 45 0 -111.21630 1.72021 1.71263 -111.08267 300.11396
7940.0000 45 0 -110.77183 1.82449 1.72462 -110.93095 314.00462
7945.0000 45 0 -111.20075 1.89514 1.72863 -110.88028 319.99903
7950.0000 45 0 -111.34961 1.56348 1.69975 -111.24567 281.95479
7955.0000 45 0 -111.11197 1.71262 1.72569 -110.91744 305.10750
7960.0000 45 0 -110.94514 1.42299 1.69970 -111.24632 279.18045
7965.0000 45 0 -110.62486 2.08006 1.72391 -110.94000 299.01496
7970.0000 45 0 -111.11564 1.60917 1.73396 -110.81285 317.06604
7975.0000 45 0 -110.79520 1.52718 1.71655 -111.03311 301.81127
7980.0000 45 0 -111.04504 2.02264 1.71310 -111.07672 302.68818
7985.0000 45 0 -110.96047 1.80118 1.72209 -110.96296 309.82226
7990.0000 45 0 -110.59925 2.20325 1.73375 -110.81547 316.82437
7995.0000 45 0 -110.68538 1.61699 1.74740 -110.64277 335.40269
8000.0000 45 0 -111.18368 1.73786 1.72513 -110.92457 307.49238
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47780 -2.08988 -2.76023
force_rgl> df(natom) 0.00000 0.00000 0.00000
8005.0000 46 0 -110.54438 2.93985 1.92825 -110.94465 317.89000
8010.0000 46 0 -112.62451 2.07654 1.87731 -111.59860 443.17605
8015.0000 46 0 -113.52205 1.78603 1.76904 -112.98872 343.03118
8020.0000 46 0 -113.75144 1.67325 1.73505 -113.42505 320.18847
8025.0000 46 0 -113.72404 1.56093 1.71534 -113.67808 298.42934
8030.0000 46 0 -113.85883 1.64062 1.69910 -113.88657 281.89358
8035.0000 46 0 -113.51063 1.75337 1.71827 -113.64043 296.86827
8040.0000 46 0 -113.55222 1.99081 1.75534 -113.16459 330.59866
8045.0000 46 0 -112.80933 2.11515 1.75356 -113.18737 334.22757
8050.0000 46 0 -113.04128 2.19400 1.76920 -112.98663 347.05353
8055.0000 46 0 -113.51661 1.93626 1.74555 -113.29027 325.18592
8060.0000 46 0 -113.10736 1.66259 1.74870 -113.24981 326.87387
8065.0000 46 0 -113.52638 1.88221 1.73960 -113.36659 326.34436
8070.0000 46 0 -113.17703 1.65088 1.73212 -113.46261 320.76205
8075.0000 46 0 -114.07322 1.73177 1.70355 -113.82944 285.73575
8080.0000 46 0 -113.77733 1.91015 1.69956 -113.88066 280.92416
8085.0000 46 0 -113.77166 1.85541 1.69446 -113.94608 277.88882
8090.0000 46 0 -113.40535 1.68373 1.71484 -113.68454 301.56061
8095.0000 46 0 -113.21773 1.94038 1.73635 -113.40835 319.10165
8100.0000 46 0 -113.22718 2.02080 1.75509 -113.16769 337.40174
8105.0000 46 0 -113.10580 2.11203 1.76220 -113.07643 345.01007
8110.0000 46 0 -114.28491 1.43507 1.70870 -113.76335 292.89970
8115.0000 46 0 -114.00919 1.58990 1.67995 -114.13243 259.85192
8120.0000 46 0 -113.59698 1.82892 1.72412 -113.56535 311.19354
8125.0000 46 0 -113.78263 1.84464 1.71544 -113.67674 299.47822
8130.0000 46 0 -113.79118 1.69982 1.69632 -113.92221 278.98721
8135.0000 46 0 -113.41696 1.89270 1.70949 -113.75318 292.90638
8140.0000 46 0 -113.63581 1.47313 1.71778 -113.64671 299.97402
8145.0000 46 0 -113.70712 1.63893 1.71875 -113.63428 304.08418
8150.0000 46 0 -113.44215 1.84003 1.72408 -113.56591 308.03388
8155.0000 46 0 -113.16768 1.67949 1.73484 -113.42773 318.97630
8160.0000 46 0 -113.28666 2.04433 1.74491 -113.29846 326.23098
8165.0000 46 0 -113.90458 1.73823 1.74544 -113.29164 340.17751
8170.0000 46 0 -113.53970 1.62766 1.71230 -113.71705 308.52753
8175.0000 46 0 -113.53960 1.55451 1.70964 -113.75121 307.85033
8180.0000 46 0 -113.93087 1.69888 1.71098 -113.73404 309.84582
8185.0000 46 0 -113.77217 1.82577 1.70180 -113.85187 299.47056
8190.0000 46 0 -114.07167 1.58483 1.69197 -113.97810 279.39267
8195.0000 46 0 -113.38193 1.92852 1.71247 -113.71487 309.39650
8200.0000 46 0 -113.63462 1.80709 1.72629 -113.53747 318.92520
8205.0000 46 0 -113.44832 1.70637 1.71989 -113.61964 319.43654
8210.0000 46 0 -113.99049 1.81047 1.70480 -113.81334 306.29437
8215.0000 46 0 -113.71403 1.88489 1.68612 -114.05315 280.34767
8220.0000 46 0 -113.76061 1.76694 1.71500 -113.68243 311.03417
8225.0000 46 0 -114.21123 1.67120 1.70687 -113.78676 306.03255
8230.0000 46 0 -114.13023 1.57264 1.68674 -114.04526 280.35438
8235.0000 46 0 -114.18332 1.76069 1.67027 -114.25664 270.01023
8240.0000 46 0 -114.36887 1.45914 1.67898 -114.14489 278.06120
8245.0000 46 0 -114.16340 1.61610 1.67270 -114.22553 267.33946
8250.0000 46 0 -113.81047 1.73328 1.69913 -113.88614 296.42461
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12075 -0.76941 -0.34982
force_rgl> df(natom) 0.00000 0.00000 0.00000
8255.0000 47 0 -113.42383 3.24865 1.92664 -113.55817 328.70458
8260.0000 47 0 -114.87600 2.35658 1.86362 -114.37892 426.38625
8265.0000 47 0 -116.06206 1.76183 1.76620 -115.64769 348.33866
8270.0000 47 0 -115.75974 2.06161 1.75591 -115.78164 341.47240
8275.0000 47 0 -116.33041 1.94522 1.72285 -116.21221 305.67671
8280.0000 47 0 -116.10287 2.04319 1.72497 -116.18466 306.64803
8285.0000 47 0 -116.49746 1.42945 1.70005 -116.50916 275.62087
8290.0000 47 0 -116.40198 2.00869 1.70502 -116.44444 290.46461
8295.0000 47 0 -115.86540 1.88663 1.71507 -116.31363 300.85614
8300.0000 47 0 -116.35152 1.59717 1.73457 -116.05962 314.32655
8305.0000 47 0 -116.39866 2.03059 1.71166 -116.35794 297.11002
8310.0000 47 0 -116.54434 1.50224 1.68396 -116.71870 266.59627
8315.0000 47 0 -116.65228 1.57525 1.70944 -116.38695 287.60813
8320.0000 47 0 -116.13520 1.79395 1.69600 -116.56191 275.14246
8325.0000 47 0 -116.78299 1.60062 1.71784 -116.27750 306.85784
8330.0000 47 0 -116.23302 1.92234 1.70271 -116.47454 293.28105
8335.0000 47 0 -115.95158 2.15519 1.72138 -116.23136 305.62833
8340.0000 47 0 -115.96380 1.92623 1.74420 -115.93422 325.03308
8345.0000 47 0 -116.34821 1.82124 1.70667 -116.42291 292.23108
8350.0000 47 0 -116.86716 1.49802 1.70257 -116.47637 288.06449
8355.0000 47 0 -116.48176 1.70943 1.69900 -116.52284 279.64764
8360.0000 47 0 -116.10536 1.88228 1.71436 -116.32284 302.71484
8365.0000 47 0 -116.44681 1.40481 1.72554 -116.17724 311.04206
8370.0000 47 0 -116.52557 1.62833 1.70443 -116.45213 290.57786
8375.0000 47 0 -116.65494 1.62775 1.69800 -116.53585 282.28143
8380.0000 47 0 -116.42379 1.95875 1.71817 -116.27317 293.71664
8385.0000 47 0 -116.22718 1.88212 1.72065 -116.24094 298.47598
8390.0000 47 0 -116.39004 1.89119 1.70654 -116.42470 294.40016
8395.0000 47 0 -116.42842 1.83841 1.70618 -116.42930 292.65756
8400.0000 47 0 -116.81785 1.53745 1.69582 -116.56424 288.33621
8405.0000 47 0 -116.75904 1.45715 1.66236 -117.00004 249.86031
8410.0000 47 0 -117.04416 1.75286 1.67049 -116.89414 255.38797
8415.0000 47 0 -116.49242 1.86528 1.68787 -116.66784 274.73348
8420.0000 47 0 -116.64197 1.54849 1.68672 -116.68278 270.01234
8425.0000 47 0 -116.59458 1.83613 1.70088 -116.49843 282.05623
8430.0000 47 0 -116.09217 1.85601 1.71710 -116.28713 295.15606
8435.0000 47 0 -116.12909 1.68340 1.72101 -116.23621 303.91621
8440.0000 47 0 -116.97982 1.62914 1.70650 -116.42524 287.55954
8445.0000 47 0 -116.37347 1.68826 1.69592 -116.56294 281.57967
8450.0000 47 0 -116.69167 1.57385 1.69801 -116.53578 281.99028
8455.0000 47 0 -116.07932 1.87267 1.71479 -116.31726 301.62335
8460.0000 47 0 -115.90978 1.97108 1.74382 -115.93915 328.95594
8465.0000 47 0 -115.78149 2.14611 1.72989 -116.12056 309.79386
8470.0000 47 0 -116.45090 1.62320 1.72728 -116.15455 304.97376
8475.0000 47 0 -116.21408 1.52434 1.71706 -116.28759 296.21818
8480.0000 47 0 -116.55207 1.76025 1.71919 -116.25997 309.90455
8485.0000 47 0 -116.10724 1.99788 1.71987 -116.25108 299.43523
8490.0000 47 0 -116.03491 1.83034 1.72252 -116.21655 305.95085
8495.0000 47 0 -115.90364 2.11159 1.73703 -116.02760 321.93234
8500.0000 47 0 -116.21337 1.85138 1.73694 -116.02876 320.82709
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 31.1863619 [s].
main_MD> Deallocating global variables
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