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nanoparticlesims/growth_Melting_Silver_ICO_4091/growthSims/run_42/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: 1450
main_MD> Size of nv and nvoiz: 42 4200
main_MD> Size of nv and nvoiz: 42 4200
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 = 42
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> 0.14160910866603216 7.2760212100439828E-002 -0.27572795104222192 initial drift of cluster / NP1 for coalescence
init> 0.47210193855839289 0.40714409844045824 0.27800810784800767 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 303.60637567937596
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -30.045371942864332 0.36223467075618809 -30.407606613620519 3.6774386012987847E-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) -0.11280 1.82887 1.34160
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 14 0 -29.76244 0.63209 1.95904 -29.92034 260.79820
10.0000 14 0 -30.38561 1.66873 1.93891 -30.03728 790.99705
15.0000 14 0 -30.81995 1.06976 1.83257 -30.65501 674.64161
20.0000 14 0 -31.67198 0.64820 1.71867 -31.31662 485.67855
25.0000 14 0 -31.60802 0.90030 1.67801 -31.55281 420.44216
30.0000 14 0 -31.48149 0.75394 1.69032 -31.48132 446.44643
35.0000 14 0 -31.74470 0.62337 1.67207 -31.58730 432.40981
40.0000 14 0 -32.03701 0.45228 1.63190 -31.82065 352.47197
45.0000 14 0 -31.89534 0.54092 1.60710 -31.96467 305.39923
50.0000 14 0 -31.88771 0.49592 1.61440 -31.92229 306.33079
55.0000 14 0 -31.77315 0.60853 1.62283 -31.87332 303.77947
60.0000 14 0 -31.92068 0.62388 1.64908 -31.72087 388.43090
65.0000 14 0 -31.93494 0.53258 1.60262 -31.99070 281.34415
70.0000 14 0 -31.66153 0.59473 1.64072 -31.76940 350.46787
75.0000 14 0 -31.87025 0.62416 1.63067 -31.82778 345.21697
80.0000 14 0 -31.88070 0.52753 1.62437 -31.86439 330.98399
85.0000 14 0 -31.88266 0.57014 1.63795 -31.78553 363.99771
90.0000 14 0 -31.80300 0.59297 1.65061 -31.71197 379.61890
95.0000 14 0 -31.94669 0.44940 1.61914 -31.89479 296.08123
100.0000 14 0 -31.84667 0.48468 1.65182 -31.70491 349.23376
105.0000 14 0 -31.99042 0.40093 1.62409 -31.86600 315.27031
110.0000 14 0 -32.02844 0.46983 1.62990 -31.83225 344.97029
115.0000 14 0 -31.95627 0.44021 1.61170 -31.93799 302.12896
120.0000 14 0 -32.17036 0.32465 1.60593 -31.97151 285.11639
125.0000 14 0 -31.66839 0.66820 1.61782 -31.90246 308.55652
130.0000 14 0 -31.87186 0.55125 1.61619 -31.91189 332.24095
135.0000 14 0 -31.79746 0.47124 1.63084 -31.82682 360.47270
140.0000 14 0 -31.86467 0.43490 1.61529 -31.91711 323.49690
145.0000 14 0 -31.83350 0.59393 1.61698 -31.90729 328.75195
150.0000 14 0 -31.74269 0.59599 1.65911 -31.66259 372.18746
155.0000 14 0 -31.92293 0.57262 1.62954 -31.83436 332.77190
160.0000 14 0 -31.95114 0.54001 1.62677 -31.85046 313.95480
165.0000 14 0 -31.77348 0.52251 1.63511 -31.80201 341.95260
170.0000 14 0 -31.86184 0.51655 1.61734 -31.90523 301.04244
175.0000 14 0 -31.50822 0.73630 1.66227 -31.64424 380.38366
180.0000 14 0 -31.73781 0.63665 1.67520 -31.56914 406.51789
185.0000 14 0 -31.75768 0.48996 1.62809 -31.84277 297.66524
190.0000 14 0 -32.04824 0.56332 1.60997 -31.94801 292.64955
195.0000 14 0 -32.04722 0.34424 1.60856 -31.95624 306.68541
200.0000 14 0 -31.97032 0.37456 1.61055 -31.94465 300.21419
205.0000 14 0 -31.96472 0.42436 1.60679 -31.96649 291.69632
210.0000 14 0 -31.82436 0.61987 1.62387 -31.86728 332.56353
215.0000 14 0 -32.05123 0.57424 1.61299 -31.93051 318.24273
220.0000 14 0 -31.78037 0.47093 1.64480 -31.74570 347.92966
225.0000 14 0 -31.59786 0.78088 1.65926 -31.66173 394.60792
230.0000 14 0 -31.93692 0.67845 1.64039 -31.77132 373.48809
235.0000 14 0 -31.72095 0.51208 1.63093 -31.82629 354.12213
240.0000 14 0 -31.65597 0.75592 1.65102 -31.70956 401.86415
245.0000 14 0 -31.88964 0.63251 1.61866 -31.89755 328.67394
250.0000 14 0 -31.85626 0.57653 1.60699 -31.96533 299.80053
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54859 1.21603 -3.50461
force_rgl> df(natom) 0.00000 0.00000 0.00000
255.0000 15 0 -31.95408 1.18606 2.07134 -31.65170 461.73595
260.0000 15 0 -33.63034 0.92944 1.82956 -33.12226 619.18507
265.0000 15 0 -34.31388 0.69943 1.68378 -34.00891 406.05154
270.0000 15 0 -34.42262 0.57516 1.62636 -34.35813 329.41942
275.0000 15 0 -34.42858 0.51702 1.61882 -34.40404 321.03241
280.0000 15 0 -34.46376 0.44678 1.60580 -34.48319 300.89236
285.0000 15 0 -34.44294 0.59768 1.60759 -34.47234 306.01134
290.0000 15 0 -34.42565 0.52958 1.61059 -34.45405 311.91309
295.0000 15 0 -34.35815 0.75863 1.61203 -34.44533 305.57611
300.0000 15 0 -34.15082 0.76160 1.63897 -34.28143 362.99586
305.0000 15 0 -34.11237 0.77971 1.66332 -34.13336 394.89425
310.0000 15 0 -34.26222 0.76909 1.64725 -34.23112 379.81918
315.0000 15 0 -34.41713 0.45576 1.62647 -34.35748 336.30971
320.0000 15 0 -33.94171 0.94648 1.65602 -34.17777 375.79468
325.0000 15 0 -34.07188 0.87049 1.66567 -34.11908 396.06562
330.0000 15 0 -34.40903 0.62653 1.65502 -34.18385 389.46105
335.0000 15 0 -34.43226 0.64008 1.61262 -34.44174 328.34130
340.0000 15 0 -34.64488 0.40657 1.60706 -34.47557 301.73120
345.0000 15 0 -34.19133 0.58685 1.62391 -34.37304 333.79348
350.0000 15 0 -34.44287 0.57768 1.62060 -34.39317 327.02880
355.0000 15 0 -34.41209 0.62748 1.62390 -34.37312 335.96188
360.0000 15 0 -34.41410 0.72279 1.61608 -34.42065 320.15625
365.0000 15 0 -34.32686 0.44169 1.64189 -34.26371 373.79015
370.0000 15 0 -34.56633 0.51891 1.63424 -34.31022 357.90071
375.0000 15 0 -34.74266 0.41660 1.57203 -34.68859 251.09761
380.0000 15 0 -34.20955 0.61682 1.60041 -34.51599 303.50234
385.0000 15 0 -34.37428 0.58217 1.64569 -34.24057 367.91496
390.0000 15 0 -34.33527 0.67465 1.65318 -34.19502 367.38886
395.0000 15 0 -34.31200 0.67430 1.60477 -34.48949 298.16387
400.0000 15 0 -34.51892 0.61042 1.60738 -34.47359 297.69869
405.0000 15 0 -34.31285 0.60405 1.61186 -34.44635 324.69836
410.0000 15 0 -34.08009 0.67538 1.65721 -34.17052 388.50702
415.0000 15 0 -34.41949 0.65098 1.62864 -34.34431 358.15085
420.0000 15 0 -34.12244 0.87795 1.63058 -34.33246 350.72254
425.0000 15 0 -34.49922 0.59549 1.62903 -34.34190 331.16261
430.0000 15 0 -34.83976 0.41512 1.59523 -34.54751 290.03064
435.0000 15 0 -34.83222 0.36170 1.55318 -34.80327 222.12883
440.0000 15 0 -34.66398 0.57926 1.55646 -34.78331 224.58805
445.0000 15 0 -34.56118 0.34769 1.57908 -34.64574 251.12308
450.0000 15 0 -34.24422 0.42431 1.62365 -34.37462 316.79503
455.0000 15 0 -34.39474 0.59907 1.63633 -34.29750 335.96651
460.0000 15 0 -34.37909 0.64970 1.61856 -34.40560 322.77593
465.0000 15 0 -34.20653 0.74140 1.63523 -34.30422 350.31657
470.0000 15 0 -34.26743 0.62256 1.65431 -34.18816 364.18572
475.0000 15 0 -34.25796 0.49907 1.64247 -34.26015 343.48295
480.0000 15 0 -34.44577 0.54086 1.63460 -34.30801 334.52363
485.0000 15 0 -34.62739 0.61607 1.60212 -34.50558 284.47600
490.0000 15 0 -34.47289 0.63636 1.59575 -34.54430 276.44153
495.0000 15 0 -34.50980 0.58476 1.59609 -34.54224 272.54450
500.0000 15 0 -34.34956 0.60483 1.59453 -34.55173 285.19706
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.07472 -1.83473 1.61217
force_rgl> df(natom) 0.00000 0.00000 0.00000
505.0000 16 0 -34.29009 0.50345 2.03300 -34.29123 340.06113
510.0000 16 0 -35.23572 1.42326 1.94630 -34.84175 730.71911
515.0000 16 0 -36.18685 1.08888 1.76704 -35.97998 555.23008
520.0000 16 0 -36.53767 0.61886 1.69240 -36.45395 414.25066
525.0000 16 0 -36.55340 0.77228 1.66220 -36.64569 374.79085
530.0000 16 0 -36.98742 0.54360 1.65011 -36.72244 368.69534
535.0000 16 0 -36.80862 0.78823 1.60456 -37.01171 285.13634
540.0000 16 0 -36.88026 0.52734 1.61693 -36.93313 300.09104
545.0000 16 0 -36.88671 0.47262 1.63200 -36.83743 316.22306
550.0000 16 0 -37.05186 0.50732 1.62463 -36.88425 305.42818
555.0000 16 0 -36.89062 0.66373 1.61725 -36.93111 286.91729
560.0000 16 0 -36.88192 0.53057 1.61755 -36.92921 290.36856
565.0000 16 0 -36.73088 0.83048 1.61892 -36.92051 316.60957
570.0000 16 0 -36.87196 0.58049 1.62215 -36.89997 314.14127
575.0000 16 0 -36.99390 0.54589 1.60731 -36.99421 291.16605
580.0000 16 0 -36.73217 0.71323 1.61810 -36.92570 319.41448
585.0000 16 0 -36.71391 0.42632 1.64247 -36.77098 342.64216
590.0000 16 0 -36.81941 0.76120 1.64600 -36.74857 347.89918
595.0000 16 0 -37.05634 0.46102 1.61281 -36.95928 318.08960
600.0000 16 0 -36.98392 0.61920 1.59604 -37.06579 267.22532
605.0000 16 0 -36.88245 0.57020 1.61123 -36.96936 282.88345
610.0000 16 0 -36.91370 0.51114 1.61121 -36.96943 294.71612
615.0000 16 0 -36.74680 0.76139 1.64945 -36.72666 348.69125
620.0000 16 0 -36.62910 0.55124 1.64706 -36.74181 345.49086
625.0000 16 0 -36.36063 1.02256 1.69999 -36.40574 439.27585
630.0000 16 0 -36.51208 0.89977 1.69640 -36.42853 415.52160
635.0000 16 0 -36.18908 0.58554 1.69219 -36.45529 403.66044
640.0000 16 0 -36.73438 0.67208 1.68551 -36.49769 415.89436
645.0000 16 0 -36.47192 0.79515 1.66360 -36.63681 377.19839
650.0000 16 0 -36.75481 0.68136 1.65116 -36.71580 342.19756
655.0000 16 0 -36.96993 0.65443 1.63709 -36.80515 328.58922
660.0000 16 0 -36.88867 0.59271 1.63286 -36.83200 316.02505
665.0000 16 0 -36.80207 0.79552 1.62200 -36.90092 307.50628
670.0000 16 0 -36.76548 0.72722 1.64529 -36.75303 356.36707
675.0000 16 0 -36.78512 0.70751 1.63921 -36.79164 350.64841
680.0000 16 0 -37.01071 0.45199 1.61330 -36.95617 303.53551
685.0000 16 0 -36.70799 0.65522 1.63653 -36.80870 346.46141
690.0000 16 0 -36.71362 0.59556 1.64091 -36.78088 346.17289
695.0000 16 0 -36.52198 0.86090 1.65589 -36.68576 370.83588
700.0000 16 0 -36.53720 0.58199 1.67203 -36.58330 383.47935
705.0000 16 0 -36.39588 0.83132 1.69215 -36.45551 428.13402
710.0000 16 0 -36.93614 0.54301 1.64702 -36.74207 346.14069
715.0000 16 0 -36.95065 0.53624 1.61557 -36.94179 298.66048
720.0000 16 0 -37.11415 0.52580 1.59228 -37.08963 261.91576
725.0000 16 0 -36.86251 0.56280 1.61360 -36.95430 292.29698
730.0000 16 0 -37.04139 0.64380 1.61542 -36.94269 291.08796
735.0000 16 0 -36.78639 0.61309 1.61953 -36.91665 304.48687
740.0000 16 0 -36.79648 0.74733 1.64729 -36.74037 357.29189
745.0000 16 0 -37.10945 0.50284 1.61693 -36.93314 300.38436
750.0000 16 0 -36.88689 0.78934 1.58123 -37.15984 239.90561
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91349 2.92227 0.56747
force_rgl> df(natom) 0.00000 0.00000 0.00000
755.0000 17 0 -36.88970 1.70166 2.01128 -36.85244 344.89272
760.0000 17 0 -38.18203 0.97776 1.93397 -37.36360 746.83927
765.0000 17 0 -38.84466 1.06125 1.73283 -38.69339 473.68584
770.0000 17 0 -39.22806 0.68458 1.66184 -39.16275 348.90830
775.0000 17 0 -39.41872 0.76502 1.64361 -39.28326 342.46526
780.0000 17 0 -39.32309 0.72219 1.62493 -39.40683 305.86246
785.0000 17 0 -39.39908 0.60514 1.62501 -39.40627 299.01676
790.0000 17 0 -39.37577 0.56622 1.61381 -39.48029 282.33209
795.0000 17 0 -39.47223 0.53418 1.60290 -39.55245 255.95965
800.0000 17 0 -39.25184 0.75847 1.62132 -39.43067 285.25553
805.0000 17 0 -39.30544 0.45278 1.62545 -39.40337 309.86463
810.0000 17 0 -39.16890 0.76351 1.66059 -39.17102 355.12364
815.0000 17 0 -39.12407 0.89952 1.66040 -39.17229 353.25342
820.0000 17 0 -39.58778 0.45908 1.61924 -39.44443 293.70058
825.0000 17 0 -39.26655 0.56295 1.61992 -39.43993 295.56979
830.0000 17 0 -39.40707 0.42911 1.64148 -39.29738 320.24816
835.0000 17 0 -39.10301 0.79387 1.64564 -39.26990 329.60161
840.0000 17 0 -39.44978 0.59464 1.62708 -39.39256 308.57918
845.0000 17 0 -39.25147 0.74035 1.62412 -39.41212 301.53990
850.0000 17 0 -39.51207 0.58395 1.62556 -39.40262 303.88156
855.0000 17 0 -39.24391 0.59606 1.61162 -39.49480 278.70273
860.0000 17 0 -39.28348 0.73285 1.64489 -39.27483 325.20227
865.0000 17 0 -39.15499 0.75305 1.67084 -39.10329 370.11619
870.0000 17 0 -39.24749 0.77619 1.67506 -39.07534 385.57531
875.0000 17 0 -39.16569 0.70976 1.65603 -39.20117 366.51048
880.0000 17 0 -39.27412 0.66316 1.64215 -39.29292 341.80572
885.0000 17 0 -39.46396 0.57180 1.63436 -39.34443 316.65597
890.0000 17 0 -39.29142 0.70119 1.63073 -39.36846 321.12229
895.0000 17 0 -39.42856 0.67297 1.62769 -39.38852 301.71625
900.0000 17 0 -39.11980 0.80341 1.64564 -39.26988 331.75682
905.0000 17 0 -39.29267 0.68241 1.65260 -39.22388 340.40799
910.0000 17 0 -39.42186 0.70083 1.63764 -39.32275 312.13680
915.0000 17 0 -39.17558 0.69228 1.66333 -39.15291 355.84564
920.0000 17 0 -39.30970 0.62316 1.63623 -39.33211 305.73874
925.0000 17 0 -39.41535 0.77159 1.62687 -39.39398 314.73211
930.0000 17 0 -39.17624 0.70993 1.66356 -39.15142 365.68084
935.0000 17 0 -39.16491 0.51003 1.67347 -39.08588 361.29933
940.0000 17 0 -39.10907 0.86870 1.65208 -39.22730 335.44864
945.0000 17 0 -39.04813 0.96125 1.66119 -39.16703 363.21399
950.0000 17 0 -39.10667 0.65361 1.67052 -39.10535 379.20465
955.0000 17 0 -39.08706 0.64738 1.65830 -39.18619 359.03215
960.0000 17 0 -39.54878 0.48940 1.64690 -39.26153 328.78337
965.0000 17 0 -39.43236 0.58642 1.62147 -39.42969 286.66679
970.0000 17 0 -39.25487 0.63021 1.62471 -39.40827 304.08837
975.0000 17 0 -39.13593 0.85938 1.66873 -39.11722 380.71672
980.0000 17 0 -39.36704 0.72370 1.64079 -39.30193 331.74217
985.0000 17 0 -39.08843 1.06341 1.64911 -39.24690 346.65126
990.0000 17 0 -39.08275 0.61064 1.66449 -39.14525 352.97125
995.0000 17 0 -39.09025 0.71060 1.66166 -39.16395 340.79637
1000.0000 17 0 -39.50859 0.63180 1.63591 -39.33419 308.53271
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48097 -0.67906 -0.89946
force_rgl> df(natom) 0.00000 0.00000 0.00000
1005.0000 18 0 -39.15141 2.43237 1.99959 -39.36627 364.85451
1010.0000 18 0 -40.21070 1.28366 1.93618 -39.80173 721.14048
1015.0000 18 0 -41.20532 0.99799 1.79418 -40.77704 488.61794
1020.0000 18 0 -41.51109 0.80982 1.67457 -41.59856 333.81316
1025.0000 18 0 -41.84452 0.64705 1.66111 -41.69100 337.22180
1030.0000 18 0 -41.91792 0.73157 1.64822 -41.77959 323.02523
1035.0000 18 0 -41.47896 1.07187 1.65309 -41.74608 326.46390
1040.0000 18 0 -41.43317 0.95035 1.70319 -41.40200 395.66520
1045.0000 18 0 -41.65695 0.84869 1.69281 -41.47328 368.47726
1050.0000 18 0 -41.84849 0.71114 1.65461 -41.73567 334.80167
1055.0000 18 0 -41.94570 0.43935 1.63495 -41.87068 291.31865
1060.0000 18 0 -41.49235 1.06740 1.65281 -41.74801 330.62187
1065.0000 18 0 -41.63099 0.81626 1.66147 -41.68856 342.25325
1070.0000 18 0 -41.97604 0.73298 1.66440 -41.66845 346.18074
1075.0000 18 0 -41.71552 0.53367 1.64253 -41.81864 317.13293
1080.0000 18 0 -41.65034 0.80060 1.66151 -41.68826 342.24673
1085.0000 18 0 -41.87726 0.41712 1.66415 -41.67016 351.25427
1090.0000 18 0 -41.97732 0.64200 1.61763 -41.98962 276.53439
1095.0000 18 0 -41.71806 0.68649 1.63264 -41.88660 303.75222
1100.0000 18 0 -41.96617 0.61860 1.65044 -41.76432 326.51549
1105.0000 18 0 -41.76758 0.69323 1.63437 -41.87470 303.10935
1110.0000 18 0 -41.77939 0.64212 1.63896 -41.84313 295.59851
1115.0000 18 0 -41.44473 0.76475 1.70312 -41.40247 403.86000
1120.0000 18 0 -41.65869 0.69275 1.67841 -41.57222 350.08461
1125.0000 18 0 -41.43485 1.06617 1.66986 -41.63093 365.16982
1130.0000 18 0 -41.62150 0.61006 1.68010 -41.56062 357.70463
1135.0000 18 0 -41.92036 0.72186 1.64693 -41.78844 300.67628
1140.0000 18 0 -41.82195 0.65320 1.63693 -41.85707 286.32776
1145.0000 18 0 -41.68712 0.72378 1.64465 -41.80406 296.35394
1150.0000 18 0 -41.62890 0.70995 1.66463 -41.66687 336.79477
1155.0000 18 0 -42.04064 0.40752 1.64860 -41.77698 271.97345
1160.0000 18 0 -41.76728 0.61194 1.64982 -41.76855 286.03977
1165.0000 18 0 -41.64829 0.68330 1.64189 -41.82303 283.52163
1170.0000 18 0 -41.74076 0.86509 1.65285 -41.74777 304.05334
1175.0000 18 0 -41.72252 0.70106 1.63296 -41.88433 301.65002
1180.0000 18 0 -41.68575 0.72144 1.64137 -41.82663 308.61364
1185.0000 18 0 -41.73685 0.61451 1.64911 -41.77343 320.74030
1190.0000 18 0 -41.64777 0.63900 1.64131 -41.82703 308.98732
1195.0000 18 0 -41.90992 0.56853 1.65471 -41.73496 340.84540
1200.0000 18 0 -41.74366 0.78806 1.65271 -41.74873 343.32851
1205.0000 18 0 -41.56570 0.75985 1.65450 -41.73640 327.03273
1210.0000 18 0 -41.85244 0.69655 1.65812 -41.71152 328.76298
1215.0000 18 0 -41.93163 0.57738 1.63796 -41.85001 285.07208
1220.0000 18 0 -41.82219 0.71192 1.64663 -41.79047 323.40954
1225.0000 18 0 -41.67405 0.80241 1.63639 -41.86083 307.21119
1230.0000 18 0 -41.72617 0.68815 1.65222 -41.75207 313.89159
1235.0000 18 0 -42.08588 0.50578 1.62540 -41.93631 272.42332
1240.0000 18 0 -41.66716 0.74810 1.63330 -41.88204 296.16528
1245.0000 18 0 -41.73178 0.65611 1.65536 -41.73050 314.10240
1250.0000 18 0 -41.83293 0.46530 1.64389 -41.80927 305.54823
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60361 -1.48226 2.05421
force_rgl> df(natom) 0.00000 0.00000 0.00000
1255.0000 19 0 -41.58982 1.14897 2.02689 -41.61777 357.26090
1260.0000 19 0 -43.02700 0.99589 1.92568 -42.33848 656.27362
1265.0000 19 0 -43.58285 0.84923 1.79224 -43.28861 482.45324
1270.0000 19 0 -43.65508 0.94621 1.75489 -43.55455 409.39575
1275.0000 19 0 -43.66062 1.13831 1.74049 -43.65707 392.35031
1280.0000 19 0 -43.95291 0.64780 1.72654 -43.75638 378.97416
1285.0000 19 0 -43.90968 0.90470 1.68846 -44.02758 335.06196
1290.0000 19 0 -44.05648 0.77245 1.69992 -43.94593 358.22834
1295.0000 19 0 -43.86459 0.89384 1.68308 -44.06586 326.58845
1300.0000 19 0 -44.20199 0.49973 1.66773 -44.17512 314.04777
1305.0000 19 0 -44.28758 0.72113 1.65665 -44.25406 289.17101
1310.0000 19 0 -44.03466 0.96088 1.66225 -44.21417 307.08035
1315.0000 19 0 -44.22630 0.81614 1.69607 -43.97339 361.75057
1320.0000 19 0 -44.52909 0.54891 1.63049 -44.44029 259.05237
1325.0000 19 0 -43.75240 0.86768 1.67450 -44.12692 329.57051
1330.0000 19 0 -44.10304 0.81452 1.70984 -43.87529 374.67285
1335.0000 19 0 -44.35525 0.62837 1.65315 -44.27894 293.26143
1340.0000 19 0 -44.38087 0.51198 1.65068 -44.29658 281.85501
1345.0000 19 0 -44.04657 0.68274 1.67480 -44.12480 319.93858
1350.0000 19 0 -44.19711 0.64005 1.67022 -44.15741 323.73350
1355.0000 19 0 -44.19005 0.67088 1.66015 -44.22914 316.90832
1360.0000 19 0 -43.83323 0.88648 1.68327 -44.06450 350.78660
1365.0000 19 0 -44.11626 0.84623 1.69265 -43.99774 356.28837
1370.0000 19 0 -44.03772 0.72841 1.66943 -44.16302 327.98348
1375.0000 19 0 -43.98448 0.96371 1.70053 -43.94161 369.36137
1380.0000 19 0 -44.23914 0.86316 1.68998 -44.01672 365.13470
1385.0000 19 0 -44.14127 0.73546 1.66462 -44.19732 317.51517
1390.0000 19 0 -43.94473 0.74196 1.67370 -44.13262 326.52436
1395.0000 19 0 -44.34100 0.66099 1.66410 -44.20102 314.81446
1400.0000 19 0 -44.24620 0.61203 1.65677 -44.25319 294.38536
1405.0000 19 0 -44.03769 0.86617 1.66582 -44.18873 286.37051
1410.0000 19 0 -44.09477 0.91963 1.70232 -43.92887 370.84520
1415.0000 19 0 -44.30909 0.61076 1.66883 -44.16735 313.66914
1420.0000 19 0 -44.24440 0.64404 1.67210 -44.14402 305.94261
1425.0000 19 0 -44.15105 0.60697 1.65728 -44.24955 278.76496
1430.0000 19 0 -44.36566 0.63260 1.64486 -44.33798 276.75019
1435.0000 19 0 -44.01787 1.03096 1.67395 -44.13088 321.20333
1440.0000 19 0 -43.89046 0.99939 1.68776 -44.03252 346.09499
1445.0000 19 0 -44.15350 0.81394 1.68287 -44.06735 329.22533
1450.0000 19 0 -44.04194 0.60130 1.67103 -44.15163 319.52982
1455.0000 19 0 -44.21566 0.59318 1.67575 -44.11804 330.73689
1460.0000 19 0 -44.26097 0.52120 1.65749 -44.24807 304.97971
1465.0000 19 0 -44.36497 0.55375 1.66572 -44.18949 303.85468
1470.0000 19 0 -44.14515 0.70774 1.65902 -44.23714 297.46818
1475.0000 19 0 -44.24342 0.70462 1.65996 -44.23049 292.66497
1480.0000 19 0 -44.35716 0.69519 1.65160 -44.28998 293.73758
1485.0000 19 0 -44.50295 0.59544 1.62756 -44.46119 264.35329
1490.0000 19 0 -44.11729 0.68899 1.66361 -44.20445 313.75177
1495.0000 19 0 -44.24419 0.65129 1.68507 -44.05170 343.37729
1500.0000 19 0 -44.07607 0.86454 1.65141 -44.29137 299.32901
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49141 -1.36837 -5.16011
force_rgl> df(natom) 0.00000 0.00000 0.00000
1505.0000 20 0 -44.02764 0.77200 2.00976 -44.19198 325.83070
1510.0000 20 0 -45.31954 1.11931 1.92114 -44.84493 573.33817
1515.0000 20 0 -46.13958 0.85300 1.80417 -45.70673 478.86838
1520.0000 20 0 -46.54528 0.74326 1.72669 -46.27767 367.57803
1525.0000 20 0 -46.64829 0.96079 1.67636 -46.64848 332.27106
1530.0000 20 0 -46.69413 0.85075 1.66420 -46.73805 308.40957
1535.0000 20 0 -46.78294 0.67261 1.66488 -46.73308 316.96657
1540.0000 20 0 -46.72485 0.74215 1.64918 -46.84875 283.68443
1545.0000 20 0 -46.92008 0.81357 1.65716 -46.78997 305.09788
1550.0000 20 0 -46.80587 0.78660 1.64792 -46.85804 285.78014
1555.0000 20 0 -46.53278 0.77637 1.66304 -46.74661 289.89411
1560.0000 20 0 -46.34530 0.91789 1.69912 -46.48074 349.40775
1565.0000 20 0 -46.58897 0.67395 1.70267 -46.45458 364.48747
1570.0000 20 0 -46.79325 0.74890 1.67055 -46.69129 316.83825
1575.0000 20 0 -46.86566 0.60217 1.67032 -46.69301 312.97527
1580.0000 20 0 -46.55356 1.03923 1.68039 -46.61878 328.75986
1585.0000 20 0 -46.64291 0.89650 1.69310 -46.52516 353.97484
1590.0000 20 0 -46.51259 0.99578 1.67709 -46.64307 334.71339
1595.0000 20 0 -47.01481 0.71362 1.65731 -46.78887 314.98612
1600.0000 20 0 -46.80792 0.66535 1.64076 -46.91077 278.13955
1605.0000 20 0 -46.83686 0.79510 1.65554 -46.80187 282.45505
1610.0000 20 0 -46.72171 0.86313 1.65224 -46.82617 300.19724
1615.0000 20 0 -46.01069 1.24260 1.69800 -46.48907 356.67070
1620.0000 20 0 -46.40812 1.09670 1.72726 -46.27344 387.84434
1625.0000 20 0 -46.73292 0.66536 1.67316 -46.67202 313.22369
1630.0000 20 0 -46.68273 0.86210 1.67459 -46.66154 325.80685
1635.0000 20 0 -46.54697 0.89459 1.67901 -46.62896 329.13737
1640.0000 20 0 -46.58776 0.69980 1.69440 -46.51559 346.85126
1645.0000 20 0 -46.77560 0.78295 1.65252 -46.82413 296.68617
1650.0000 20 0 -46.62838 0.68608 1.69319 -46.52448 344.01018
1655.0000 20 0 -46.64938 1.03338 1.67246 -46.67723 326.22376
1660.0000 20 0 -46.54813 0.80060 1.70236 -46.45687 382.14219
1665.0000 20 0 -46.98419 0.58451 1.66536 -46.72953 312.63544
1670.0000 20 0 -46.59821 0.92635 1.63227 -46.97332 271.76740
1675.0000 20 0 -46.32516 0.77204 1.69822 -46.48743 362.47905
1680.0000 20 0 -46.40382 0.96902 1.71091 -46.39393 372.23191
1685.0000 20 0 -46.88368 0.64605 1.67369 -46.66812 332.34253
1690.0000 20 0 -46.79550 0.60374 1.67127 -46.68595 321.61899
1695.0000 20 0 -46.66901 0.61812 1.63352 -46.96416 262.54708
1700.0000 20 0 -46.83281 0.56933 1.65324 -46.81885 294.11516
1705.0000 20 0 -46.70969 0.84790 1.65383 -46.81449 298.18166
1710.0000 20 0 -46.87572 0.67398 1.63325 -46.96613 275.43305
1715.0000 20 0 -46.63960 0.91662 1.66856 -46.70594 337.76366
1720.0000 20 0 -46.96014 0.73932 1.64671 -46.86694 295.91907
1725.0000 20 0 -46.80338 0.90184 1.65202 -46.82782 294.11986
1730.0000 20 0 -46.77687 0.75065 1.66375 -46.74141 307.59268
1735.0000 20 0 -46.62292 0.80759 1.64861 -46.85291 293.68700
1740.0000 20 0 -46.55237 0.79937 1.68047 -46.61819 330.53520
1745.0000 20 0 -46.98501 0.51998 1.66719 -46.71607 314.31831
1750.0000 20 0 -46.69917 0.83176 1.66517 -46.73096 316.09676
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38391 0.36180 -0.26712
force_rgl> df(natom) 0.00000 0.00000 0.00000
1755.0000 21 0 -46.34398 1.39040 2.02299 -46.55171 340.26874
1760.0000 21 0 -47.87986 1.08557 1.93187 -47.24528 628.73219
1765.0000 21 0 -48.80698 0.96393 1.78455 -48.36664 426.54563
1770.0000 21 0 -49.08016 0.78780 1.68903 -49.09366 345.40062
1775.0000 21 0 -49.34692 0.68396 1.66482 -49.27796 331.18473
1780.0000 21 0 -49.47387 0.79873 1.64006 -49.46645 300.91364
1785.0000 21 0 -49.22402 0.77441 1.65525 -49.35080 320.48986
1790.0000 21 0 -49.68257 0.66805 1.64176 -49.45344 295.08463
1795.0000 21 0 -49.38252 0.76968 1.63366 -49.51514 265.69514
1800.0000 21 0 -49.29366 0.80486 1.63706 -49.48924 270.96398
1805.0000 21 0 -49.37845 0.64596 1.67196 -49.22359 335.41929
1810.0000 21 0 -49.35129 0.86543 1.66853 -49.24972 343.77616
1815.0000 21 0 -49.20679 0.67098 1.67578 -49.19450 356.22786
1820.0000 21 0 -49.21819 1.07999 1.68360 -49.13499 351.41493
1825.0000 21 0 -49.37891 0.77237 1.67046 -49.23504 336.20697
1830.0000 21 0 -49.42616 0.93870 1.63759 -49.48519 294.28539
1835.0000 21 0 -49.28387 0.89561 1.65085 -49.38431 301.78096
1840.0000 21 0 -49.26896 0.72289 1.64704 -49.41331 299.66854
1845.0000 21 0 -49.03926 0.95712 1.68041 -49.15932 346.94183
1850.0000 21 0 -48.97610 1.08097 1.70615 -48.96338 394.37644
1855.0000 21 0 -49.36122 0.89408 1.68850 -49.09770 362.76296
1860.0000 21 0 -48.95951 1.09341 1.68379 -49.13356 350.39036
1865.0000 21 0 -49.43011 0.64237 1.69272 -49.06557 364.87478
1870.0000 21 0 -49.12636 1.01466 1.67519 -49.19903 345.35634
1875.0000 21 0 -49.17575 0.85561 1.66250 -49.29564 329.72076
1880.0000 21 0 -49.34786 0.79036 1.65246 -49.37201 308.07663
1885.0000 21 0 -49.20791 0.72853 1.66457 -49.27988 345.66016
1890.0000 21 0 -48.70388 1.51425 1.69927 -49.01577 373.22065
1895.0000 21 0 -49.32484 0.86787 1.68989 -49.08710 377.58667
1900.0000 21 0 -49.11261 0.71658 1.65889 -49.32310 330.26271
1905.0000 21 0 -49.41109 0.82137 1.67240 -49.22027 341.20212
1910.0000 21 0 -49.24393 0.97834 1.65449 -49.35658 310.28157
1915.0000 21 0 -48.99670 1.07921 1.66457 -49.27987 325.05206
1920.0000 21 0 -49.13206 0.93021 1.69743 -49.02977 374.28749
1925.0000 21 0 -49.24759 0.84950 1.67195 -49.22369 338.85966
1930.0000 21 0 -49.03668 0.88042 1.68970 -49.08855 362.77741
1935.0000 21 0 -49.18545 1.06066 1.67041 -49.23538 341.43399
1940.0000 21 0 -49.16611 0.88583 1.67053 -49.23449 342.09291
1945.0000 21 0 -49.38191 0.72843 1.66900 -49.24616 327.66706
1950.0000 21 0 -49.10182 1.15372 1.67262 -49.21862 349.60790
1955.0000 21 0 -49.18233 0.88687 1.68323 -49.13780 351.32553
1960.0000 21 0 -49.70805 0.53053 1.62906 -49.55013 275.37749
1965.0000 21 0 -49.45243 0.86444 1.63480 -49.50642 285.82428
1970.0000 21 0 -49.17382 0.82448 1.65824 -49.32806 319.09220
1975.0000 21 0 -49.37509 0.80537 1.67198 -49.22346 343.60847
1980.0000 21 0 -49.09313 0.94156 1.66439 -49.28126 324.13004
1985.0000 21 0 -49.21514 0.69785 1.67771 -49.17981 344.95864
1990.0000 21 0 -49.13753 1.07219 1.65739 -49.33448 320.21652
1995.0000 21 0 -49.01385 1.02043 1.68865 -49.09655 357.80503
2000.0000 21 0 -49.12246 1.09503 1.68069 -49.15713 352.94089
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29004 3.97938 -2.29366
force_rgl> df(natom) 0.00000 0.00000 0.00000
2005.0000 22 0 -48.81918 1.10697 2.02178 -49.02615 370.16539
2010.0000 22 0 -50.94915 1.47410 1.88312 -50.11481 544.55192
2015.0000 22 0 -51.71119 0.94845 1.71224 -51.45651 402.25105
2020.0000 22 0 -51.92392 0.87533 1.66096 -51.85909 328.13805
2025.0000 22 0 -52.03300 0.94337 1.64038 -52.02071 304.34347
2030.0000 22 0 -51.82251 0.80209 1.64663 -51.97160 324.53254
2035.0000 22 0 -52.05056 0.76264 1.65213 -51.92843 320.43243
2040.0000 22 0 -52.14267 0.65951 1.65435 -51.91096 319.26677
2045.0000 22 0 -51.96170 0.88008 1.63086 -52.09542 296.30241
2050.0000 22 0 -52.20319 0.65385 1.62182 -52.16637 274.69143
2055.0000 22 0 -52.18930 0.82395 1.61999 -52.18076 272.47649
2060.0000 22 0 -52.13191 0.76565 1.61137 -52.24844 260.43034
2065.0000 22 0 -51.95425 0.70087 1.64201 -52.00786 307.33566
2070.0000 22 0 -51.98647 0.93523 1.65236 -51.92661 310.64360
2075.0000 22 0 -51.72984 0.95600 1.65113 -51.93629 308.41706
2080.0000 22 0 -51.92240 0.78761 1.67701 -51.73308 336.16101
2085.0000 22 0 -51.93728 0.81852 1.67243 -51.76904 343.79270
2090.0000 22 0 -51.62409 0.96161 1.67544 -51.74544 356.15143
2095.0000 22 0 -51.99867 0.86885 1.66659 -51.81490 331.40488
2100.0000 22 0 -51.99194 0.81552 1.66493 -51.82796 327.51843
2105.0000 22 0 -51.87255 0.94898 1.66795 -51.80424 337.96048
2110.0000 22 0 -51.93905 0.77104 1.67134 -51.77760 338.92344
2115.0000 22 0 -51.58236 0.95342 1.67935 -51.71474 366.85965
2120.0000 22 0 -52.00279 1.14207 1.66237 -51.84801 327.08874
2125.0000 22 0 -51.97724 0.89822 1.65201 -51.92940 316.30370
2130.0000 22 0 -51.48867 1.15205 1.66128 -51.85656 340.27643
2135.0000 22 0 -51.40565 1.25988 1.71067 -51.46881 403.37646
2140.0000 22 0 -51.61595 0.91177 1.67717 -51.73183 346.97244
2145.0000 22 0 -52.05549 0.84181 1.66958 -51.79139 340.89521
2150.0000 22 0 -51.96529 0.72957 1.63408 -52.07018 304.98775
2155.0000 22 0 -51.79711 0.67606 1.66554 -51.82315 333.02260
2160.0000 22 0 -51.65580 1.07113 1.67110 -51.77947 351.36068
2165.0000 22 0 -51.57740 1.13894 1.68702 -51.65451 354.76065
2170.0000 22 0 -52.04533 0.79399 1.65238 -51.92646 321.46879
2175.0000 22 0 -51.97536 0.86139 1.62237 -52.16212 278.64838
2180.0000 22 0 -51.69290 0.95940 1.67970 -51.71198 372.84589
2185.0000 22 0 -52.34759 0.60018 1.62382 -52.15073 279.34203
2190.0000 22 0 -51.62803 0.84545 1.62499 -52.14150 280.06446
2195.0000 22 0 -51.97957 0.71645 1.66693 -51.81225 335.47851
2200.0000 22 0 -51.71656 0.90878 1.66319 -51.84161 329.31858
2205.0000 22 0 -51.94110 0.85695 1.66277 -51.84485 324.98703
2210.0000 22 0 -52.39412 0.59200 1.61534 -52.21725 257.58907
2215.0000 22 0 -52.48337 0.67573 1.60042 -52.33443 240.08576
2220.0000 22 0 -52.24777 0.66665 1.60265 -52.31690 244.56736
2225.0000 22 0 -51.85050 0.78647 1.63080 -52.09588 286.03379
2230.0000 22 0 -51.64028 0.80658 1.67324 -51.76268 333.57032
2235.0000 22 0 -51.55128 1.00415 1.69771 -51.57052 376.72165
2240.0000 22 0 -51.83933 0.86472 1.69106 -51.62277 369.62963
2245.0000 22 0 -51.84064 1.02328 1.65234 -51.92678 309.64034
2250.0000 22 0 -51.67214 0.84884 1.66671 -51.81397 325.98113
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.19654 -1.99645 4.60855
force_rgl> df(natom) 0.00000 0.00000 0.00000
2255.0000 23 0 -51.13919 2.45387 2.02995 -51.43262 382.11144
2260.0000 23 0 -53.80686 1.41993 1.86442 -52.77135 528.92075
2265.0000 23 0 -53.93537 1.15126 1.72177 -53.92502 387.49201
2270.0000 23 0 -54.29404 0.94131 1.69060 -54.17716 363.82250
2275.0000 23 0 -54.33481 0.90975 1.66000 -54.42465 316.76042
2280.0000 23 0 -54.33061 0.85664 1.67201 -54.32748 329.59539
2285.0000 23 0 -54.34770 0.95200 1.68010 -54.26207 352.62575
2290.0000 23 0 -54.68149 0.87638 1.65531 -54.46255 306.03267
2295.0000 23 0 -54.67503 0.87790 1.61811 -54.76337 255.68166
2300.0000 23 0 -54.61000 0.76269 1.62405 -54.71540 269.03407
2305.0000 23 0 -54.44454 0.70092 1.63670 -54.61309 284.19915
2310.0000 23 0 -54.43542 1.16968 1.67417 -54.31001 338.45829
2315.0000 23 0 -54.15435 1.12154 1.65756 -54.44435 309.27492
2320.0000 23 0 -54.20056 1.08415 1.70329 -54.07450 369.80442
2325.0000 23 0 -54.68522 0.74361 1.66192 -54.40913 323.28913
2330.0000 23 0 -54.09743 1.19883 1.63821 -54.60083 295.45584
2335.0000 23 0 -54.50165 0.78790 1.65944 -54.42918 322.53752
2340.0000 23 0 -54.26845 0.87539 1.65770 -54.44324 314.22643
2345.0000 23 0 -54.64927 0.94885 1.66149 -54.41253 316.00317
2350.0000 23 0 -54.60448 0.99005 1.64708 -54.52912 297.70737
2355.0000 23 0 -54.60830 0.70818 1.64560 -54.54106 307.75214
2360.0000 23 0 -54.45197 0.89159 1.66116 -54.41520 325.87817
2365.0000 23 0 -54.71422 0.84744 1.64532 -54.54337 301.16418
2370.0000 23 0 -54.23515 1.07083 1.66322 -54.39855 336.46686
2375.0000 23 0 -54.37676 1.02259 1.66507 -54.38360 330.99305
2380.0000 23 0 -54.13793 1.03060 1.69924 -54.10729 378.01605
2385.0000 23 0 -54.37935 1.01238 1.69371 -54.15198 363.43399
2390.0000 23 0 -54.55603 1.03666 1.65969 -54.42716 309.70480
2395.0000 23 0 -54.51169 0.90512 1.65167 -54.49201 312.48636
2400.0000 23 0 -54.58448 0.99378 1.63444 -54.63137 291.22510
2405.0000 23 0 -54.46623 0.90739 1.64370 -54.55643 292.67661
2410.0000 23 0 -54.85207 0.58788 1.63538 -54.62371 283.48929
2415.0000 23 0 -54.75855 0.82386 1.61383 -54.79801 261.20109
2420.0000 23 0 -54.87342 0.70949 1.60968 -54.83157 256.17856
2425.0000 23 0 -54.40013 0.93811 1.64133 -54.57564 298.18053
2430.0000 23 0 -54.23863 1.09784 1.67234 -54.32483 333.51032
2435.0000 23 0 -54.58401 0.84836 1.67159 -54.33086 332.04205
2440.0000 23 0 -54.68496 0.93257 1.63346 -54.63928 279.47369
2445.0000 23 0 -54.37598 0.80510 1.63714 -54.60947 288.30350
2450.0000 23 0 -54.45334 0.84428 1.66956 -54.34733 320.41726
2455.0000 23 0 -54.51297 0.88716 1.65132 -54.49485 311.25501
2460.0000 23 0 -54.40061 0.81052 1.64524 -54.54398 305.01225
2465.0000 23 0 -54.20700 0.89240 1.68448 -54.22666 351.45362
2470.0000 23 0 -54.20338 1.06230 1.68119 -54.25325 343.82606
2475.0000 23 0 -54.24905 0.92788 1.68187 -54.24774 349.30312
2480.0000 23 0 -54.25499 1.01217 1.69541 -54.13826 361.40437
2485.0000 23 0 -54.43661 0.78726 1.68213 -54.24560 344.08235
2490.0000 23 0 -54.21160 1.10136 1.67704 -54.28682 321.42878
2495.0000 23 0 -54.44712 1.01597 1.67349 -54.31551 333.34318
2500.0000 23 0 -54.31281 1.28269 1.67268 -54.32210 341.59761
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35235 -2.52756 2.72514
force_rgl> df(natom) 0.00000 0.00000 0.00000
2505.0000 24 0 -53.98845 1.31599 1.98632 -54.27319 350.32442
2510.0000 24 0 -55.76733 1.32055 1.87447 -55.20380 547.73475
2515.0000 24 0 -56.35835 1.36920 1.78920 -55.91324 460.11855
2520.0000 24 0 -57.00621 0.74427 1.69120 -56.72862 340.87153
2525.0000 24 0 -56.62146 1.07592 1.68175 -56.80724 319.81544
2530.0000 24 0 -57.05525 0.86937 1.67309 -56.87930 314.67454
2535.0000 24 0 -56.95755 0.91339 1.66367 -56.95771 311.31353
2540.0000 24 0 -56.69905 0.88736 1.68487 -56.78128 327.39998
2545.0000 24 0 -56.80664 0.92228 1.65344 -57.04282 298.17484
2550.0000 24 0 -56.89265 1.00677 1.68889 -56.74787 342.94846
2555.0000 24 0 -57.05341 0.77327 1.67111 -56.89579 309.76305
2560.0000 24 0 -57.15297 0.80208 1.64690 -57.09727 264.87565
2565.0000 24 0 -57.13862 0.65466 1.63223 -57.21930 258.47614
2570.0000 24 0 -56.87012 0.78843 1.66648 -56.93434 303.88574
2575.0000 24 0 -57.22751 0.65919 1.63570 -57.19041 263.16833
2580.0000 24 0 -57.05020 0.73327 1.64219 -57.13645 273.33964
2585.0000 24 0 -57.27221 0.72542 1.65735 -57.01028 288.47066
2590.0000 24 0 -57.27845 0.67946 1.61572 -57.35664 251.08588
2595.0000 24 0 -56.83292 0.77796 1.64730 -57.09394 284.96083
2600.0000 24 0 -56.58009 0.91285 1.70001 -56.65535 341.05715
2605.0000 24 0 -56.35608 1.33593 1.73183 -56.39058 382.97884
2610.0000 24 0 -56.89326 1.00343 1.69948 -56.65976 331.75982
2615.0000 24 0 -57.14876 0.75797 1.66826 -56.91955 297.65045
2620.0000 24 0 -57.00433 0.87726 1.66144 -56.97627 273.97175
2625.0000 24 0 -56.74571 0.96597 1.66346 -56.95942 289.56369
2630.0000 24 0 -56.50756 1.18326 1.69635 -56.68582 334.62598
2635.0000 24 0 -56.90616 0.90975 1.68731 -56.76099 325.53847
2640.0000 24 0 -56.58390 0.86571 1.68338 -56.79368 306.48257
2645.0000 24 0 -57.11570 0.83395 1.69294 -56.71414 323.41331
2650.0000 24 0 -57.06072 0.94874 1.64301 -57.12964 273.27454
2655.0000 24 0 -56.90101 0.96119 1.66241 -56.96815 307.62737
2660.0000 24 0 -57.10394 0.85000 1.68229 -56.80278 334.79532
2665.0000 24 0 -56.92375 1.00273 1.64766 -57.09092 290.70247
2670.0000 24 0 -56.88380 0.86163 1.67047 -56.90110 312.98821
2675.0000 24 0 -57.08421 0.80149 1.67989 -56.82278 336.70560
2680.0000 24 0 -57.18101 0.80683 1.65778 -57.00668 282.37211
2685.0000 24 0 -56.66556 0.93154 1.67928 -56.82783 299.23260
2690.0000 24 0 -56.53909 1.02685 1.67679 -56.84854 295.10267
2695.0000 24 0 -56.82716 0.68254 1.69936 -56.66079 316.32757
2700.0000 24 0 -56.96693 0.73808 1.67433 -56.86900 301.17847
2705.0000 24 0 -56.97588 0.79095 1.65766 -57.00772 273.81985
2710.0000 24 0 -56.86027 0.92516 1.66529 -56.94424 286.76426
2715.0000 24 0 -56.68826 0.87352 1.68402 -56.78835 316.11312
2720.0000 24 0 -56.66887 1.13343 1.70794 -56.58934 342.34814
2725.0000 24 0 -56.76663 0.87717 1.67217 -56.88701 292.41426
2730.0000 24 0 -56.86738 1.00686 1.69416 -56.70404 316.39195
2735.0000 24 0 -56.61804 1.27251 1.69242 -56.71847 338.18416
2740.0000 24 0 -56.75536 0.95440 1.69649 -56.68467 331.95173
2745.0000 24 0 -56.63760 1.01180 1.68953 -56.74253 317.93150
2750.0000 24 0 -56.52586 0.77601 1.70045 -56.65169 321.55218
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09592 0.25988 -1.27394
force_rgl> df(natom) 0.00000 0.00000 0.00000
2755.0000 25 0 -56.84142 1.43126 1.99182 -56.72021 326.86694
2760.0000 25 0 -58.32362 1.28975 1.86917 -57.76883 498.23039
2765.0000 25 0 -59.00232 1.08768 1.74914 -58.79509 364.75423
2770.0000 25 0 -58.83695 1.08610 1.73144 -58.94637 369.59924
2775.0000 25 0 -59.05223 0.99779 1.72996 -58.95908 375.04504
2780.0000 25 0 -59.37211 0.95996 1.69896 -59.22413 327.07882
2785.0000 25 0 -59.02819 1.01593 1.69530 -59.25542 311.28728
2790.0000 25 0 -59.03453 1.35069 1.69463 -59.26115 309.48785
2795.0000 25 0 -59.42342 0.98226 1.68527 -59.34111 300.74576
2800.0000 25 0 -59.67412 0.91411 1.66775 -59.49096 313.04646
2805.0000 25 0 -59.50436 0.93147 1.63500 -59.77092 267.06697
2810.0000 25 0 -59.78181 0.75718 1.64329 -59.70009 279.36717
2815.0000 25 0 -59.31923 0.96920 1.66349 -59.52740 289.67598
2820.0000 25 0 -59.44569 0.93949 1.68414 -59.35076 340.82656
2825.0000 25 0 -59.01824 1.14073 1.68361 -59.35536 323.76581
2830.0000 25 0 -59.15729 1.16100 1.72949 -58.96304 376.93400
2835.0000 25 0 -59.48302 0.76780 1.68006 -59.38568 311.80864
2840.0000 25 0 -59.58516 0.89944 1.65758 -59.57790 289.80277
2845.0000 25 0 -59.55130 0.79755 1.67022 -59.46981 297.94814
2850.0000 25 0 -59.45334 0.87641 1.66466 -59.51734 304.14167
2855.0000 25 0 -59.23557 1.27001 1.68891 -59.31004 334.81946
2860.0000 25 0 -59.45382 1.09104 1.67622 -59.41852 325.49385
2865.0000 25 0 -59.40396 0.83438 1.68064 -59.38077 320.22894
2870.0000 25 0 -59.46872 0.99726 1.68736 -59.32332 332.62383
2875.0000 25 0 -59.22383 1.11792 1.68858 -59.31286 318.67564
2880.0000 25 0 -59.01808 1.10547 1.71622 -59.07656 361.19359
2885.0000 25 0 -59.26155 1.28539 1.69458 -59.26153 338.75733
2890.0000 25 0 -58.91409 1.09324 1.72297 -59.01878 388.12403
2895.0000 25 0 -59.39743 0.91217 1.70568 -59.16667 364.27204
2900.0000 25 0 -59.64705 0.92744 1.66649 -59.50170 299.95978
2905.0000 25 0 -59.52229 0.97683 1.65004 -59.64236 289.05825
2910.0000 25 0 -59.63556 0.97859 1.66454 -59.51841 311.82075
2915.0000 25 0 -59.37735 1.09443 1.66759 -59.49227 312.61162
2920.0000 25 0 -59.60905 1.06247 1.67943 -59.39108 322.67167
2925.0000 25 0 -59.41450 0.97980 1.67063 -59.46632 311.31338
2930.0000 25 0 -58.96982 1.20707 1.69564 -59.25246 329.95523
2935.0000 25 0 -59.54427 0.88533 1.69742 -59.23723 350.42016
2940.0000 25 0 -59.56261 1.20107 1.66978 -59.47357 307.70550
2945.0000 25 0 -59.01417 1.14949 1.68518 -59.34195 322.41994
2950.0000 25 0 -59.38773 1.00511 1.69562 -59.25264 340.40093
2955.0000 25 0 -59.37436 0.95327 1.68761 -59.32114 340.07330
2960.0000 25 0 -59.68837 0.95108 1.67527 -59.42663 322.62006
2965.0000 25 0 -59.61584 1.01817 1.65529 -59.59747 295.04220
2970.0000 25 0 -59.40950 0.98402 1.65121 -59.63239 279.62779
2975.0000 25 0 -59.77320 0.87177 1.66057 -59.55231 303.46001
2980.0000 25 0 -59.70954 1.10789 1.63547 -59.76690 277.28529
2985.0000 25 0 -59.57381 0.98696 1.63561 -59.76576 266.56210
2990.0000 25 0 -58.90581 1.27851 1.70239 -59.19480 363.12388
2995.0000 25 0 -59.37017 1.04092 1.70469 -59.17515 352.46494
3000.0000 25 0 -59.20889 1.12051 1.67646 -59.41650 317.36445
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.09371 0.09020 -0.11468
force_rgl> df(natom) 0.00000 0.00000 0.00000
3005.0000 26 0 -59.38123 1.19259 1.99476 -59.19320 339.15796
3010.0000 26 0 -60.62236 1.88195 1.87401 -60.25295 518.98413
3015.0000 26 0 -61.03637 1.43056 1.81172 -60.79969 490.54647
3020.0000 26 0 -62.00622 1.07612 1.71096 -61.68399 356.36756
3025.0000 26 0 -61.60701 1.11275 1.70732 -61.71588 354.01151
3030.0000 26 0 -61.55509 1.03225 1.75022 -61.33941 386.02766
3035.0000 26 0 -61.72541 1.14804 1.70358 -61.74875 345.90963
3040.0000 26 0 -62.19235 0.93183 1.67214 -62.02467 305.62812
3045.0000 26 0 -61.52331 1.25471 1.67947 -61.96032 307.23907
3050.0000 26 0 -62.02425 0.92752 1.69777 -61.79975 335.82387
3055.0000 26 0 -62.15656 0.80543 1.65350 -62.18829 288.38286
3060.0000 26 0 -62.00127 0.92819 1.63835 -62.32120 264.17090
3065.0000 26 0 -62.31629 0.80321 1.65859 -62.14361 276.90616
3070.0000 26 0 -61.92655 0.95682 1.66773 -62.06332 298.63219
3075.0000 26 0 -61.87058 1.08872 1.67169 -62.02864 303.51432
3080.0000 26 0 -61.96578 0.91679 1.66939 -62.04875 308.39020
3085.0000 26 0 -62.00079 1.08222 1.68151 -61.94240 313.65951
3090.0000 26 0 -62.14783 0.94642 1.65649 -62.16198 290.35873
3095.0000 26 0 -62.15270 0.90909 1.66335 -62.10181 303.87336
3100.0000 26 0 -62.07075 1.12094 1.67453 -62.00368 320.44277
3105.0000 26 0 -62.00515 0.96244 1.66412 -62.09505 303.44389
3110.0000 26 0 -61.82304 1.10133 1.67890 -61.96532 307.45210
3115.0000 26 0 -61.76687 1.15875 1.69543 -61.82028 331.00423
3120.0000 26 0 -61.38132 1.32928 1.70958 -61.69611 344.54429
3125.0000 26 0 -61.67395 1.20009 1.73958 -61.43275 396.21029
3130.0000 26 0 -62.08130 1.05454 1.69957 -61.78390 347.38712
3135.0000 26 0 -61.97296 0.83270 1.68189 -61.93912 322.59425
3140.0000 26 0 -62.32634 0.72926 1.65100 -62.21018 269.59083
3145.0000 26 0 -62.03544 0.96333 1.66078 -62.12433 288.72388
3150.0000 26 0 -61.87135 1.27369 1.68318 -61.92775 326.33551
3155.0000 26 0 -62.31272 0.74685 1.66783 -62.06252 300.49831
3160.0000 26 0 -61.99573 1.20571 1.66231 -62.11095 282.90412
3165.0000 26 0 -61.83649 0.95114 1.71016 -61.69098 353.51249
3170.0000 26 0 -62.13432 0.97264 1.70175 -61.76479 339.43225
3175.0000 26 0 -61.82030 1.16757 1.69308 -61.84091 335.20780
3180.0000 26 0 -62.41791 0.68507 1.65861 -62.14343 287.57790
3185.0000 26 0 -62.31998 0.74988 1.63719 -62.33137 258.30058
3190.0000 26 0 -61.96342 1.09860 1.66629 -62.07604 295.75967
3195.0000 26 0 -61.97439 1.04612 1.66799 -62.06108 304.29211
3200.0000 26 0 -62.33991 0.88748 1.65852 -62.14420 289.28114
3205.0000 26 0 -61.88007 1.03815 1.66736 -62.06665 299.71536
3210.0000 26 0 -62.19367 1.00868 1.66310 -62.10402 297.90945
3215.0000 26 0 -62.33879 0.74969 1.64586 -62.25528 276.01118
3220.0000 26 0 -62.40559 0.86227 1.63420 -62.35767 271.47026
3225.0000 26 0 -62.21848 0.81324 1.64108 -62.29730 273.25217
3230.0000 26 0 -61.61758 0.93395 1.68158 -61.94181 302.75147
3235.0000 26 0 -61.70833 1.33903 1.73367 -61.48461 381.28261
3240.0000 26 0 -61.87753 0.87942 1.68040 -61.95216 328.48563
3245.0000 26 0 -61.96992 0.93587 1.68412 -61.91948 329.82695
3250.0000 26 0 -62.57210 0.73772 1.62920 -62.40155 252.58299
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.60762 1.01937 -1.87026
force_rgl> df(natom) 0.00000 0.00000 0.00000
3255.0000 27 0 -62.40087 0.92642 1.92890 -62.28992 270.62340
3260.0000 27 0 -64.04033 1.22472 1.80251 -63.42737 452.24938
3265.0000 27 0 -64.20758 1.62394 1.71226 -64.23965 347.69827
3270.0000 27 0 -64.29746 1.38485 1.71243 -64.23809 367.08345
3275.0000 27 0 -64.15343 1.31234 1.70127 -64.33861 332.67761
3280.0000 27 0 -64.35010 1.07463 1.71357 -64.22788 367.59213
3285.0000 27 0 -64.44391 1.03047 1.71432 -64.22108 353.20821
3290.0000 27 0 -63.99306 1.33208 1.71378 -64.22594 359.36829
3295.0000 27 0 -64.54539 1.05843 1.72400 -64.13400 366.78704
3300.0000 27 0 -64.73360 1.12925 1.66136 -64.69776 287.26907
3305.0000 27 0 -64.62191 1.05666 1.67118 -64.60941 311.03172
3310.0000 27 0 -64.48776 1.14312 1.69739 -64.37345 347.82253
3315.0000 27 0 -64.80786 0.75637 1.67810 -64.54713 315.71309
3320.0000 27 0 -64.59223 1.18903 1.66810 -64.63706 298.96718
3325.0000 27 0 -64.37407 1.21694 1.67359 -64.58770 309.45443
3330.0000 27 0 -64.31920 1.06909 1.71349 -64.22861 357.41725
3335.0000 27 0 -64.44402 1.19795 1.67719 -64.55532 310.46240
3340.0000 27 0 -64.51324 1.03494 1.67597 -64.56626 309.69290
3345.0000 27 0 -64.67453 1.27090 1.66344 -64.67902 293.10890
3350.0000 27 0 -64.75914 0.94316 1.65994 -64.71053 293.84221
3355.0000 27 0 -64.44521 0.89211 1.66403 -64.67369 299.94905
3360.0000 27 0 -64.35544 1.02888 1.69750 -64.37252 341.41254
3365.0000 27 0 -64.38071 1.18273 1.70880 -64.27080 342.60385
3370.0000 27 0 -64.26866 1.19468 1.72063 -64.16432 369.79788
3375.0000 27 0 -64.12883 1.48422 1.70541 -64.30135 351.14781
3380.0000 27 0 -63.92782 1.48044 1.73158 -64.06578 388.35637
3385.0000 27 0 -64.37411 1.19536 1.70487 -64.30620 352.22149
3390.0000 27 0 -64.12059 1.19762 1.72693 -64.10763 362.38579
3395.0000 27 0 -64.53860 1.14987 1.71178 -64.24398 356.93964
3400.0000 27 0 -64.46207 1.29457 1.68606 -64.47547 319.47869
3405.0000 27 0 -64.48015 1.01074 1.67406 -64.58348 301.57992
3410.0000 27 0 -64.51437 1.18348 1.69787 -64.36917 334.62084
3415.0000 27 0 -64.28148 1.31387 1.69336 -64.40980 329.00448
3420.0000 27 0 -64.51056 1.05014 1.68868 -64.45187 326.32763
3425.0000 27 0 -64.49135 1.08481 1.67469 -64.57776 309.61241
3430.0000 27 0 -64.73810 0.89297 1.68800 -64.45797 328.80798
3435.0000 27 0 -64.70994 1.08270 1.66253 -64.68723 295.01329
3440.0000 27 0 -64.59951 1.13315 1.65915 -64.71767 291.25633
3445.0000 27 0 -64.58263 1.04363 1.67380 -64.58582 295.68250
3450.0000 27 0 -64.56350 1.10785 1.68238 -64.50861 317.41876
3455.0000 27 0 -64.46834 1.06094 1.68423 -64.49196 310.64174
3460.0000 27 0 -64.39142 1.25274 1.67346 -64.58885 301.23014
3465.0000 27 0 -64.76650 1.22676 1.67273 -64.59545 296.40336
3470.0000 27 0 -64.67219 0.98922 1.67660 -64.56064 318.11136
3475.0000 27 0 -64.57696 0.78635 1.67577 -64.56807 304.35629
3480.0000 27 0 -64.49203 1.12253 1.67930 -64.53626 303.89542
3485.0000 27 0 -64.30367 1.06148 1.69006 -64.43942 322.00162
3490.0000 27 0 -64.20918 1.18114 1.71270 -64.23570 359.48130
3495.0000 27 0 -64.13440 1.30989 1.71899 -64.17909 372.82372
3500.0000 27 0 -64.37446 1.03773 1.67428 -64.58146 306.24738
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.24777 0.94386 -0.14017
force_rgl> df(natom) 0.00000 0.00000 0.00000
3505.0000 28 0 -64.48019 2.83229 1.98567 -64.29035 343.81172
3510.0000 28 0 -66.09991 1.70112 1.86059 -65.44369 510.89538
3515.0000 28 0 -66.50252 1.12579 1.77174 -66.26303 409.80679
3520.0000 28 0 -66.36933 1.18066 1.73940 -66.56119 361.00832
3525.0000 28 0 -66.78156 1.18520 1.74135 -66.54319 359.66590
3530.0000 28 0 -67.53092 0.86121 1.67905 -67.11774 305.91834
3535.0000 28 0 -67.19853 0.78765 1.66303 -67.26546 284.24371
3540.0000 28 0 -66.96239 1.25976 1.70160 -66.90980 337.69872
3545.0000 28 0 -67.01148 1.41811 1.69622 -66.95936 346.74841
3550.0000 28 0 -67.05076 1.20832 1.69688 -66.95329 343.94362
3555.0000 28 0 -67.29315 1.02276 1.64960 -67.38928 287.99103
3560.0000 28 0 -67.65560 0.82939 1.62937 -67.57578 265.91116
3565.0000 28 0 -67.52133 0.96482 1.61346 -67.72245 243.87154
3570.0000 28 0 -67.28997 1.33500 1.65394 -67.34920 286.73470
3575.0000 28 0 -66.59419 1.51938 1.68721 -67.04247 347.43709
3580.0000 28 0 -66.76351 1.21678 1.71759 -66.76233 374.03882
3585.0000 28 0 -66.74695 1.18826 1.69791 -66.94382 349.90591
3590.0000 28 0 -67.05087 1.11409 1.70222 -66.90403 358.52903
3595.0000 28 0 -67.12550 0.93722 1.66374 -67.25889 298.67790
3600.0000 28 0 -66.96922 1.30810 1.67445 -67.16009 293.60230
3605.0000 28 0 -66.85604 1.31185 1.70271 -66.89950 342.50881
3610.0000 28 0 -66.95740 1.18397 1.70007 -66.92385 342.46569
3615.0000 28 0 -67.14672 1.12336 1.69018 -67.01502 335.59977
3620.0000 28 0 -67.21206 1.12784 1.67892 -67.11886 332.80940
3625.0000 28 0 -67.04333 1.41222 1.67878 -67.12018 323.75145
3630.0000 28 0 -67.02221 0.98983 1.71507 -66.78554 372.44425
3635.0000 28 0 -67.20697 1.12356 1.67005 -67.20066 314.24522
3640.0000 28 0 -66.66788 1.21661 1.70275 -66.89914 351.33249
3645.0000 28 0 -67.01560 1.12164 1.70837 -66.84733 370.99270
3650.0000 28 0 -67.26789 0.90439 1.67545 -67.15088 308.98307
3655.0000 28 0 -66.89561 1.15577 1.68118 -67.09810 315.93556
3660.0000 28 0 -66.89482 1.22638 1.72054 -66.73515 372.39397
3665.0000 28 0 -67.09286 1.15649 1.70003 -66.92420 345.11969
3670.0000 28 0 -67.60383 1.08590 1.64828 -67.40146 286.10884
3675.0000 28 0 -67.12667 1.07628 1.62449 -67.62079 255.01781
3680.0000 28 0 -67.26374 1.02030 1.66922 -67.20834 310.48698
3685.0000 28 0 -67.26097 0.98436 1.66385 -67.25783 303.70610
3690.0000 28 0 -66.85688 1.23035 1.71173 -66.81639 367.43024
3695.0000 28 0 -66.97563 1.29694 1.70438 -66.88409 359.99305
3700.0000 28 0 -67.55622 0.84459 1.64702 -67.41300 283.46916
3705.0000 28 0 -67.10160 0.95040 1.65049 -67.38104 288.29209
3710.0000 28 0 -67.36077 0.89169 1.67268 -67.17645 316.58100
3715.0000 28 0 -66.97588 0.94910 1.68131 -67.09684 324.57639
3720.0000 28 0 -67.44432 0.95915 1.69048 -67.01227 340.43727
3725.0000 28 0 -66.58691 1.35776 1.68661 -67.04795 332.76277
3730.0000 28 0 -67.00420 1.25575 1.72472 -66.69655 389.65222
3735.0000 28 0 -66.79310 1.21953 1.70061 -66.91887 340.21504
3740.0000 28 0 -67.14283 1.08595 1.69897 -66.93402 344.54039
3745.0000 28 0 -67.40334 1.01059 1.66063 -67.28758 301.92747
3750.0000 28 0 -67.59397 0.88215 1.63799 -67.49632 276.49604
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58811 -1.25243 0.18367
force_rgl> df(natom) 0.00000 0.00000 0.00000
3755.0000 29 0 -67.21442 1.16891 1.91442 -67.47955 272.48305
3760.0000 29 0 -68.76093 1.64443 1.87968 -67.80750 527.25878
3765.0000 29 0 -69.00431 1.28554 1.76631 -68.87757 411.69000
3770.0000 29 0 -69.45552 1.25427 1.73782 -69.14649 381.52794
3775.0000 29 0 -69.78301 1.05325 1.68092 -69.68357 310.27048
3780.0000 29 0 -69.91508 1.08660 1.64802 -69.99408 267.67965
3785.0000 29 0 -68.94210 1.20130 1.71517 -69.36028 343.35042
3790.0000 29 0 -69.26680 1.11708 1.74023 -69.12375 383.80466
3795.0000 29 0 -69.48128 1.24355 1.71091 -69.40052 353.25675
3800.0000 29 0 -69.85541 1.28643 1.69409 -69.55924 329.65345
3805.0000 29 0 -69.61781 0.99682 1.66564 -69.82783 301.30884
3810.0000 29 0 -69.95003 1.11256 1.66780 -69.80739 298.84992
3815.0000 29 0 -70.06358 0.88113 1.65843 -69.89589 282.28618
3820.0000 29 0 -69.90873 1.30848 1.64161 -70.05459 260.58341
3825.0000 29 0 -69.58549 1.18062 1.67840 -69.70741 305.44940
3830.0000 29 0 -69.62636 1.13976 1.67502 -69.73924 304.86562
3835.0000 29 0 -69.54873 1.31282 1.67827 -69.70864 311.37673
3840.0000 29 0 -69.81829 1.09961 1.68648 -69.63106 313.90501
3845.0000 29 0 -69.87668 1.13470 1.68205 -69.67289 319.51086
3850.0000 29 0 -69.62703 1.09563 1.66400 -69.84327 286.33235
3855.0000 29 0 -69.61614 1.13817 1.69265 -69.57281 325.73975
3860.0000 29 0 -69.87342 0.86474 1.68960 -69.60167 311.19848
3865.0000 29 0 -69.55532 1.01599 1.69575 -69.54362 318.54201
3870.0000 29 0 -69.68589 1.08643 1.68815 -69.61537 310.10165
3875.0000 29 0 -69.59507 1.31264 1.69200 -69.57895 327.45421
3880.0000 29 0 -69.57848 1.30724 1.69075 -69.59082 317.47910
3885.0000 29 0 -69.38325 1.17484 1.70006 -69.50294 329.53359
3890.0000 29 0 -70.09939 0.97581 1.67310 -69.75739 295.79540
3895.0000 29 0 -70.16959 0.82089 1.63574 -70.11000 250.48406
3900.0000 29 0 -69.85670 0.85255 1.65077 -69.96816 270.97674
3905.0000 29 0 -69.72286 1.05384 1.67355 -69.75311 297.79188
3910.0000 29 0 -69.78057 1.09708 1.67953 -69.69667 308.65325
3915.0000 29 0 -69.83536 1.08635 1.67597 -69.73029 300.17456
3920.0000 29 0 -69.65236 1.16788 1.68619 -69.63379 325.91522
3925.0000 29 0 -69.75733 1.06014 1.69456 -69.55478 330.18877
3930.0000 29 0 -70.09383 1.06026 1.66586 -69.82576 290.79002
3935.0000 29 0 -68.95404 1.37780 1.68937 -69.60384 319.21570
3940.0000 29 0 -69.50230 1.06668 1.72004 -69.31430 357.65918
3945.0000 29 0 -69.92454 0.98889 1.66789 -69.80662 293.58691
3950.0000 29 0 -69.54629 1.23057 1.67287 -69.75956 308.30824
3955.0000 29 0 -69.88292 0.92947 1.68344 -69.65983 326.69710
3960.0000 29 0 -69.49242 1.26282 1.68845 -69.61252 319.11052
3965.0000 29 0 -69.56159 1.24682 1.69291 -69.57036 330.16126
3970.0000 29 0 -69.66153 1.38334 1.69865 -69.51621 323.42847
3975.0000 29 0 -69.63713 0.91065 1.69148 -69.58387 321.62470
3980.0000 29 0 -69.54407 1.14160 1.68982 -69.59961 317.20467
3985.0000 29 0 -69.37254 1.18078 1.72940 -69.22594 363.79353
3990.0000 29 0 -69.84074 0.96747 1.67105 -69.77673 294.42317
3995.0000 29 0 -69.73898 1.11800 1.66094 -69.87221 285.69110
4000.0000 29 0 -69.73460 0.96271 1.67539 -69.73582 300.88810
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44562 0.36607 -2.09862
force_rgl> df(natom) 0.00000 0.00000 0.00000
4005.0000 30 0 -69.13528 1.97572 1.98700 -69.31570 375.07817
4010.0000 30 0 -71.06259 1.63542 1.90276 -70.12910 526.17119
4015.0000 30 0 -71.55638 1.33234 1.77932 -71.32081 380.95867
4020.0000 30 0 -71.61127 1.15564 1.74956 -71.60823 334.66178
4025.0000 30 0 -71.89834 1.38798 1.72253 -71.86913 306.41576
4030.0000 30 0 -72.21106 1.10615 1.68955 -72.18756 268.76375
4035.0000 30 0 -72.45664 1.04466 1.66069 -72.46621 269.40949
4040.0000 30 0 -72.37394 0.84350 1.66483 -72.42621 283.67254
4045.0000 30 0 -72.26631 1.14530 1.68015 -72.27832 302.19038
4050.0000 30 0 -72.15463 1.05296 1.69520 -72.13298 326.32281
4055.0000 30 0 -71.52824 1.58385 1.73062 -71.79101 347.41952
4060.0000 30 0 -71.98107 1.08771 1.70504 -72.03798 327.63319
4065.0000 30 0 -72.01718 1.23161 1.69205 -72.16346 315.01504
4070.0000 30 0 -72.03209 1.30967 1.71688 -71.92370 356.58705
4075.0000 30 0 -72.59941 1.09965 1.66284 -72.44548 286.18605
4080.0000 30 0 -72.64501 0.77431 1.64886 -72.58043 272.07717
4085.0000 30 0 -72.64126 0.81956 1.65521 -72.51911 279.99711
4090.0000 30 0 -72.46703 0.94356 1.65665 -72.50524 279.35635
4095.0000 30 0 -71.98638 1.49295 1.68375 -72.24356 314.91887
4100.0000 30 0 -71.91605 1.21033 1.72987 -71.79834 372.12573
4105.0000 30 0 -72.13252 1.13899 1.67634 -72.31508 302.11170
4110.0000 30 0 -72.35280 1.10354 1.68605 -72.22136 312.21697
4115.0000 30 0 -72.60637 0.89099 1.65785 -72.49364 279.38659
4120.0000 30 0 -72.42809 0.88802 1.65317 -72.53884 269.52022
4125.0000 30 0 -72.43710 1.10106 1.65510 -72.52019 269.82099
4130.0000 30 0 -72.23036 1.09864 1.67309 -72.34650 293.63408
4135.0000 30 0 -72.24677 1.09779 1.69525 -72.13255 320.91558
4140.0000 30 0 -72.19282 1.02465 1.70269 -72.06075 331.94228
4145.0000 30 0 -72.39871 1.07933 1.68501 -72.23138 312.66097
4150.0000 30 0 -72.46936 1.38713 1.64919 -72.57722 272.56857
4155.0000 30 0 -72.48069 1.09578 1.65451 -72.52587 274.30611
4160.0000 30 0 -72.42713 1.08928 1.66093 -72.46393 269.72935
4165.0000 30 0 -71.84749 1.45491 1.69535 -72.13158 329.71576
4170.0000 30 0 -72.03574 1.28694 1.70714 -72.01777 329.05332
4175.0000 30 0 -72.32397 1.18819 1.69092 -72.17430 308.59443
4180.0000 30 0 -72.22427 1.17860 1.68858 -72.19695 307.79107
4185.0000 30 0 -72.08362 1.18116 1.68086 -72.27144 299.49467
4190.0000 30 0 -72.18808 1.12098 1.71010 -71.98918 346.31505
4195.0000 30 0 -72.23364 1.28649 1.66616 -72.41340 292.46934
4200.0000 30 0 -72.13708 1.14051 1.69853 -72.10092 332.74283
4205.0000 30 0 -72.40265 0.98741 1.69016 -72.18169 316.92149
4210.0000 30 0 -72.57602 0.93510 1.67389 -72.33881 284.72118
4215.0000 30 0 -72.08698 1.44994 1.68254 -72.25521 308.93741
4220.0000 30 0 -72.25506 0.93068 1.67511 -72.32696 298.93960
4225.0000 30 0 -72.30508 0.97642 1.68873 -72.19547 316.40737
4230.0000 30 0 -72.33693 1.40289 1.68307 -72.25016 304.44442
4235.0000 30 0 -71.54971 1.22261 1.70954 -71.99456 338.97869
4240.0000 30 0 -72.15901 1.23339 1.72554 -71.84009 361.23092
4245.0000 30 0 -72.32815 0.97899 1.69106 -72.17302 321.07156
4250.0000 30 0 -71.65168 1.27732 1.71786 -71.91428 349.92187
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.86326 -1.46488 -1.59054
force_rgl> df(natom) 0.00000 0.00000 0.00000
4255.0000 31 0 -72.16195 1.90911 2.00581 -71.65614 411.68400
4260.0000 31 0 -73.95833 1.68596 1.87488 -72.94816 483.84584
4265.0000 31 0 -73.86149 1.74739 1.77734 -73.91073 398.70072
4270.0000 31 0 -74.09615 1.53150 1.77420 -73.94167 390.92310
4275.0000 31 0 -74.59054 1.20223 1.74520 -74.22791 347.96080
4280.0000 31 0 -74.66265 1.26283 1.72910 -74.38677 331.22601
4285.0000 31 0 -74.19963 1.60232 1.70778 -74.59719 313.05422
4290.0000 31 0 -74.78241 1.28289 1.70736 -74.60133 342.43374
4295.0000 31 0 -74.82994 0.90577 1.69564 -74.71694 313.66958
4300.0000 31 0 -74.81196 1.02202 1.69319 -74.74114 312.47671
4305.0000 31 0 -75.09700 1.01644 1.67487 -74.92196 283.40876
4310.0000 31 0 -74.90220 1.04794 1.66768 -74.99290 287.08984
4315.0000 31 0 -74.95039 1.05526 1.66958 -74.97417 292.22462
4320.0000 31 0 -75.05048 1.19623 1.66712 -74.99838 287.27818
4325.0000 31 0 -75.30979 1.10499 1.64054 -75.26070 255.12004
4330.0000 31 0 -75.11520 1.23223 1.66084 -75.06034 279.92585
4335.0000 31 0 -75.09112 1.28521 1.65808 -75.08760 272.76057
4340.0000 31 0 -74.93968 1.00488 1.65978 -75.07084 275.77386
4345.0000 31 0 -75.04374 1.17944 1.68604 -74.81172 308.25910
4350.0000 31 0 -74.54694 1.18487 1.69502 -74.72310 310.11420
4355.0000 31 0 -74.84981 1.27639 1.69599 -74.71355 307.82284
4360.0000 31 0 -74.88193 1.15158 1.69879 -74.68588 310.93931
4365.0000 31 0 -75.03921 1.25700 1.66160 -75.05291 267.62559
4370.0000 31 0 -75.05517 0.97087 1.64760 -75.19102 257.80147
4375.0000 31 0 -74.93690 1.10226 1.66628 -75.00666 278.56460
4380.0000 31 0 -75.08065 1.05658 1.67556 -74.91509 283.83000
4385.0000 31 0 -74.73330 1.15172 1.67648 -74.90608 291.16515
4390.0000 31 0 -74.69082 1.24237 1.69841 -74.68958 321.85340
4395.0000 31 0 -74.37855 1.21108 1.71323 -74.54336 328.76311
4400.0000 31 0 -74.48744 1.26498 1.72139 -74.46285 327.13065
4405.0000 31 0 -74.73299 1.31791 1.70987 -74.57657 317.39529
4410.0000 31 0 -74.66478 1.27908 1.68810 -74.79135 307.63143
4415.0000 31 0 -74.70557 1.36238 1.70218 -74.65247 323.36548
4420.0000 31 0 -74.68922 1.01468 1.69728 -74.70083 319.81358
4425.0000 31 0 -74.72058 1.33791 1.69128 -74.76003 315.13687
4430.0000 31 0 -74.75329 1.18435 1.69597 -74.71370 323.93036
4435.0000 31 0 -74.96135 0.98841 1.67905 -74.88063 299.13783
4440.0000 31 0 -74.89684 1.23731 1.67764 -74.89456 299.72844
4445.0000 31 0 -74.81695 1.16898 1.66048 -75.06392 285.22811
4450.0000 31 0 -75.07426 0.93448 1.67505 -74.92011 295.27809
4455.0000 31 0 -74.66409 1.33970 1.67478 -74.92284 295.80408
4460.0000 31 0 -74.99419 1.11343 1.69985 -74.67538 329.19463
4465.0000 31 0 -74.96896 1.11990 1.68056 -74.86578 305.80007
4470.0000 31 0 -74.89844 1.06941 1.66271 -75.04196 286.17675
4475.0000 31 0 -74.78512 1.20522 1.68389 -74.83288 291.55940
4480.0000 31 0 -74.80525 1.52329 1.69610 -74.71238 317.37261
4485.0000 31 0 -74.39238 1.27822 1.68709 -74.80135 312.49710
4490.0000 31 0 -74.75475 1.03425 1.68898 -74.78272 311.53667
4495.0000 31 0 -74.53519 1.31830 1.71888 -74.48767 343.60567
4500.0000 31 0 -74.38018 1.33168 1.72299 -74.44706 354.14144
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83356 -1.87663 -0.51341
force_rgl> df(natom) 0.00000 0.00000 0.00000
4505.0000 32 0 -74.42003 1.12422 1.98926 -74.34951 352.47319
4510.0000 32 0 -75.77957 1.34013 1.92202 -75.02726 494.39795
4515.0000 32 0 -76.71950 1.43354 1.80540 -76.20276 408.00221
4520.0000 32 0 -77.05920 1.35113 1.74954 -76.76577 364.94833
4525.0000 32 0 -77.31571 1.11811 1.71054 -77.15884 308.36728
4530.0000 32 0 -77.19233 1.26884 1.69817 -77.28353 295.97076
4535.0000 32 0 -77.15218 1.37041 1.69422 -77.32334 286.12895
4540.0000 32 0 -77.02747 1.34665 1.70949 -77.16941 312.63457
4545.0000 32 0 -77.51237 1.19826 1.70851 -77.17930 325.06917
4550.0000 32 0 -77.39776 1.29494 1.68191 -77.44742 294.89865
4555.0000 32 0 -77.26915 1.20275 1.70639 -77.20070 339.69005
4560.0000 32 0 -77.54408 1.01137 1.68498 -77.41645 302.40941
4565.0000 32 0 -77.55937 1.01102 1.67795 -77.48731 289.11451
4570.0000 32 0 -77.46976 1.18222 1.65967 -77.67162 265.64385
4575.0000 32 0 -77.69681 1.08492 1.65777 -77.69076 273.54343
4580.0000 32 0 -77.87652 0.99180 1.65246 -77.74426 274.91820
4585.0000 32 0 -77.83205 1.20939 1.65225 -77.74636 267.29643
4590.0000 32 0 -77.45023 1.43120 1.66268 -77.64120 276.07275
4595.0000 32 0 -77.12038 1.69356 1.66315 -77.63648 285.12867
4600.0000 32 0 -77.03988 1.67877 1.70414 -77.22339 332.56878
4605.0000 32 0 -77.18904 1.29046 1.71903 -77.07331 353.69947
4610.0000 32 0 -77.76150 1.09524 1.69218 -77.34385 315.75509
4615.0000 32 0 -77.97928 1.01807 1.64265 -77.84311 257.31256
4620.0000 32 0 -77.72872 0.96893 1.64344 -77.83521 254.87849
4625.0000 32 0 -77.56686 1.28637 1.66561 -77.61175 286.30639
4630.0000 32 0 -77.59347 1.35344 1.67865 -77.48025 300.64817
4635.0000 32 0 -77.43825 1.37280 1.67698 -77.49711 298.53602
4640.0000 32 0 -77.84549 1.04203 1.67572 -77.50980 307.31362
4645.0000 32 0 -77.28807 1.18607 1.66435 -77.62444 284.11623
4650.0000 32 0 -77.79428 0.91968 1.66854 -77.58221 289.91753
4655.0000 32 0 -77.89931 0.97739 1.64728 -77.79649 266.18374
4660.0000 32 0 -77.65956 1.07866 1.64220 -77.84768 258.08501
4665.0000 32 0 -77.95365 1.03435 1.66299 -77.63814 284.47201
4670.0000 32 0 -77.45665 1.35465 1.63897 -77.88019 255.21307
4675.0000 32 0 -77.43794 1.46627 1.67537 -77.51333 298.69748
4680.0000 32 0 -77.40110 1.07024 1.66132 -77.65499 282.48803
4685.0000 32 0 -77.16104 0.98706 1.69348 -77.33083 315.25297
4690.0000 32 0 -77.27039 1.38682 1.72335 -77.02973 354.37582
4695.0000 32 0 -77.50071 1.06596 1.68962 -77.36969 318.58353
4700.0000 32 0 -77.09719 1.39721 1.69106 -77.35515 314.72294
4705.0000 32 0 -77.54945 1.40248 1.67565 -77.51054 309.49522
4710.0000 32 0 -77.79236 1.11273 1.67605 -77.50647 299.88652
4715.0000 32 0 -77.24106 1.16210 1.67168 -77.55053 300.52116
4720.0000 32 0 -77.15782 1.30436 1.72843 -76.97848 362.58624
4725.0000 32 0 -77.50045 1.22257 1.69916 -77.27352 326.64462
4730.0000 32 0 -77.62018 1.08831 1.66431 -77.62484 288.99551
4735.0000 32 0 -77.56921 1.20637 1.68754 -77.39067 314.49668
4740.0000 32 0 -77.26688 1.57527 1.68115 -77.45512 307.52271
4745.0000 32 0 -77.11148 1.47080 1.69240 -77.34164 328.59175
4750.0000 32 0 -77.38757 1.46040 1.69694 -77.29594 330.63015
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.96379 0.16763 0.73873
force_rgl> df(natom) 0.00000 0.00000 0.00000
4755.0000 33 0 -77.58608 1.85476 1.94697 -77.31907 336.16686
4760.0000 33 0 -78.52135 1.70778 1.86841 -78.12726 472.69213
4765.0000 33 0 -78.85638 1.69795 1.79297 -78.90347 391.73987
4770.0000 33 0 -79.69667 1.36066 1.74983 -79.34727 346.89757
4775.0000 33 0 -79.78598 1.27755 1.70214 -79.83793 295.92148
4780.0000 33 0 -79.55624 0.98637 1.72693 -79.58288 321.22836
4785.0000 33 0 -79.31661 1.96072 1.73440 -79.50598 341.61434
4790.0000 33 0 -79.65000 1.43345 1.73131 -79.53784 348.96044
4795.0000 33 0 -79.62498 1.26257 1.70223 -79.83699 326.91830
4800.0000 33 0 -80.25442 1.18649 1.68506 -80.01367 299.50698
4805.0000 33 0 -79.98445 1.37346 1.69185 -79.94376 303.69556
4810.0000 33 0 -80.00108 1.24492 1.69415 -79.92015 306.59608
4815.0000 33 0 -79.63874 1.38215 1.70079 -79.85181 321.22068
4820.0000 33 0 -79.25329 1.49796 1.75478 -79.29637 367.79786
4825.0000 33 0 -80.07980 1.16503 1.69189 -79.94333 312.79545
4830.0000 33 0 -80.24209 1.26658 1.67423 -80.12509 292.45298
4835.0000 33 0 -80.35459 1.01039 1.66756 -80.19371 278.92108
4840.0000 33 0 -80.03865 1.38675 1.66938 -80.17498 284.51992
4845.0000 33 0 -80.10239 1.35636 1.68201 -80.04504 312.25632
4850.0000 33 0 -79.96515 1.27194 1.68644 -79.99939 309.48756
4855.0000 33 0 -79.56791 1.27501 1.70791 -79.77852 331.07875
4860.0000 33 0 -79.58957 1.34929 1.70992 -79.75787 336.23030
4865.0000 33 0 -79.62671 1.25266 1.72378 -79.61524 348.08683
4870.0000 33 0 -79.90314 1.24632 1.69936 -79.86648 323.50066
4875.0000 33 0 -79.78718 1.37228 1.70405 -79.81827 330.67284
4880.0000 33 0 -79.29944 1.60504 1.72572 -79.59528 341.24154
4885.0000 33 0 -79.61153 1.32217 1.72834 -79.56834 344.70220
4890.0000 33 0 -79.70043 1.46770 1.69206 -79.94161 301.72151
4895.0000 33 0 -80.18653 1.38918 1.68762 -79.98732 307.42197
4900.0000 33 0 -79.58355 1.54982 1.68107 -80.05474 305.82135
4905.0000 33 0 -79.59345 1.50177 1.71098 -79.74698 333.37728
4910.0000 33 0 -79.70003 1.33527 1.73001 -79.55119 363.71740
4915.0000 33 0 -79.95519 1.36956 1.68120 -80.05340 302.00050
4920.0000 33 0 -79.91652 1.36705 1.67705 -80.09600 293.94091
4925.0000 33 0 -80.13634 1.08472 1.68907 -79.97241 310.22980
4930.0000 33 0 -79.76181 1.32570 1.72735 -79.57856 347.97592
4935.0000 33 0 -80.06266 1.07389 1.70177 -79.84173 319.76372
4940.0000 33 0 -80.00331 1.10304 1.68076 -80.05791 299.62049
4945.0000 33 0 -80.15972 1.20028 1.68019 -80.06372 300.21522
4950.0000 33 0 -80.05243 1.28878 1.68635 -80.00040 302.06208
4955.0000 33 0 -80.57364 0.90429 1.65509 -80.32200 266.81274
4960.0000 33 0 -80.44983 1.08145 1.61977 -80.68539 227.37074
4965.0000 33 0 -80.05937 1.27160 1.67195 -80.14854 290.82995
4970.0000 33 0 -79.96316 1.04044 1.67726 -80.09394 299.83788
4975.0000 33 0 -79.95445 1.45973 1.67434 -80.12394 291.55800
4980.0000 33 0 -80.28897 1.13549 1.67763 -80.09010 292.00988
4985.0000 33 0 -80.03369 1.35649 1.66701 -80.19934 285.10178
4990.0000 33 0 -80.01883 1.31722 1.66270 -80.24364 278.81387
4995.0000 33 0 -79.89676 1.22565 1.68552 -80.00894 306.32418
5000.0000 33 0 -79.77741 1.37290 1.70292 -79.82990 318.76793
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12534 -1.42309 -2.44526
force_rgl> df(natom) 0.00000 0.00000 0.00000
5005.0000 34 0 -79.75491 1.55237 1.96836 -79.64189 347.39677
5010.0000 34 0 -82.00497 1.56024 1.84915 -80.89303 454.61592
5015.0000 34 0 -82.21900 1.67384 1.73009 -82.14254 329.34482
5020.0000 34 0 -82.42849 1.21280 1.71402 -82.31120 309.24052
5025.0000 34 0 -82.58566 1.18764 1.70872 -82.36682 309.28841
5030.0000 34 0 -82.87750 1.26472 1.67362 -82.73524 283.87682
5035.0000 34 0 -82.69402 1.09030 1.67715 -82.69812 279.47271
5040.0000 34 0 -82.34550 1.47843 1.71681 -82.28190 331.40348
5045.0000 34 0 -82.19973 1.47380 1.70963 -82.35731 321.02959
5050.0000 34 0 -82.20070 1.60565 1.70261 -82.43092 317.44893
5055.0000 34 0 -82.20538 1.49217 1.72781 -82.16652 346.34017
5060.0000 34 0 -82.21963 1.62374 1.71698 -82.28014 333.45161
5065.0000 34 0 -82.31072 1.43078 1.72686 -82.17641 349.44393
5070.0000 34 0 -82.42753 1.31003 1.71472 -82.30384 324.20565
5075.0000 34 0 -82.69076 1.04399 1.68296 -82.63720 289.06384
5080.0000 34 0 -82.59401 0.97123 1.67811 -82.68809 278.33869
5085.0000 34 0 -82.30080 1.60579 1.70179 -82.43955 313.35683
5090.0000 34 0 -82.03417 1.54480 1.72663 -82.17889 347.07574
5095.0000 34 0 -81.49592 1.58295 1.76383 -81.78850 394.69534
5100.0000 34 0 -82.08979 1.29759 1.76584 -81.76734 385.82133
5105.0000 34 0 -82.06026 1.73188 1.73931 -82.04583 353.07153
5110.0000 34 0 -82.04553 1.30891 1.72955 -82.14818 349.31468
5115.0000 34 0 -82.41680 1.30811 1.70195 -82.43793 314.72093
5120.0000 34 0 -82.45929 1.28606 1.71051 -82.34809 315.88525
5125.0000 34 0 -82.51727 1.14476 1.69158 -82.54675 298.22904
5130.0000 34 0 -82.39858 1.37368 1.71773 -82.27229 322.75110
5135.0000 34 0 -82.39696 1.39257 1.69584 -82.50206 292.62516
5140.0000 34 0 -82.22343 1.15772 1.70242 -82.43294 303.84009
5145.0000 34 0 -82.39665 1.25947 1.71278 -82.32421 326.03791
5150.0000 34 0 -81.98800 1.35520 1.74564 -81.97933 349.31082
5155.0000 34 0 -82.57152 1.34561 1.71279 -82.32414 317.76883
5160.0000 34 0 -82.35260 1.41932 1.70833 -82.37093 310.91597
5165.0000 34 0 -82.60159 1.15912 1.70900 -82.36388 301.93043
5170.0000 34 0 -82.33746 1.36257 1.67433 -82.72776 272.08055
5175.0000 34 0 -82.21708 1.74120 1.72107 -82.23720 330.55168
5180.0000 34 0 -82.00539 1.57843 1.72788 -82.16572 338.20055
5185.0000 34 0 -82.81151 1.14706 1.70878 -82.36624 309.89092
5190.0000 34 0 -82.61895 1.10889 1.68470 -82.61889 285.72223
5195.0000 34 0 -83.11691 1.04649 1.66707 -82.80391 281.67600
5200.0000 34 0 -82.95710 1.27176 1.64707 -83.01388 249.20741
5205.0000 34 0 -83.02448 0.92656 1.65887 -82.89003 270.90987
5210.0000 34 0 -82.65072 1.34707 1.66001 -82.87801 269.40362
5215.0000 34 0 -83.03718 1.13353 1.65711 -82.90849 267.85050
5220.0000 34 0 -82.29966 1.29348 1.67174 -82.75494 285.34271
5225.0000 34 0 -82.67455 1.16945 1.68529 -82.61276 291.83067
5230.0000 34 0 -82.74625 1.29364 1.68276 -82.63924 299.53639
5235.0000 34 0 -82.87734 1.07232 1.65763 -82.90307 264.50408
5240.0000 34 0 -83.24499 0.86415 1.64910 -82.99252 250.42946
5245.0000 34 0 -83.03600 1.13036 1.66026 -82.87539 268.54046
5250.0000 34 0 -82.44382 1.60527 1.66999 -82.77335 281.93700
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79444 -0.31906 1.63674
force_rgl> df(natom) 0.00000 0.00000 0.00000
5255.0000 35 0 -82.58326 2.04340 1.94649 -82.42280 338.58385
5260.0000 35 0 -84.10691 1.30420 1.85641 -83.38669 461.27787
5265.0000 35 0 -84.42842 2.00503 1.75126 -84.51169 366.73413
5270.0000 35 0 -85.09369 1.29679 1.73769 -84.65694 368.85693
5275.0000 35 0 -85.13109 1.36845 1.69667 -85.09587 312.65686
5280.0000 35 0 -84.69932 1.70522 1.71461 -84.90387 323.98194
5285.0000 35 0 -85.35180 1.32418 1.68450 -85.22607 289.75871
5290.0000 35 0 -85.45754 1.08543 1.69690 -85.09341 296.97784
5295.0000 35 0 -84.99830 1.55139 1.68993 -85.16799 294.73401
5300.0000 35 0 -85.09863 1.38581 1.70914 -84.96241 314.11890
5305.0000 35 0 -85.40782 1.17310 1.67501 -85.32759 283.02368
5310.0000 35 0 -85.35734 1.21452 1.66643 -85.41939 270.03185
5315.0000 35 0 -85.48772 1.18475 1.66678 -85.41569 272.45755
5320.0000 35 0 -85.06921 1.40756 1.68381 -85.23346 293.95072
5325.0000 35 0 -85.09383 1.33589 1.68391 -85.23242 288.35220
5330.0000 35 0 -85.29532 1.30404 1.68872 -85.18089 281.95549
5335.0000 35 0 -85.03599 1.53202 1.67667 -85.30988 289.10047
5340.0000 35 0 -85.28563 1.21761 1.68749 -85.19402 292.91502
5345.0000 35 0 -85.57547 1.15571 1.66698 -85.41356 268.02772
5350.0000 35 0 -85.08818 1.06381 1.69136 -85.15266 297.76708
5355.0000 35 0 -85.52847 1.01904 1.66918 -85.38994 270.87744
5360.0000 35 0 -84.89034 1.67003 1.66958 -85.38571 273.82370
5365.0000 35 0 -85.17780 1.20655 1.68686 -85.20077 304.47210
5370.0000 35 0 -85.63999 1.06184 1.67217 -85.35798 282.56535
5375.0000 35 0 -85.46315 1.33924 1.64780 -85.61878 256.31038
5380.0000 35 0 -85.26791 1.30227 1.67453 -85.33269 285.30566
5385.0000 35 0 -85.41993 1.22635 1.67605 -85.31642 283.03779
5390.0000 35 0 -85.30652 1.32712 1.65974 -85.49101 265.37819
5395.0000 35 0 -85.18367 1.41530 1.66621 -85.42172 275.43350
5400.0000 35 0 -84.81876 1.18617 1.71554 -84.89396 314.80295
5405.0000 35 0 -84.86564 1.29428 1.71614 -84.88756 311.76815
5410.0000 35 0 -85.28439 1.01663 1.70224 -85.03621 303.25752
5415.0000 35 0 -84.79515 1.14214 1.69242 -85.14137 292.92850
5420.0000 35 0 -84.17248 1.83508 1.75877 -84.43137 357.90569
5425.0000 35 0 -84.68008 1.63582 1.75211 -84.50260 363.74530
5430.0000 35 0 -84.83971 1.71629 1.71769 -84.87090 322.04851
5435.0000 35 0 -84.70493 1.30646 1.73837 -84.64967 351.29212
5440.0000 35 0 -85.03959 0.98591 1.72018 -84.84431 319.45866
5445.0000 35 0 -85.40129 1.26113 1.68577 -85.21249 279.27209
5450.0000 35 0 -84.83174 1.51220 1.70987 -84.95457 307.15398
5455.0000 35 0 -85.19686 1.14830 1.71031 -84.94991 315.26515
5460.0000 35 0 -85.20697 1.40338 1.69712 -85.09098 296.12452
5465.0000 35 0 -85.02019 1.30260 1.68884 -85.17968 291.48495
5470.0000 35 0 -84.97511 1.27774 1.70493 -85.00742 300.54683
5475.0000 35 0 -84.87173 1.27072 1.72498 -84.79298 316.41273
5480.0000 35 0 -85.00981 1.21179 1.71810 -84.86650 296.37122
5485.0000 35 0 -84.67249 1.57020 1.73276 -84.70970 335.54394
5490.0000 35 0 -85.02276 1.45621 1.71593 -84.88974 327.07711
5495.0000 35 0 -84.94257 1.45023 1.71551 -84.89423 331.17163
5500.0000 35 0 -84.80712 1.58271 1.70908 -84.96305 322.04025
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98675 -3.15896 0.57433
force_rgl> df(natom) 0.00000 0.00000 0.00000
5505.0000 36 0 -84.77905 1.91879 1.95727 -84.86042 338.01393
5510.0000 36 0 -86.82582 1.86358 1.84082 -86.13007 417.02888
5515.0000 36 0 -86.71526 1.96910 1.76748 -86.92969 345.02146
5520.0000 36 0 -86.98405 1.40026 1.76686 -86.93646 372.34688
5525.0000 36 0 -87.16253 1.71031 1.73454 -87.28877 320.68578
5530.0000 36 0 -87.24925 1.60571 1.71496 -87.50226 306.30334
5535.0000 36 0 -87.64632 1.33941 1.72489 -87.39395 323.63294
5540.0000 36 0 -87.70171 0.84474 1.69371 -87.73392 282.89833
5545.0000 36 0 -87.71692 1.37792 1.70484 -87.61259 309.18250
5550.0000 36 0 -87.40712 1.40349 1.71142 -87.54089 312.85420
5555.0000 36 0 -87.42604 1.49024 1.71692 -87.48091 319.40086
5560.0000 36 0 -87.32438 1.70556 1.71108 -87.54460 318.27317
5565.0000 36 0 -87.31029 1.53622 1.72275 -87.41737 323.92771
5570.0000 36 0 -87.82945 1.20332 1.71242 -87.52999 301.38376
5575.0000 36 0 -87.55461 1.33707 1.68250 -87.85616 271.10246
5580.0000 36 0 -87.40178 1.33860 1.73204 -87.31601 332.54337
5585.0000 36 0 -87.92942 1.10952 1.70230 -87.64033 313.22481
5590.0000 36 0 -87.48702 1.47403 1.68315 -87.84913 281.63016
5595.0000 36 0 -87.85556 1.33105 1.68448 -87.83455 277.61321
5600.0000 36 0 -87.88275 1.31518 1.69021 -87.77206 287.83066
5605.0000 36 0 -87.47707 1.53852 1.69474 -87.72272 301.47277
5610.0000 36 0 -87.56185 1.46484 1.71894 -87.45888 329.33069
5615.0000 36 0 -87.55951 1.50867 1.68681 -87.80918 281.21173
5620.0000 36 0 -87.66627 1.53527 1.70441 -87.61724 306.55328
5625.0000 36 0 -87.75021 1.08119 1.69026 -87.77160 297.92832
5630.0000 36 0 -87.50052 1.43167 1.70298 -87.63285 311.12222
5635.0000 36 0 -86.94630 1.50125 1.73142 -87.32284 347.23260
5640.0000 36 0 -87.70922 1.32412 1.72420 -87.40148 328.15274
5645.0000 36 0 -87.89383 1.20288 1.69424 -87.72822 293.85541
5650.0000 36 0 -87.32128 1.46428 1.69533 -87.71627 281.32501
5655.0000 36 0 -87.43932 1.61532 1.71449 -87.50741 319.97330
5660.0000 36 0 -87.82636 1.32419 1.71555 -87.49583 309.30540
5665.0000 36 0 -87.63182 1.64473 1.68502 -87.82871 295.64405
5670.0000 36 0 -87.12315 1.81420 1.69887 -87.67764 305.58246
5675.0000 36 0 -87.48719 1.43641 1.72015 -87.44571 327.01278
5680.0000 36 0 -87.43944 1.50196 1.72751 -87.36546 326.27245
5685.0000 36 0 -87.52844 1.71075 1.72985 -87.33997 334.64060
5690.0000 36 0 -87.49649 1.34465 1.71504 -87.50140 317.64715
5695.0000 36 0 -87.69881 1.54847 1.68748 -87.80182 289.74420
5700.0000 36 0 -87.69628 1.49741 1.68598 -87.81819 298.49809
5705.0000 36 0 -87.89284 1.28410 1.69063 -87.76756 290.84413
5710.0000 36 0 -88.07127 1.00566 1.67101 -87.98145 270.21707
5715.0000 36 0 -87.85466 0.95175 1.66722 -88.02277 262.47630
5720.0000 36 0 -87.66035 1.20708 1.72596 -87.38238 331.51630
5725.0000 36 0 -87.38818 1.44231 1.68315 -87.84904 271.43909
5730.0000 36 0 -87.21381 1.63369 1.73148 -87.32219 330.95828
5735.0000 36 0 -87.75728 1.33728 1.72436 -87.39983 306.77416
5740.0000 36 0 -87.61372 1.25980 1.69180 -87.75475 289.53070
5745.0000 36 0 -87.61768 1.29840 1.70606 -87.59925 319.92935
5750.0000 36 0 -87.61126 1.51237 1.70447 -87.61666 311.33012
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52605 -1.02616 -2.27801
force_rgl> df(natom) 0.00000 0.00000 0.00000
5755.0000 37 0 -87.89307 3.20617 1.92698 -87.75341 303.98657
5760.0000 37 0 -89.54940 1.73778 1.82792 -88.85326 416.19096
5765.0000 37 0 -90.60010 1.24500 1.70817 -90.18299 299.99391
5770.0000 37 0 -89.99499 1.51389 1.69131 -90.37019 283.05530
5775.0000 37 0 -90.49489 1.03173 1.70084 -90.26437 293.77174
5780.0000 37 0 -90.36471 1.19275 1.69894 -90.28552 287.49592
5785.0000 37 0 -90.33745 1.46165 1.70093 -90.26334 293.22809
5790.0000 37 0 -90.25122 1.17370 1.71539 -90.10278 308.17647
5795.0000 37 0 -90.01536 1.35799 1.71064 -90.15553 306.03920
5800.0000 37 0 -89.97660 1.50812 1.72248 -90.02407 315.10585
5805.0000 37 0 -89.86455 1.57705 1.72959 -89.94510 320.90183
5810.0000 37 0 -90.43042 1.33289 1.70692 -90.19684 293.19386
5815.0000 37 0 -89.77144 1.50967 1.70621 -90.20472 296.75765
5820.0000 37 0 -90.08766 1.26340 1.73210 -89.91726 329.61318
5825.0000 37 0 -90.20051 1.53772 1.70239 -90.24719 296.93499
5830.0000 37 0 -90.76511 1.16632 1.67662 -90.53330 277.31128
5835.0000 37 0 -90.16159 1.53647 1.68999 -90.38484 286.99707
5840.0000 37 0 -90.27430 1.47312 1.70726 -90.19312 305.48425
5845.0000 37 0 -89.84983 1.70967 1.72828 -89.95969 333.72635
5850.0000 37 0 -90.23504 1.62225 1.71452 -90.11247 322.07130
5855.0000 37 0 -90.24364 1.58805 1.71502 -90.10689 321.64705
5860.0000 37 0 -90.52046 1.21852 1.70035 -90.26983 306.74434
5865.0000 37 0 -90.74642 1.13413 1.67940 -90.50243 283.75804
5870.0000 37 0 -90.41929 1.29159 1.66984 -90.60863 271.20752
5875.0000 37 0 -89.73395 1.39486 1.70950 -90.16822 316.49414
5880.0000 37 0 -89.76135 1.56843 1.76073 -89.59943 375.50014
5885.0000 37 0 -90.40729 1.21898 1.72027 -90.04861 334.21384
5890.0000 37 0 -90.28209 1.56539 1.67935 -90.50297 296.53430
5895.0000 37 0 -90.07657 1.43071 1.69870 -90.28809 305.04085
5900.0000 37 0 -90.35538 1.27243 1.70561 -90.21143 305.88361
5905.0000 37 0 -90.63165 1.21095 1.68635 -90.42523 293.42391
5910.0000 37 0 -90.61273 1.39798 1.67007 -90.60603 267.72278
5915.0000 37 0 -89.78515 1.55903 1.69810 -90.29475 303.52697
5920.0000 37 0 -89.83709 1.90162 1.73502 -89.88481 343.30924
5925.0000 37 0 -90.12563 1.61117 1.72664 -89.97793 334.82714
5930.0000 37 0 -90.44967 1.53000 1.68497 -90.44064 285.91447
5935.0000 37 0 -90.15979 1.30394 1.69731 -90.30362 300.13276
5940.0000 37 0 -90.43411 1.52422 1.72329 -90.01513 330.70527
5945.0000 37 0 -90.33038 1.61143 1.70971 -90.16587 311.12967
5950.0000 37 0 -90.22258 1.39735 1.70015 -90.27199 305.63943
5955.0000 37 0 -90.30570 1.32719 1.71122 -90.14914 305.83683
5960.0000 37 0 -90.54506 1.16927 1.68941 -90.39127 282.47959
5965.0000 37 0 -90.32435 1.43323 1.68698 -90.41824 274.92195
5970.0000 37 0 -90.69493 1.29015 1.67788 -90.51937 266.58488
5975.0000 37 0 -90.17003 1.27248 1.72050 -90.04603 315.40691
5980.0000 37 0 -90.51684 1.20664 1.70122 -90.26012 300.29124
5985.0000 37 0 -90.68558 1.09967 1.67335 -90.56958 268.34747
5990.0000 37 0 -90.38302 1.61207 1.69516 -90.32744 296.33119
5995.0000 37 0 -90.33319 1.25572 1.70390 -90.23037 308.40971
6000.0000 37 0 -90.29389 1.45850 1.70219 -90.24937 310.80190
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39146 1.45704 -2.56150
force_rgl> df(natom) 0.00000 0.00000 0.00000
6005.0000 38 0 -90.26951 2.88470 1.94317 -90.13658 333.44666
6010.0000 38 0 -91.63144 2.15263 1.87400 -90.91841 461.48721
6015.0000 38 0 -92.20655 1.83956 1.75889 -92.21946 370.68052
6020.0000 38 0 -92.79914 1.41200 1.72009 -92.65804 321.54304
6025.0000 38 0 -92.80337 1.64013 1.69760 -92.91219 302.22748
6030.0000 38 0 -92.22346 1.89724 1.71202 -92.74920 312.01035
6035.0000 38 0 -92.79953 1.22010 1.73805 -92.45508 352.12452
6040.0000 38 0 -92.81900 1.23570 1.70258 -92.85599 300.52531
6045.0000 38 0 -92.62821 1.51774 1.71053 -92.76606 310.66644
6050.0000 38 0 -93.02278 1.23709 1.72011 -92.65782 332.65666
6055.0000 38 0 -93.07049 1.38856 1.67999 -93.11125 279.58139
6060.0000 38 0 -93.39198 1.44405 1.67440 -93.17451 275.11974
6065.0000 38 0 -93.04743 1.61499 1.67838 -93.12945 279.56957
6070.0000 38 0 -93.23062 1.19924 1.67200 -93.20153 280.34632
6075.0000 38 0 -92.99333 1.25000 1.66492 -93.28158 269.30042
6080.0000 38 0 -92.65171 1.59579 1.70311 -92.84998 312.03418
6085.0000 38 0 -92.83129 1.38297 1.70339 -92.84677 303.95909
6090.0000 38 0 -92.75065 1.67968 1.70484 -92.83044 302.63872
6095.0000 38 0 -93.03451 1.38316 1.69440 -92.94840 298.34052
6100.0000 38 0 -93.05886 1.46245 1.68705 -93.03148 284.25984
6105.0000 38 0 -92.93290 1.56543 1.71520 -92.71328 317.97496
6110.0000 38 0 -92.69872 1.58643 1.71844 -92.67668 323.22443
6115.0000 38 0 -92.75253 1.23611 1.72853 -92.56263 344.24789
6120.0000 38 0 -92.42034 1.62581 1.74282 -92.40110 352.72746
6125.0000 38 0 -93.12327 1.34986 1.71232 -92.74581 315.14976
6130.0000 38 0 -93.15870 1.28231 1.66227 -93.31158 262.29464
6135.0000 38 0 -92.71812 1.58307 1.69410 -92.95184 294.23558
6140.0000 38 0 -93.15557 1.28327 1.70572 -92.82050 309.30211
6145.0000 38 0 -92.83679 1.61304 1.67815 -93.13202 273.70105
6150.0000 38 0 -92.91208 1.51605 1.69727 -92.91601 303.72892
6155.0000 38 0 -93.18500 1.41572 1.68471 -93.05788 285.59974
6160.0000 38 0 -93.19579 1.50513 1.67932 -93.11883 284.13723
6165.0000 38 0 -93.13707 1.33773 1.68687 -93.03352 297.07715
6170.0000 38 0 -93.20196 1.19288 1.67532 -93.16411 268.77954
6175.0000 38 0 -93.15561 1.30916 1.67395 -93.17953 261.22817
6180.0000 38 0 -93.01065 1.17250 1.68610 -93.04220 270.07010
6185.0000 38 0 -93.20439 1.28521 1.68273 -93.08028 277.52037
6190.0000 38 0 -92.59266 1.63831 1.68738 -93.02778 281.09839
6195.0000 38 0 -92.61869 1.53371 1.71323 -92.73557 306.98583
6200.0000 38 0 -92.71916 1.31468 1.72523 -92.59989 322.97533
6205.0000 38 0 -92.20917 1.70459 1.72319 -92.62304 316.77215
6210.0000 38 0 -93.05400 1.22680 1.70916 -92.78162 304.26056
6215.0000 38 0 -92.45946 1.64412 1.70959 -92.77673 304.59936
6220.0000 38 0 -92.87769 1.44418 1.71350 -92.73253 307.61231
6225.0000 38 0 -92.38613 1.39253 1.73605 -92.47762 323.86011
6230.0000 38 0 -92.59462 1.53737 1.74102 -92.42145 341.20157
6235.0000 38 0 -92.23858 1.70683 1.72561 -92.59565 318.98362
6240.0000 38 0 -92.70068 1.59529 1.73287 -92.51363 327.61402
6245.0000 38 0 -92.65149 1.70348 1.71286 -92.73978 312.65252
6250.0000 38 0 -92.67169 1.44615 1.72109 -92.64677 311.16849
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.95319 0.63852 3.57094
force_rgl> df(natom) 0.00000 0.00000 0.00000
6255.0000 39 0 -92.23592 3.31266 1.95745 -92.53868 327.87167
6260.0000 39 0 -94.09062 1.82067 1.89391 -93.26943 436.93371
6265.0000 39 0 -94.31067 2.04876 1.80160 -94.33108 365.97048
6270.0000 39 0 -95.33053 1.62978 1.75332 -94.88624 342.80388
6275.0000 39 0 -95.25242 1.48974 1.71463 -95.33127 306.31337
6280.0000 39 0 -95.56299 1.31498 1.70445 -95.44825 289.96290
6285.0000 39 0 -95.07385 1.52086 1.72741 -95.18423 308.89849
6290.0000 39 0 -95.19442 1.64071 1.72785 -95.17915 316.46582
6295.0000 39 0 -94.88183 1.46163 1.74229 -95.01306 326.76848
6300.0000 39 0 -95.19438 1.50690 1.72522 -95.20946 318.72847
6305.0000 39 0 -95.21643 1.46098 1.70085 -95.48972 283.02789
6310.0000 39 0 -94.84693 1.92356 1.73421 -95.10607 332.81303
6315.0000 39 0 -94.98274 2.01240 1.74897 -94.93627 368.34405
6320.0000 39 0 -95.31994 1.50423 1.74029 -95.03614 363.19751
6325.0000 39 0 -95.68921 1.71374 1.69885 -95.51269 320.90364
6330.0000 39 0 -95.90292 1.42981 1.66493 -95.90282 280.21527
6335.0000 39 0 -95.59118 1.72315 1.67825 -95.74965 294.35772
6340.0000 39 0 -95.80883 1.32576 1.69609 -95.54437 305.48734
6345.0000 39 0 -95.62088 1.30704 1.69964 -95.50355 316.01741
6350.0000 39 0 -95.32434 1.45363 1.71325 -95.34708 330.42754
6355.0000 39 0 -95.50896 1.73204 1.72913 -95.16447 349.92110
6360.0000 39 0 -95.60095 1.65223 1.68205 -95.70590 300.70490
6365.0000 39 0 -95.41732 1.82507 1.68304 -95.69448 292.25049
6370.0000 39 0 -95.33217 1.70754 1.71352 -95.34397 332.78963
6375.0000 39 0 -95.21390 1.42571 1.71718 -95.30190 333.04104
6380.0000 39 0 -95.98020 1.37129 1.68220 -95.70413 299.86021
6385.0000 39 0 -95.72729 1.30405 1.66428 -95.91029 277.67455
6390.0000 39 0 -95.67481 1.49106 1.68488 -95.67330 299.72008
6395.0000 39 0 -95.81297 1.29895 1.68290 -95.69607 289.74733
6400.0000 39 0 -95.66749 1.63545 1.68655 -95.65419 301.93996
6405.0000 39 0 -95.96825 1.40466 1.66511 -95.90072 278.32998
6410.0000 39 0 -96.15252 1.21201 1.64889 -96.08728 252.53572
6415.0000 39 0 -95.59869 1.60472 1.67199 -95.82159 281.51312
6420.0000 39 0 -95.60541 1.56047 1.68810 -95.63627 299.91028
6425.0000 39 0 -95.73367 1.28814 1.68646 -95.65522 305.27508
6430.0000 39 0 -95.70016 1.48581 1.67759 -95.75715 290.35220
6435.0000 39 0 -95.98274 1.12987 1.68327 -95.69182 302.08262
6440.0000 39 0 -96.05215 1.21679 1.65282 -96.04201 263.68386
6445.0000 39 0 -95.62874 1.06014 1.68427 -95.68037 297.46670
6450.0000 39 0 -95.58790 1.30619 1.68935 -95.62192 308.92203
6455.0000 39 0 -95.67403 1.67319 1.67232 -95.81778 291.06928
6460.0000 39 0 -95.71932 1.34556 1.70050 -95.49374 319.75052
6465.0000 39 0 -96.10709 1.25016 1.66342 -95.92017 278.65339
6470.0000 39 0 -95.18602 1.93428 1.70102 -95.48777 320.47034
6475.0000 39 0 -95.50620 1.41626 1.70530 -95.43847 315.97357
6480.0000 39 0 -95.48405 1.78769 1.69713 -95.53243 314.38795
6485.0000 39 0 -95.31807 1.59156 1.69375 -95.57138 301.11888
6490.0000 39 0 -95.59289 1.64856 1.69448 -95.56296 317.83833
6495.0000 39 0 -95.94920 1.39068 1.66855 -95.86110 281.49515
6500.0000 39 0 -95.76830 1.59444 1.66461 -95.90647 276.63362
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75585 -0.34006 0.14397
force_rgl> df(natom) 0.00000 0.00000 0.00000
6505.0000 40 0 -95.63306 2.30435 1.90985 -95.66221 304.19946
6510.0000 40 0 -96.79626 1.91757 1.86626 -96.17214 434.77978
6515.0000 40 0 -97.42559 1.82356 1.78018 -97.17883 353.94674
6520.0000 40 0 -97.05876 1.61789 1.78130 -97.16583 348.09053
6525.0000 40 0 -97.30632 1.55373 1.77802 -97.20418 330.86660
6530.0000 40 0 -97.53095 1.57635 1.74906 -97.54290 312.71788
6535.0000 40 0 -96.94481 1.80130 1.77832 -97.20066 337.86424
6540.0000 40 0 -97.26633 1.81816 1.80731 -96.86155 384.73852
6545.0000 40 0 -98.09135 1.66736 1.72938 -97.77304 324.37913
6550.0000 40 0 -98.45844 1.37901 1.71996 -97.88322 323.45682
6555.0000 40 0 -98.56541 1.32507 1.67219 -98.44199 274.85905
6560.0000 40 0 -98.45941 1.26621 1.65777 -98.61061 257.28418
6565.0000 40 0 -98.52927 1.41487 1.69386 -98.18851 299.16687
6570.0000 40 0 -98.31129 1.65497 1.68577 -98.28308 292.93375
6575.0000 40 0 -98.16214 1.41456 1.69508 -98.17418 304.61101
6580.0000 40 0 -98.21533 1.41880 1.71434 -97.94896 317.47181
6585.0000 40 0 -97.68202 1.65580 1.69876 -98.13117 304.00531
6590.0000 40 0 -97.99932 1.70100 1.72436 -97.83175 334.14410
6595.0000 40 0 -97.72907 1.43375 1.72735 -97.79680 330.38779
6600.0000 40 0 -98.08268 1.49060 1.71142 -97.98315 317.57629
6605.0000 40 0 -97.99164 1.67137 1.70245 -98.08803 301.88759
6610.0000 40 0 -98.16195 1.35872 1.69520 -98.17280 292.70234
6615.0000 40 0 -97.87114 1.67639 1.69688 -98.15319 301.92895
6620.0000 40 0 -97.95935 1.72196 1.73011 -97.76454 341.48668
6625.0000 40 0 -98.00472 1.78305 1.69996 -98.11718 298.81886
6630.0000 40 0 -97.95466 1.66416 1.70288 -98.08297 299.70955
6635.0000 40 0 -97.89622 1.96493 1.71992 -97.88365 324.88624
6640.0000 40 0 -98.03111 1.74929 1.70820 -98.02078 321.92485
6645.0000 40 0 -97.89078 1.47537 1.70316 -98.07970 306.78107
6650.0000 40 0 -97.71784 1.65914 1.71102 -97.98782 306.06604
6655.0000 40 0 -98.11591 1.42753 1.72206 -97.85871 311.02020
6660.0000 40 0 -98.16759 1.47885 1.71151 -97.98205 312.05606
6665.0000 40 0 -98.53080 1.39278 1.66920 -98.47689 271.67728
6670.0000 40 0 -97.91800 1.54398 1.67604 -98.39691 278.74771
6675.0000 40 0 -98.13881 1.39019 1.69577 -98.16620 302.67321
6680.0000 40 0 -97.72164 1.86425 1.72309 -97.84656 331.20864
6685.0000 40 0 -98.18118 1.85087 1.70630 -98.04297 311.24212
6690.0000 40 0 -98.44110 1.30533 1.67249 -98.43845 275.87737
6695.0000 40 0 -98.69633 1.18910 1.65331 -98.66277 251.39872
6700.0000 40 0 -98.57085 1.45751 1.66664 -98.50682 264.89880
6705.0000 40 0 -98.30287 1.51929 1.65601 -98.63124 256.94068
6710.0000 40 0 -98.41786 1.51353 1.69119 -98.21974 293.11519
6715.0000 40 0 -98.68466 1.34283 1.67349 -98.42679 275.09181
6720.0000 40 0 -98.41096 1.22396 1.66206 -98.56040 262.19449
6725.0000 40 0 -98.64698 1.30836 1.66914 -98.47766 270.45880
6730.0000 40 0 -98.71147 1.06772 1.65506 -98.64228 257.26201
6735.0000 40 0 -98.02513 1.38182 1.67336 -98.42830 275.97295
6740.0000 40 0 -97.70185 1.66760 1.70318 -98.07950 305.53506
6745.0000 40 0 -98.17628 1.54233 1.71178 -97.97888 317.39325
6750.0000 40 0 -98.03768 1.55660 1.70873 -98.01460 303.97278
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05597 0.60796 1.17265
force_rgl> df(natom) 0.00000 0.00000 0.00000
6755.0000 41 0 -97.93761 2.22748 1.94826 -97.78477 358.20785
6760.0000 41 0 -99.50957 2.04508 1.88054 -98.59002 439.60725
6765.0000 41 0 -99.84123 1.69489 1.77893 -99.79817 346.78976
6770.0000 41 0 -100.66733 1.41193 1.73549 -100.31470 310.80579
6775.0000 41 0 -100.71009 1.37514 1.71609 -100.54536 282.12990
6780.0000 41 0 -100.38415 1.47419 1.70696 -100.65389 275.44787
6785.0000 41 0 -100.19617 1.72833 1.73855 -100.27823 316.58476
6790.0000 41 0 -100.43428 1.46003 1.76123 -100.00859 342.25589
6795.0000 41 0 -100.47247 1.48604 1.72118 -100.48477 293.29965
6800.0000 41 0 -100.47812 1.47712 1.72376 -100.45416 296.54692
6805.0000 41 0 -99.92208 2.08194 1.75049 -100.13635 317.75044
6810.0000 41 0 -100.03009 1.61985 1.75286 -100.10812 322.79205
6815.0000 41 0 -100.36718 1.89227 1.72573 -100.43075 299.28645
6820.0000 41 0 -100.36626 1.45487 1.71059 -100.61077 280.16138
6825.0000 41 0 -100.22693 1.54121 1.73894 -100.27360 310.39706
6830.0000 41 0 -99.49197 2.20385 1.76900 -99.91618 335.03235
6835.0000 41 0 -99.77988 1.62829 1.78468 -99.72977 358.11911
6840.0000 41 0 -100.21566 1.45590 1.76770 -99.93169 326.08077
6845.0000 41 0 -100.02109 1.63257 1.75347 -100.10089 314.26248
6850.0000 41 0 -99.95199 2.08041 1.76315 -99.98576 324.70908
6855.0000 41 0 -100.00432 1.75281 1.75254 -100.11190 320.70988
6860.0000 41 0 -100.25365 2.02530 1.74654 -100.18323 328.13885
6865.0000 41 0 -100.35178 1.50363 1.73478 -100.32313 327.50464
6870.0000 41 0 -100.42881 1.96383 1.72797 -100.40413 324.44974
6875.0000 41 0 -100.62746 1.86534 1.72414 -100.44963 320.37902
6880.0000 41 0 -100.40792 1.68637 1.73024 -100.37706 321.00768
6885.0000 41 0 -101.25274 1.10204 1.69063 -100.84806 274.24677
6890.0000 41 0 -100.72466 1.54330 1.67918 -100.98422 279.93716
6895.0000 41 0 -100.76779 1.51209 1.68557 -100.90826 292.03779
6900.0000 41 0 -100.54490 1.76328 1.70234 -100.70879 304.25071
6905.0000 41 0 -100.51953 1.69844 1.72908 -100.39083 330.02503
6910.0000 41 0 -100.34797 1.56530 1.72915 -100.39010 323.65081
6915.0000 41 0 -100.66868 1.49561 1.71782 -100.52480 312.09567
6920.0000 41 0 -100.87030 1.62186 1.70065 -100.72898 297.45170
6925.0000 41 0 -100.72704 1.45259 1.70750 -100.64749 303.66605
6930.0000 41 0 -101.02138 1.37793 1.70593 -100.66618 308.49769
6935.0000 41 0 -100.91942 1.53783 1.66741 -101.12419 252.26373
6940.0000 41 0 -101.45800 1.24834 1.65495 -101.27228 248.01879
6945.0000 41 0 -100.69686 1.42066 1.69260 -100.82459 284.02378
6950.0000 41 0 -100.94508 1.71402 1.69213 -100.83022 299.81352
6955.0000 41 0 -100.59380 1.42872 1.70837 -100.63719 312.69491
6960.0000 41 0 -100.48296 1.60773 1.71969 -100.50260 305.32093
6965.0000 41 0 -100.63886 1.61570 1.71946 -100.50527 300.70118
6970.0000 41 0 -100.47354 1.47237 1.70349 -100.69513 283.82800
6975.0000 41 0 -100.05588 1.67860 1.74511 -100.20030 331.16637
6980.0000 41 0 -100.19267 1.83360 1.75264 -100.11077 343.08163
6985.0000 41 0 -100.43243 1.42155 1.73067 -100.37193 326.39709
6990.0000 41 0 -100.50435 1.71844 1.70052 -100.73050 286.74550
6995.0000 41 0 -100.93524 1.61168 1.69792 -100.76144 291.18511
7000.0000 41 0 -101.01206 1.44636 1.68912 -100.86602 291.57253
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39449 -1.77994 -1.21439
force_rgl> df(natom) 0.00000 0.00000 0.00000
7005.0000 42 0 -100.86429 2.02726 1.91778 -100.72787 324.40688
7010.0000 42 0 -102.43599 2.02862 1.84234 -101.63944 410.59844
7015.0000 42 0 -102.40491 1.78913 1.76320 -102.59566 345.41204
7020.0000 42 0 -103.33693 1.60393 1.72953 -103.00250 303.11620
7025.0000 42 0 -102.77610 1.70514 1.72725 -103.03009 306.46778
7030.0000 42 0 -103.32343 1.20383 1.72011 -103.11629 292.56611
7035.0000 42 0 -102.65379 2.15130 1.72124 -103.10269 295.17029
7040.0000 42 0 -103.28483 1.72131 1.71958 -103.12270 291.00459
7045.0000 42 0 -103.13893 1.35641 1.72004 -103.11711 321.71489
7050.0000 42 0 -103.03955 1.83939 1.70339 -103.31832 306.09896
7055.0000 42 0 -102.73219 1.71419 1.73675 -102.91529 337.10990
7060.0000 42 0 -103.05402 1.65690 1.74880 -102.76961 352.59519
7065.0000 42 0 -103.50280 1.48900 1.70558 -103.29191 307.77692
7070.0000 42 0 -103.49481 1.71019 1.70741 -103.26976 307.22621
7075.0000 42 0 -103.26058 1.62101 1.72123 -103.10283 327.03961
7080.0000 42 0 -103.10194 1.80300 1.71168 -103.21816 305.25967
7085.0000 42 0 -103.40331 1.46944 1.70862 -103.25509 305.06884
7090.0000 42 0 -103.78179 1.73744 1.67831 -103.62140 282.53956
7095.0000 42 0 -103.86715 1.25186 1.65839 -103.86205 258.92052
7100.0000 42 0 -103.58629 1.59464 1.66760 -103.75074 268.23877
7105.0000 42 0 -103.33331 1.66755 1.69922 -103.36871 299.24122
7110.0000 42 0 -102.86250 1.82090 1.71915 -103.12795 322.24297
7115.0000 42 0 -102.87379 1.56254 1.74057 -102.86910 344.93306
7120.0000 42 0 -103.06752 1.62076 1.73221 -102.97011 337.11283
7125.0000 42 0 -103.67742 1.72999 1.71095 -103.22695 312.81920
7130.0000 42 0 -102.65689 2.17144 1.70785 -103.26442 311.83784
7135.0000 42 0 -102.70978 1.91840 1.76600 -102.56189 368.28521
7140.0000 42 0 -103.00718 1.85405 1.74220 -102.84943 347.08519
7145.0000 42 0 -103.22365 1.66108 1.74085 -102.86572 346.49132
7150.0000 42 0 -102.99966 1.93124 1.71200 -103.21428 313.54563
7155.0000 42 0 -103.43315 1.33437 1.70982 -103.24063 308.27860
7160.0000 42 0 -103.24225 1.71257 1.70551 -103.29275 302.51344
7165.0000 42 0 -102.83195 1.93862 1.73093 -102.98560 338.21730
7170.0000 42 0 -103.03450 1.52768 1.73777 -102.90296 335.68949
7175.0000 42 0 -102.98709 1.92327 1.71571 -103.16951 312.69143
7180.0000 42 0 -103.06625 1.92912 1.73337 -102.95615 337.62936
7185.0000 42 0 -103.02419 1.42605 1.72300 -103.08139 324.64323
7190.0000 42 0 -102.80896 2.09804 1.73754 -102.90570 346.66989
7195.0000 42 0 -102.66604 1.67613 1.72936 -103.00456 331.67471
7200.0000 42 0 -103.10178 1.88526 1.73868 -102.89195 340.35791
7205.0000 42 0 -103.29606 1.55209 1.70806 -103.26187 313.28448
7210.0000 42 0 -103.45258 1.60295 1.70202 -103.33491 304.73964
7215.0000 42 0 -103.29956 1.57283 1.70503 -103.29848 308.64255
7220.0000 42 0 -103.53912 1.55388 1.69097 -103.46837 290.83503
7225.0000 42 0 -103.10438 1.70943 1.68946 -103.48664 290.35804
7230.0000 42 0 -103.43155 1.45099 1.70108 -103.34625 299.88858
7235.0000 42 0 -102.86985 1.80440 1.71085 -103.22818 314.38303
7240.0000 42 0 -103.55090 1.63613 1.70736 -103.27040 311.35273
7245.0000 42 0 -103.34425 1.50181 1.69280 -103.44635 297.92803
7250.0000 42 0 -102.70837 1.98870 1.75198 -102.73123 347.45509
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 14.0202253 [s].
main_MD> Deallocating global variables
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