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nanoparticlesims/growth_Melting_Silver_ICO_2451/growthSims/run_45/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: 1600
main_MD> Size of nv and nvoiz: 45 4500
main_MD> Size of nv and nvoiz: 45 4500
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 = 45
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> -0.18779741415291248 -7.2309709439152839E-002 -0.33065212796004317 initial drift of cluster / NP1 for coalescence
init> 0.32097234152523996 0.46444329609342205 0.22154599519134066 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 301.73544676879908
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -30.034586546084892 0.34204598451045759 -30.376632530595348 3.6899159870043725E-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) 0.08466 -0.67414 -0.80208
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 14 0 -29.68092 0.50013 1.98783 -29.75314 310.28769
10.0000 14 0 -30.86575 0.89920 1.94447 -30.00496 712.03764
15.0000 14 0 -31.57792 0.72286 1.68717 -31.49957 419.54431
20.0000 14 0 -31.70167 0.71232 1.65434 -31.69027 371.86672
25.0000 14 0 -31.91330 0.63341 1.63209 -31.81952 336.98155
30.0000 14 0 -31.71786 0.39684 1.61896 -31.89580 305.19781
35.0000 14 0 -31.78610 0.48627 1.65286 -31.69888 359.03081
40.0000 14 0 -31.88253 0.59239 1.62634 -31.85297 323.00104
45.0000 14 0 -32.04812 0.55213 1.59609 -32.02864 284.99767
50.0000 14 0 -31.90963 0.60326 1.61204 -31.93602 320.68157
55.0000 14 0 -31.74780 0.55976 1.61650 -31.91010 332.20126
60.0000 14 0 -31.82209 0.58817 1.64569 -31.74053 350.18615
65.0000 14 0 -31.91815 0.43240 1.61432 -31.92279 285.47392
70.0000 14 0 -31.97494 0.64257 1.62078 -31.88521 341.35725
75.0000 14 0 -31.94319 0.34965 1.61045 -31.94524 290.63961
80.0000 14 0 -31.86679 0.63498 1.64119 -31.76666 370.37489
85.0000 14 0 -31.84981 0.60435 1.62025 -31.88833 313.82809
90.0000 14 0 -32.22484 0.38348 1.60073 -32.00171 301.65232
95.0000 14 0 -31.89485 0.76668 1.60204 -31.99410 301.77065
100.0000 14 0 -31.82867 0.52475 1.63054 -31.82856 350.06908
105.0000 14 0 -32.00958 0.44372 1.61182 -31.93731 310.78538
110.0000 14 0 -32.22969 0.36976 1.58244 -32.10793 261.96931
115.0000 14 0 -32.24941 0.33912 1.57406 -32.15665 268.84887
120.0000 14 0 -32.05430 0.32564 1.56110 -32.23191 233.05186
125.0000 14 0 -31.91480 0.64109 1.60337 -31.98638 293.83403
130.0000 14 0 -32.10887 0.31060 1.60364 -31.98482 293.60822
135.0000 14 0 -31.96090 0.55231 1.61439 -31.92237 325.37428
140.0000 14 0 -32.07633 0.40119 1.59508 -32.03453 278.89544
145.0000 14 0 -32.20361 0.49009 1.57223 -32.16724 246.78224
150.0000 14 0 -32.05791 0.41170 1.58106 -32.11595 267.56395
155.0000 14 0 -31.86855 0.61199 1.58428 -32.09724 274.75943
160.0000 14 0 -31.75518 0.58512 1.62752 -31.84606 343.59297
165.0000 14 0 -31.70296 0.66821 1.64656 -31.73546 355.32959
170.0000 14 0 -31.71836 0.59697 1.70038 -31.42287 458.38427
175.0000 14 0 -31.90764 0.51530 1.63448 -31.80565 322.88748
180.0000 14 0 -32.11179 0.42697 1.61080 -31.94321 310.37307
185.0000 14 0 -31.70299 0.78162 1.62576 -31.85628 316.42688
190.0000 14 0 -31.67331 0.57753 1.65284 -31.69903 371.17862
195.0000 14 0 -31.90357 0.52583 1.65184 -31.70483 357.01773
200.0000 14 0 -31.68270 0.69401 1.64648 -31.73598 352.47593
205.0000 14 0 -31.74921 0.66901 1.65930 -31.66147 384.61372
210.0000 14 0 -31.80544 0.52356 1.64131 -31.76599 359.69734
215.0000 14 0 -31.81041 0.52854 1.63104 -31.82563 383.40380
220.0000 14 0 -32.04876 0.51008 1.61890 -31.89614 329.94884
225.0000 14 0 -31.97273 0.37955 1.59690 -32.02394 262.22833
230.0000 14 0 -31.93782 0.34060 1.60315 -31.98764 257.56633
235.0000 14 0 -31.75330 0.31177 1.62148 -31.88115 298.96201
240.0000 14 0 -31.57540 0.75517 1.65278 -31.69938 353.88914
245.0000 14 0 -31.79863 0.63136 1.62985 -31.83253 343.28176
250.0000 14 0 -31.70341 0.59514 1.64847 -31.72437 373.55153
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56102 3.40860 -0.07332
force_rgl> df(natom) 0.00000 0.00000 0.00000
255.0000 15 0 -31.73913 1.22947 2.06344 -31.69977 423.42357
260.0000 15 0 -33.63506 0.98734 1.88375 -32.79264 665.05921
265.0000 15 0 -34.22924 0.67740 1.70711 -33.86700 472.58708
270.0000 15 0 -34.37938 0.75555 1.64688 -34.23333 366.93205
275.0000 15 0 -34.33228 0.66528 1.62499 -34.36646 324.76374
280.0000 15 0 -34.35706 0.51585 1.62301 -34.37850 324.84748
285.0000 15 0 -34.32932 0.75022 1.63385 -34.31259 334.75876
290.0000 15 0 -34.24787 0.54212 1.64831 -34.22464 357.56334
295.0000 15 0 -33.97462 0.69653 1.68293 -34.01408 423.84695
300.0000 15 0 -34.34907 0.59170 1.64588 -34.23942 348.09395
305.0000 15 0 -34.46025 0.53107 1.59874 -34.52615 268.78949
310.0000 15 0 -34.54020 0.47703 1.58934 -34.58333 262.13650
315.0000 15 0 -34.26670 0.56821 1.62376 -34.37396 321.24916
320.0000 15 0 -34.45780 0.57295 1.62488 -34.36716 336.27615
325.0000 15 0 -34.40977 0.54039 1.60283 -34.50128 288.75539
330.0000 15 0 -34.14977 0.90420 1.63545 -34.30289 348.76383
335.0000 15 0 -34.83658 0.29556 1.60451 -34.49105 298.22655
340.0000 15 0 -34.55598 0.49899 1.58231 -34.62606 254.81138
345.0000 15 0 -34.55972 0.45066 1.58636 -34.60144 259.97496
350.0000 15 0 -34.58513 0.44345 1.60212 -34.50556 283.83181
355.0000 15 0 -34.56605 0.51911 1.59734 -34.53465 278.18928
360.0000 15 0 -34.40794 0.54195 1.60932 -34.46179 306.03951
365.0000 15 0 -34.40200 0.48090 1.61535 -34.42513 302.39171
370.0000 15 0 -33.81611 0.88610 1.66649 -34.11405 395.68160
375.0000 15 0 -34.69762 0.45274 1.65144 -34.20559 352.11137
380.0000 15 0 -34.76539 0.34882 1.56463 -34.73361 223.65542
385.0000 15 0 -34.60162 0.50315 1.56982 -34.70204 225.23159
390.0000 15 0 -34.48171 0.53718 1.59878 -34.52590 281.24523
395.0000 15 0 -34.37967 0.67031 1.63986 -34.27602 348.45628
400.0000 15 0 -34.28299 0.70201 1.62280 -34.37980 328.88570
405.0000 15 0 -34.59096 0.59682 1.62296 -34.37884 332.88888
410.0000 15 0 -34.51623 0.50162 1.59733 -34.53473 287.35417
415.0000 15 0 -34.35857 0.48498 1.62885 -34.34301 328.41844
420.0000 15 0 -34.15940 0.63154 1.65062 -34.21061 385.75380
425.0000 15 0 -34.14052 0.77121 1.66449 -34.12625 388.23681
430.0000 15 0 -34.23464 0.61096 1.64964 -34.21658 363.39280
435.0000 15 0 -34.30577 0.53239 1.64681 -34.23378 366.52730
440.0000 15 0 -34.45329 0.53049 1.62774 -34.34977 316.84622
445.0000 15 0 -34.70180 0.52112 1.59112 -34.57250 277.43403
450.0000 15 0 -34.45096 0.54272 1.60028 -34.51680 296.83670
455.0000 15 0 -34.44770 0.53781 1.61533 -34.42524 317.20114
460.0000 15 0 -34.39569 0.55861 1.63368 -34.31363 342.54735
465.0000 15 0 -34.47361 0.61128 1.62327 -34.37692 331.65797
470.0000 15 0 -34.39985 0.62816 1.59909 -34.52401 287.76333
475.0000 15 0 -34.53561 0.44429 1.60217 -34.50530 280.00461
480.0000 15 0 -34.47232 0.57110 1.60882 -34.46486 307.76948
485.0000 15 0 -34.23318 0.66936 1.64201 -34.26294 345.91662
490.0000 15 0 -34.34781 0.48094 1.63131 -34.32803 323.96394
495.0000 15 0 -34.49226 0.50948 1.61145 -34.44882 298.68744
500.0000 15 0 -34.50821 0.53510 1.59102 -34.57312 270.54666
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.64537 -1.77327 -0.11240
force_rgl> df(natom) 0.00000 0.00000 0.00000
505.0000 16 0 -34.36975 1.56859 2.01677 -34.39433 322.45868
510.0000 16 0 -35.90198 1.00214 1.87597 -35.28835 691.43024
515.0000 16 0 -36.57966 0.62819 1.74896 -36.09483 486.74988
520.0000 16 0 -36.74216 0.71636 1.65205 -36.71011 374.50102
525.0000 16 0 -36.91067 0.75726 1.64380 -36.76253 333.17610
530.0000 16 0 -36.86480 0.62723 1.62476 -36.88344 316.49311
535.0000 16 0 -36.84358 0.65798 1.63217 -36.83639 333.10001
540.0000 16 0 -36.85462 0.58117 1.64240 -36.77140 337.97015
545.0000 16 0 -36.55932 0.66637 1.62981 -36.85134 322.43370
550.0000 16 0 -36.79090 0.59346 1.63066 -36.84595 316.60131
555.0000 16 0 -36.77151 0.67848 1.63895 -36.79330 325.41412
560.0000 16 0 -36.90867 0.65050 1.62689 -36.86989 309.51737
565.0000 16 0 -36.92659 0.71853 1.60583 -37.00364 277.12277
570.0000 16 0 -36.73892 0.86821 1.61881 -36.92118 299.47763
575.0000 16 0 -37.09236 0.60534 1.61186 -36.96531 299.58257
580.0000 16 0 -36.79747 0.69108 1.59037 -37.10176 260.06420
585.0000 16 0 -36.70384 0.55712 1.65678 -36.68007 360.00525
590.0000 16 0 -36.76727 0.66559 1.64971 -36.72497 339.68445
595.0000 16 0 -36.47551 0.82434 1.67490 -36.56504 400.48892
600.0000 16 0 -36.51495 0.62262 1.69106 -36.46247 410.97886
605.0000 16 0 -36.83520 0.66806 1.66485 -36.62883 359.66819
610.0000 16 0 -36.83717 0.62796 1.64599 -36.74861 332.16855
615.0000 16 0 -36.55073 0.64281 1.66292 -36.64111 369.82728
620.0000 16 0 -36.85816 0.65654 1.64909 -36.72895 342.55709
625.0000 16 0 -36.87372 0.65433 1.62769 -36.86480 302.84853
630.0000 16 0 -36.94708 0.52805 1.61076 -36.97230 291.89439
635.0000 16 0 -36.97081 0.58754 1.61641 -36.93641 303.93682
640.0000 16 0 -37.18403 0.44400 1.59879 -37.04829 275.59980
645.0000 16 0 -37.12651 0.52408 1.58771 -37.11865 262.27130
650.0000 16 0 -36.75551 0.63355 1.60446 -37.01230 278.06986
655.0000 16 0 -36.78629 0.64897 1.65651 -36.68181 357.53146
660.0000 16 0 -36.83872 0.73261 1.64357 -36.76399 347.97732
665.0000 16 0 -36.99911 0.64601 1.62077 -36.90875 313.16147
670.0000 16 0 -37.13370 0.40253 1.58609 -37.12894 250.42729
675.0000 16 0 -36.66140 0.77272 1.61553 -36.94201 290.16584
680.0000 16 0 -36.66151 0.84045 1.64547 -36.75190 344.72422
685.0000 16 0 -36.80249 0.46823 1.65556 -36.68787 369.25359
690.0000 16 0 -36.78681 0.71273 1.62770 -36.86473 320.69718
695.0000 16 0 -36.45138 0.84994 1.65053 -36.71981 352.30675
700.0000 16 0 -37.04000 0.53567 1.64163 -36.77628 331.58454
705.0000 16 0 -37.04427 0.57685 1.59678 -37.06108 276.76745
710.0000 16 0 -37.37920 0.33816 1.57059 -37.22735 225.72194
715.0000 16 0 -37.01272 0.57601 1.56717 -37.24911 209.86426
720.0000 16 0 -36.81597 0.70530 1.62816 -36.86185 315.39438
725.0000 16 0 -37.20619 0.53492 1.62284 -36.89559 311.08760
730.0000 16 0 -36.85311 0.63394 1.61265 -36.96031 296.70507
735.0000 16 0 -36.87354 0.51868 1.63361 -36.82723 340.44298
740.0000 16 0 -37.09324 0.53140 1.61358 -36.95438 286.71187
745.0000 16 0 -37.05130 0.56256 1.60187 -37.02874 286.13960
750.0000 16 0 -36.82765 0.68881 1.62926 -36.85483 322.65388
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.04745 1.40698 -1.29998
force_rgl> df(natom) 0.00000 0.00000 0.00000
755.0000 17 0 -36.47761 1.76128 2.03582 -36.69020 379.93839
760.0000 17 0 -38.04630 1.23089 1.91386 -37.49655 639.17397
765.0000 17 0 -38.86550 0.88047 1.76091 -38.50778 462.12667
770.0000 17 0 -38.71839 1.22536 1.73142 -38.70274 468.12554
775.0000 17 0 -39.29548 0.71665 1.68156 -39.03236 388.93983
780.0000 17 0 -39.10921 0.55849 1.66265 -39.15738 335.72086
785.0000 17 0 -39.19519 0.70874 1.66175 -39.16338 333.78805
790.0000 17 0 -39.27682 0.76820 1.65496 -39.20828 323.89777
795.0000 17 0 -39.09371 0.66789 1.66900 -39.11545 355.48551
800.0000 17 0 -39.30792 0.75020 1.64058 -39.30330 331.67708
805.0000 17 0 -39.23145 0.93377 1.64352 -39.28391 325.68506
810.0000 17 0 -38.82657 0.69870 1.69770 -38.92568 390.33581
815.0000 17 0 -39.20760 0.80105 1.69070 -38.97196 393.26129
820.0000 17 0 -39.05821 0.61336 1.66060 -39.17093 349.96561
825.0000 17 0 -39.10854 0.74232 1.66808 -39.12151 356.62783
830.0000 17 0 -39.27627 0.60450 1.64206 -39.29352 315.26532
835.0000 17 0 -39.58545 0.42844 1.63793 -39.32083 318.01184
840.0000 17 0 -39.49777 0.55731 1.62437 -39.41051 297.00103
845.0000 17 0 -39.58404 0.61974 1.62037 -39.43695 297.28079
850.0000 17 0 -39.49843 0.43380 1.61825 -39.45095 292.07663
855.0000 17 0 -39.34020 0.55752 1.63142 -39.36388 316.58949
860.0000 17 0 -39.04560 0.76448 1.66844 -39.11912 368.71650
865.0000 17 0 -38.82079 0.85560 1.69552 -38.94008 403.14970
870.0000 17 0 -38.90359 1.02365 1.72454 -38.74821 422.03266
875.0000 17 0 -39.41003 0.76907 1.67363 -39.08479 387.27143
880.0000 17 0 -39.48134 0.68878 1.61094 -39.49930 285.72913
885.0000 17 0 -39.37582 0.69121 1.61081 -39.50016 275.43859
890.0000 17 0 -39.24024 0.74911 1.65283 -39.22236 342.58565
895.0000 17 0 -39.12680 0.87095 1.64003 -39.30696 319.86149
900.0000 17 0 -39.23591 0.90353 1.65160 -39.23049 342.91171
905.0000 17 0 -39.13026 0.88065 1.66606 -39.13489 359.24956
910.0000 17 0 -39.14698 0.78506 1.66945 -39.11242 376.23930
915.0000 17 0 -39.17208 0.64164 1.65531 -39.20593 344.51974
920.0000 17 0 -39.08304 0.84999 1.65582 -39.20260 338.17279
925.0000 17 0 -39.06624 0.76285 1.65540 -39.20537 350.91224
930.0000 17 0 -39.67914 0.53775 1.62812 -39.38571 309.78726
935.0000 17 0 -39.34685 0.58193 1.62202 -39.42603 294.48866
940.0000 17 0 -39.47354 0.67763 1.64738 -39.25836 329.82833
945.0000 17 0 -39.47941 0.66041 1.62679 -39.39450 306.26905
950.0000 17 0 -39.49205 0.45533 1.61637 -39.46340 284.53970
955.0000 17 0 -39.62435 0.61660 1.60908 -39.51156 271.47672
960.0000 17 0 -39.36413 0.59230 1.60887 -39.51300 272.12059
965.0000 17 0 -39.23737 0.76099 1.62954 -39.37629 342.21042
970.0000 17 0 -39.37916 0.65278 1.65068 -39.23654 352.58331
975.0000 17 0 -39.09720 0.87753 1.65775 -39.18982 351.10659
980.0000 17 0 -39.30129 0.93585 1.66657 -39.13149 377.10543
985.0000 17 0 -39.48681 0.56048 1.62196 -39.42645 291.84609
990.0000 17 0 -39.17608 0.80364 1.62052 -39.43594 292.45721
995.0000 17 0 -39.50222 0.72479 1.65551 -39.20462 357.84475
1000.0000 17 0 -39.59536 0.49695 1.63466 -39.34243 317.16220
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25193 1.25117 2.46640
force_rgl> df(natom) 0.00000 0.00000 0.00000
1005.0000 18 0 -39.43900 0.56491 1.98872 -39.44091 281.02860
1010.0000 18 0 -40.59664 1.42354 1.93667 -39.79838 567.82575
1015.0000 18 0 -41.14912 0.94249 1.77523 -40.90719 476.22324
1020.0000 18 0 -41.82019 0.70066 1.66979 -41.63141 337.04556
1025.0000 18 0 -41.60697 0.69169 1.65867 -41.70778 337.57594
1030.0000 18 0 -41.28833 1.03599 1.68455 -41.53003 360.60530
1035.0000 18 0 -41.26095 1.01139 1.73508 -41.18295 415.88397
1040.0000 18 0 -41.46811 0.70369 1.67304 -41.60911 341.26923
1045.0000 18 0 -41.53872 0.84725 1.69086 -41.48668 373.10609
1050.0000 18 0 -41.24370 0.80005 1.69398 -41.46523 378.68645
1055.0000 18 0 -41.73968 0.60595 1.67046 -41.62677 329.29332
1060.0000 18 0 -41.69223 0.65377 1.65817 -41.71124 331.40311
1065.0000 18 0 -41.72599 0.73071 1.65585 -41.72713 322.11164
1070.0000 18 0 -41.86100 0.54828 1.65412 -41.73905 318.40166
1075.0000 18 0 -42.08280 0.53475 1.62525 -41.93729 277.78897
1080.0000 18 0 -41.59805 0.72434 1.63035 -41.90227 272.18683
1085.0000 18 0 -41.63231 0.71536 1.66659 -41.65341 346.92102
1090.0000 18 0 -41.15965 0.87674 1.70608 -41.38217 393.53114
1095.0000 18 0 -41.70435 0.80276 1.68038 -41.55868 353.43807
1100.0000 18 0 -41.66335 0.68387 1.66458 -41.66721 335.32783
1105.0000 18 0 -41.39592 0.80624 1.68064 -41.55687 383.08054
1110.0000 18 0 -41.48075 0.62954 1.70180 -41.41159 398.92738
1115.0000 18 0 -41.39696 0.97016 1.68185 -41.54856 371.00425
1120.0000 18 0 -41.59502 0.80259 1.70817 -41.36783 416.22370
1125.0000 18 0 -41.59576 0.65083 1.69218 -41.47761 364.09072
1130.0000 18 0 -41.42088 0.84135 1.68832 -41.50412 356.95076
1135.0000 18 0 -41.17449 1.17433 1.71836 -41.29785 405.24731
1140.0000 18 0 -41.60846 0.70257 1.70653 -41.37904 401.37795
1145.0000 18 0 -41.44780 0.82450 1.66541 -41.66150 340.04949
1150.0000 18 0 -41.51086 0.94450 1.68686 -41.51419 372.30814
1155.0000 18 0 -41.61377 0.82030 1.66688 -41.65141 343.55311
1160.0000 18 0 -42.04160 0.52016 1.63440 -41.87449 278.07342
1165.0000 18 0 -41.85596 0.83475 1.63771 -41.85173 293.49168
1170.0000 18 0 -41.58518 0.76778 1.65734 -41.71693 317.01522
1175.0000 18 0 -41.49188 1.02087 1.67429 -41.60050 357.84070
1180.0000 18 0 -41.91993 0.49646 1.66446 -41.66799 336.21934
1185.0000 18 0 -41.94757 0.58980 1.61979 -41.97479 274.18189
1190.0000 18 0 -41.84779 0.56978 1.63363 -41.87975 297.07905
1195.0000 18 0 -41.87184 0.68715 1.64534 -41.79937 318.64257
1200.0000 18 0 -41.89302 0.47267 1.61767 -41.98937 275.22850
1205.0000 18 0 -41.96244 0.61132 1.64379 -41.80996 314.38891
1210.0000 18 0 -41.83998 0.62892 1.62072 -41.96840 267.15099
1215.0000 18 0 -42.13900 0.45311 1.63024 -41.90303 287.01430
1220.0000 18 0 -41.84412 0.68415 1.60504 -42.07612 245.88236
1225.0000 18 0 -41.54291 0.69177 1.67121 -41.62164 327.65276
1230.0000 18 0 -41.64913 0.83115 1.68908 -41.49891 376.10356
1235.0000 18 0 -41.67279 0.73841 1.67743 -41.57891 347.26476
1240.0000 18 0 -41.95711 0.64582 1.64643 -41.79185 304.00281
1245.0000 18 0 -41.69326 0.60540 1.63346 -41.88095 284.63587
1250.0000 18 0 -41.61229 0.85818 1.68333 -41.53839 353.86899
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48733 0.05369 -1.23708
force_rgl> df(natom) 0.00000 0.00000 0.00000
1255.0000 19 0 -42.02288 1.55206 2.00614 -41.76555 335.35906
1260.0000 19 0 -42.93819 1.10757 1.89649 -42.54631 598.65153
1265.0000 19 0 -43.20033 0.84794 1.82087 -43.08471 510.07548
1270.0000 19 0 -43.79580 1.09672 1.76213 -43.50299 489.36629
1275.0000 19 0 -44.37140 0.92392 1.65821 -44.24293 373.25955
1280.0000 19 0 -44.58910 0.61799 1.62900 -44.45094 322.78288
1285.0000 19 0 -44.75819 0.63394 1.59044 -44.72547 274.18909
1290.0000 19 0 -44.42454 0.77710 1.61153 -44.57532 295.48831
1295.0000 19 0 -44.49384 0.61883 1.62866 -44.45334 319.47643
1300.0000 19 0 -44.23197 0.71618 1.61455 -44.55380 297.94925
1305.0000 19 0 -44.25088 0.53544 1.69148 -44.00605 414.07105
1310.0000 19 0 -44.30082 0.87011 1.64273 -44.35317 349.04726
1315.0000 19 0 -44.36868 0.69541 1.64396 -44.34443 342.38299
1320.0000 19 0 -44.75962 0.40253 1.60851 -44.59679 291.52346
1325.0000 19 0 -44.90230 0.61706 1.61309 -44.56420 297.56687
1330.0000 19 0 -44.93553 0.54792 1.58037 -44.79720 249.31887
1335.0000 19 0 -44.20087 0.93157 1.63728 -44.39197 340.52524
1340.0000 19 0 -44.25373 0.97759 1.66743 -44.17726 395.94701
1345.0000 19 0 -44.62239 0.75389 1.61892 -44.52268 305.70681
1350.0000 19 0 -44.83727 0.52806 1.57871 -44.80901 248.64279
1355.0000 19 0 -44.39598 0.77648 1.58904 -44.73546 268.16249
1360.0000 19 0 -44.17515 1.00074 1.64642 -44.32687 347.95192
1365.0000 19 0 -44.51851 0.77658 1.64678 -44.32434 351.27257
1370.0000 19 0 -44.46520 0.69038 1.60274 -44.63787 282.31922
1375.0000 19 0 -44.40752 0.97800 1.64148 -44.36208 340.64805
1380.0000 19 0 -44.39731 0.88742 1.62000 -44.51498 305.68959
1385.0000 19 0 -44.65373 0.63361 1.58091 -44.79331 244.62539
1390.0000 19 0 -44.53711 0.66762 1.61565 -44.54594 301.36696
1395.0000 19 0 -44.18989 1.01903 1.64795 -44.31601 352.65817
1400.0000 19 0 -44.41749 0.83322 1.64735 -44.32028 357.77939
1405.0000 19 0 -44.25544 1.10537 1.63777 -44.38851 344.76640
1410.0000 19 0 -44.55060 0.60483 1.61928 -44.52013 304.40162
1415.0000 19 0 -44.76325 0.59956 1.59585 -44.68693 269.86325
1420.0000 19 0 -44.75153 0.65131 1.59975 -44.65916 276.08626
1425.0000 19 0 -44.56913 0.74918 1.59364 -44.70270 276.07978
1430.0000 19 0 -44.52336 0.50715 1.60916 -44.59216 299.50397
1435.0000 19 0 -44.55550 0.63958 1.60864 -44.59589 291.50219
1440.0000 19 0 -44.34189 0.80005 1.61567 -44.54580 310.97621
1445.0000 19 0 -44.34574 0.82132 1.62213 -44.49981 306.98174
1450.0000 19 0 -44.61111 0.69708 1.61280 -44.56628 304.49710
1455.0000 19 0 -44.41026 0.82212 1.61486 -44.55162 301.13085
1460.0000 19 0 -44.53336 0.83297 1.62092 -44.50846 311.71450
1465.0000 19 0 -44.19180 1.06306 1.63945 -44.37648 334.45204
1470.0000 19 0 -44.34084 0.81877 1.63174 -44.43138 325.41108
1475.0000 19 0 -44.48269 0.68085 1.63600 -44.40108 332.56764
1480.0000 19 0 -44.72996 0.74238 1.62249 -44.49724 309.19927
1485.0000 19 0 -44.34162 0.77531 1.62454 -44.48271 334.38305
1490.0000 19 0 -44.62629 0.73775 1.61247 -44.56866 315.39841
1495.0000 19 0 -44.65703 0.63950 1.60110 -44.64960 289.56054
1500.0000 19 0 -44.55759 0.57836 1.61192 -44.57254 298.57495
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73620 2.46448 -0.15718
force_rgl> df(natom) 0.00000 0.00000 0.00000
1505.0000 20 0 -44.57990 0.77634 1.95630 -44.58583 296.21956
1510.0000 20 0 -45.99421 1.23508 1.86062 -45.29086 545.12614
1515.0000 20 0 -46.27559 0.90830 1.72291 -46.30548 415.74061
1520.0000 20 0 -46.79278 0.77555 1.68673 -46.57210 367.46363
1525.0000 20 0 -46.96728 0.74121 1.63255 -46.97126 293.23620
1530.0000 20 0 -46.82419 0.48888 1.66555 -46.72812 351.71308
1535.0000 20 0 -46.73893 0.78006 1.65004 -46.84237 337.18166
1540.0000 20 0 -47.04570 0.58150 1.63596 -46.94613 300.73580
1545.0000 20 0 -46.96837 0.76210 1.64389 -46.88775 324.18739
1550.0000 20 0 -47.04126 0.83763 1.62572 -47.02156 292.19228
1555.0000 20 0 -47.19841 0.59067 1.63444 -46.95738 296.04638
1560.0000 20 0 -46.76250 0.95977 1.63294 -46.96842 298.71634
1565.0000 20 0 -46.88521 0.57712 1.63926 -46.92184 307.64861
1570.0000 20 0 -46.96677 0.69237 1.65098 -46.83545 323.38748
1575.0000 20 0 -47.01288 0.79533 1.63133 -46.98027 295.07403
1580.0000 20 0 -47.05412 0.89157 1.62636 -47.01691 298.52876
1585.0000 20 0 -46.85013 0.72456 1.63278 -46.96956 293.87804
1590.0000 20 0 -47.06803 0.59490 1.63418 -46.95927 296.43946
1595.0000 20 0 -46.79639 0.72362 1.64790 -46.85814 312.92866
1600.0000 20 0 -46.76819 0.78947 1.66383 -46.74076 334.87643
1605.0000 20 0 -46.66878 0.76558 1.65857 -46.77958 329.25913
1610.0000 20 0 -46.81045 0.81864 1.65429 -46.81109 314.57843
1615.0000 20 0 -46.83712 0.79214 1.65983 -46.77028 333.05984
1620.0000 20 0 -46.54906 0.96602 1.66488 -46.73309 339.32509
1625.0000 20 0 -46.49141 0.93100 1.69839 -46.48617 397.70716
1630.0000 20 0 -46.71975 0.73280 1.68303 -46.59930 378.85810
1635.0000 20 0 -46.55811 0.88997 1.68357 -46.59533 358.14879
1640.0000 20 0 -46.72862 0.69845 1.67625 -46.64930 328.01273
1645.0000 20 0 -46.62406 0.86475 1.67357 -46.66905 337.93728
1650.0000 20 0 -46.72829 0.52671 1.69318 -46.52457 382.85450
1655.0000 20 0 -47.01728 0.60248 1.64492 -46.88014 308.29348
1660.0000 20 0 -47.22278 0.62776 1.61394 -47.10836 263.93852
1665.0000 20 0 -46.69579 0.84072 1.62831 -47.00250 291.94506
1670.0000 20 0 -46.59526 0.70081 1.66253 -46.75035 336.38835
1675.0000 20 0 -46.78217 0.59390 1.67424 -46.66412 353.03647
1680.0000 20 0 -46.79615 0.57396 1.64914 -46.84903 305.50728
1685.0000 20 0 -46.65832 0.75048 1.68700 -46.57005 361.55691
1690.0000 20 0 -46.73074 1.01478 1.66943 -46.69950 341.83441
1695.0000 20 0 -46.84567 0.61017 1.66267 -46.74931 318.64305
1700.0000 20 0 -47.16433 0.53944 1.63984 -46.91754 303.15553
1705.0000 20 0 -46.67287 0.82554 1.63355 -46.96394 289.94933
1710.0000 20 0 -46.79958 0.73798 1.64907 -46.84956 318.06243
1715.0000 20 0 -47.03966 0.63197 1.64256 -46.89754 295.72582
1720.0000 20 0 -46.92451 0.86774 1.62300 -47.04161 267.78981
1725.0000 20 0 -46.75262 0.75069 1.65771 -46.78590 336.23168
1730.0000 20 0 -46.53349 0.89893 1.68282 -46.60088 372.90865
1735.0000 20 0 -46.44959 0.94345 1.70035 -46.47172 385.34404
1740.0000 20 0 -46.67847 0.75741 1.67716 -46.64255 348.88847
1745.0000 20 0 -46.68225 1.06254 1.68362 -46.59499 360.79664
1750.0000 20 0 -47.05394 0.68497 1.63463 -46.95598 291.34818
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18800 0.07946 -0.34856
force_rgl> df(natom) 0.00000 0.00000 0.00000
1755.0000 21 0 -46.76735 0.72816 1.98526 -46.83884 310.83292
1760.0000 21 0 -48.50726 1.53245 1.87093 -47.70912 555.96049
1765.0000 21 0 -49.10087 0.83732 1.72688 -48.80555 411.47564
1770.0000 21 0 -49.56595 0.74781 1.64793 -49.40654 294.82755
1775.0000 21 0 -49.08123 0.69128 1.65750 -49.33363 318.46023
1780.0000 21 0 -49.10676 0.92348 1.68759 -49.10466 346.71890
1785.0000 21 0 -49.12238 0.92016 1.67897 -49.17027 347.05381
1790.0000 21 0 -49.51017 0.86744 1.65649 -49.34132 314.50415
1795.0000 21 0 -49.41516 0.73891 1.63946 -49.47101 292.00073
1800.0000 21 0 -49.35031 0.75754 1.65110 -49.38235 309.18276
1805.0000 21 0 -49.44482 0.94041 1.65286 -49.36902 313.39922
1810.0000 21 0 -49.61620 0.69531 1.63161 -49.53070 293.34197
1815.0000 21 0 -49.57175 0.76686 1.64709 -49.41292 295.56558
1820.0000 21 0 -49.37674 0.74358 1.64921 -49.39680 308.35651
1825.0000 21 0 -49.22205 0.65054 1.69044 -49.08294 361.78084
1830.0000 21 0 -49.65140 0.69515 1.63301 -49.52006 282.52907
1835.0000 21 0 -49.71720 0.61447 1.62476 -49.58285 274.69009
1840.0000 21 0 -49.21464 0.75146 1.63154 -49.53127 279.56475
1845.0000 21 0 -48.98949 1.20832 1.69358 -49.05901 373.17409
1850.0000 21 0 -48.81796 1.08682 1.71448 -48.89995 404.71732
1855.0000 21 0 -48.93069 1.27442 1.71048 -48.93043 408.82616
1860.0000 21 0 -49.09400 0.91427 1.69205 -49.07072 370.79325
1865.0000 21 0 -49.20024 0.81159 1.69268 -49.06591 345.23570
1870.0000 21 0 -49.71565 0.73831 1.65329 -49.36573 299.29759
1875.0000 21 0 -49.56452 0.62007 1.61852 -49.63041 261.91926
1880.0000 21 0 -49.65932 0.60083 1.62755 -49.56161 279.09324
1885.0000 21 0 -49.36496 0.66562 1.62848 -49.55456 282.56546
1890.0000 21 0 -49.03857 0.96057 1.67935 -49.16738 337.04023
1895.0000 21 0 -48.92800 1.05080 1.68443 -49.12867 338.67635
1900.0000 21 0 -49.21039 0.82961 1.68367 -49.13449 347.94947
1905.0000 21 0 -49.24441 0.92392 1.68167 -49.14967 352.27507
1910.0000 21 0 -49.41864 0.83254 1.66662 -49.26424 330.85039
1915.0000 21 0 -49.46528 0.76938 1.63775 -49.48400 285.46460
1920.0000 21 0 -49.27178 0.74833 1.64862 -49.40124 317.04419
1925.0000 21 0 -49.16509 0.99489 1.68195 -49.14757 345.12217
1930.0000 21 0 -49.22089 0.66418 1.67877 -49.17177 334.00365
1935.0000 21 0 -49.37239 0.75674 1.65245 -49.37209 307.96820
1940.0000 21 0 -49.35136 0.77972 1.66228 -49.29730 336.01767
1945.0000 21 0 -49.45813 0.71056 1.66616 -49.26777 331.56865
1950.0000 21 0 -49.27415 0.88445 1.64715 -49.41244 300.74243
1955.0000 21 0 -49.00477 1.00536 1.69043 -49.08304 376.75374
1960.0000 21 0 -49.07683 1.05361 1.69208 -49.07046 354.19095
1965.0000 21 0 -49.21258 0.91704 1.67630 -49.19060 306.25869
1970.0000 21 0 -48.81621 0.98028 1.68967 -49.08881 363.63897
1975.0000 21 0 -49.39567 0.84976 1.67959 -49.16551 356.33310
1980.0000 21 0 -49.22279 0.86811 1.65194 -49.37596 310.13994
1985.0000 21 0 -49.26119 0.88386 1.66284 -49.29301 308.81306
1990.0000 21 0 -49.05997 0.89740 1.68669 -49.11149 353.04285
1995.0000 21 0 -48.96630 1.12842 1.70260 -48.99036 364.33341
2000.0000 21 0 -49.53201 0.67800 1.66917 -49.24481 334.63436
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11403 -2.79599 1.03057
force_rgl> df(natom) 0.00000 0.00000 0.00000
2005.0000 22 0 -49.49545 0.87596 1.97956 -49.35767 313.62226
2010.0000 22 0 -50.24387 1.38685 1.91797 -49.84119 605.64783
2015.0000 22 0 -50.95990 1.52901 1.80518 -50.72676 505.96085
2020.0000 22 0 -51.78400 1.03184 1.71852 -51.40716 413.11561
2025.0000 22 0 -51.72014 1.05530 1.68482 -51.67176 358.55350
2030.0000 22 0 -51.65290 0.84735 1.70967 -51.47667 385.06137
2035.0000 22 0 -51.73764 0.88226 1.68972 -51.63331 368.76141
2040.0000 22 0 -51.95138 0.80672 1.67747 -51.72950 346.33247
2045.0000 22 0 -51.84836 0.90973 1.65796 -51.88262 317.65535
2050.0000 22 0 -51.98869 0.84263 1.65396 -51.91408 321.58958
2055.0000 22 0 -51.98963 0.73819 1.64094 -52.01631 300.22233
2060.0000 22 0 -51.89118 0.76851 1.65076 -51.93922 305.17914
2065.0000 22 0 -52.32805 0.85949 1.63999 -52.02374 301.92876
2070.0000 22 0 -52.08832 0.84643 1.60807 -52.27436 249.30564
2075.0000 22 0 -51.70691 0.94929 1.64533 -51.98183 308.52315
2080.0000 22 0 -51.57879 1.33172 1.69103 -51.62303 371.90256
2085.0000 22 0 -51.60107 0.98913 1.67633 -51.73845 347.86946
2090.0000 22 0 -51.73583 1.03857 1.67086 -51.78139 337.92199
2095.0000 22 0 -52.13294 0.66030 1.65310 -51.92078 311.37567
2100.0000 22 0 -52.00140 0.82912 1.61939 -52.18545 267.72586
2105.0000 22 0 -51.91250 0.78229 1.64945 -51.94946 308.16474
2110.0000 22 0 -52.03065 0.85055 1.64001 -52.02360 307.28617
2115.0000 22 0 -51.64757 0.93834 1.66868 -51.79852 346.68140
2120.0000 22 0 -51.85315 0.86435 1.66329 -51.84079 335.97968
2125.0000 22 0 -51.91657 0.78407 1.65956 -51.87007 325.46179
2130.0000 22 0 -52.17127 0.65019 1.64018 -52.02226 307.15881
2135.0000 22 0 -51.90227 0.79998 1.65203 -51.92924 322.44817
2140.0000 22 0 -51.56445 0.81381 1.67812 -51.72439 342.30525
2145.0000 22 0 -51.63649 0.95815 1.68281 -51.68757 341.86533
2150.0000 22 0 -51.97584 0.95752 1.67161 -51.77552 343.29741
2155.0000 22 0 -51.92188 0.82343 1.65213 -51.92841 312.38732
2160.0000 22 0 -52.07188 0.67256 1.64476 -51.98631 301.96135
2165.0000 22 0 -51.61949 1.02839 1.66816 -51.80260 334.58508
2170.0000 22 0 -51.68791 0.99408 1.67510 -51.74811 336.49813
2175.0000 22 0 -51.54009 1.15251 1.66550 -51.82347 331.11459
2180.0000 22 0 -51.88408 0.76695 1.68374 -51.68026 372.89946
2185.0000 22 0 -52.14111 0.75684 1.66758 -51.80710 339.56098
2190.0000 22 0 -52.09405 0.76904 1.65296 -51.92190 317.39052
2195.0000 22 0 -51.72476 1.04801 1.65477 -51.90771 328.36478
2200.0000 22 0 -51.88032 0.70132 1.66912 -51.79505 344.11382
2205.0000 22 0 -52.13348 0.77965 1.63527 -52.06080 299.01564
2210.0000 22 0 -52.16514 0.74789 1.63449 -52.06693 282.07091
2215.0000 22 0 -52.22749 0.69007 1.61019 -52.25774 257.54807
2220.0000 22 0 -52.21715 0.67297 1.60612 -52.28964 259.60129
2225.0000 22 0 -51.89234 0.89755 1.63253 -52.08228 294.05104
2230.0000 22 0 -52.03725 0.74782 1.64770 -51.96319 292.66972
2235.0000 22 0 -52.19824 0.66441 1.62817 -52.11657 284.60003
2240.0000 22 0 -52.09476 0.73856 1.60799 -52.27499 267.40140
2245.0000 22 0 -51.94833 0.90274 1.64181 -52.00944 306.41983
2250.0000 22 0 -51.64853 0.99402 1.65789 -51.88319 319.60768
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72638 -0.31671 0.45442
force_rgl> df(natom) 0.00000 0.00000 0.00000
2255.0000 23 0 -51.86796 0.89071 1.98569 -51.79058 338.40056
2260.0000 23 0 -53.03557 1.43675 1.92130 -52.31131 568.66553
2265.0000 23 0 -53.77316 0.88988 1.78798 -53.38959 457.10455
2270.0000 23 0 -54.20059 1.07895 1.69544 -54.13801 326.12388
2275.0000 23 0 -54.45499 0.90594 1.66333 -54.39773 316.11718
2280.0000 23 0 -54.65239 0.85444 1.65985 -54.42584 320.77929
2285.0000 23 0 -54.74689 0.82373 1.61816 -54.76300 271.10172
2290.0000 23 0 -54.56946 0.84285 1.63988 -54.58732 304.13410
2295.0000 23 0 -54.63654 0.89548 1.62688 -54.69246 283.04947
2300.0000 23 0 -54.06887 1.05778 1.66726 -54.36587 333.15724
2305.0000 23 0 -54.33286 0.93338 1.67016 -54.34247 313.65535
2310.0000 23 0 -54.33382 0.95985 1.65756 -54.44434 315.44782
2315.0000 23 0 -54.44089 0.79573 1.64909 -54.51288 303.88764
2320.0000 23 0 -54.85386 0.75648 1.62894 -54.67579 280.34469
2325.0000 23 0 -54.29934 1.03269 1.65801 -54.44072 333.50489
2330.0000 23 0 -54.50649 0.88998 1.64786 -54.52278 300.60057
2335.0000 23 0 -54.25180 1.02336 1.65285 -54.48247 287.21181
2340.0000 23 0 -54.29579 0.89960 1.66302 -54.40021 320.83153
2345.0000 23 0 -54.60912 0.71935 1.65024 -54.50352 309.85022
2350.0000 23 0 -54.59873 0.54217 1.65092 -54.49803 304.62825
2355.0000 23 0 -54.35294 1.05602 1.66132 -54.41397 318.49282
2360.0000 23 0 -54.21066 0.78234 1.69364 -54.15256 368.30820
2365.0000 23 0 -54.41654 0.70899 1.69139 -54.17073 363.26690
2370.0000 23 0 -54.59333 0.72770 1.64578 -54.53959 303.30452
2375.0000 23 0 -54.77007 0.82762 1.65511 -54.46420 316.38152
2380.0000 23 0 -54.34248 0.94823 1.65657 -54.45236 317.74446
2385.0000 23 0 -54.03681 0.98773 1.68015 -54.26165 351.95240
2390.0000 23 0 -54.10325 1.44273 1.70028 -54.09888 370.27476
2395.0000 23 0 -54.71468 0.63554 1.64139 -54.57512 289.66695
2400.0000 23 0 -55.05005 0.55529 1.60276 -54.88756 249.73390
2405.0000 23 0 -54.61246 0.97507 1.61104 -54.82062 254.48229
2410.0000 23 0 -54.62441 0.71742 1.65646 -54.45322 318.92952
2415.0000 23 0 -54.47969 0.91812 1.62755 -54.68703 275.03258
2420.0000 23 0 -54.27585 0.90504 1.67726 -54.28499 340.05672
2425.0000 23 0 -54.13539 0.89831 1.65352 -54.47700 317.42971
2430.0000 23 0 -54.38998 0.77457 1.69115 -54.17271 365.17925
2435.0000 23 0 -54.64580 0.86138 1.64359 -54.55737 299.30628
2440.0000 23 0 -54.71092 0.72415 1.64462 -54.54897 295.89480
2445.0000 23 0 -54.36255 1.13039 1.65523 -54.46321 310.00934
2450.0000 23 0 -54.52182 0.64522 1.66594 -54.37661 338.04521
2455.0000 23 0 -54.53316 0.73633 1.63090 -54.65998 277.54524
2460.0000 23 0 -54.68306 0.80849 1.62798 -54.68356 283.83407
2465.0000 23 0 -54.61431 0.67227 1.64496 -54.54626 296.39348
2470.0000 23 0 -54.62776 0.88028 1.63209 -54.65034 281.58732
2475.0000 23 0 -54.50391 0.67424 1.64811 -54.52075 306.19791
2480.0000 23 0 -54.09008 1.08933 1.68555 -54.21795 354.46023
2485.0000 23 0 -54.61211 0.88441 1.69244 -54.16222 359.36693
2490.0000 23 0 -54.54481 0.86006 1.66030 -54.42218 319.84987
2495.0000 23 0 -54.42555 0.88678 1.65863 -54.43573 314.09851
2500.0000 23 0 -54.46598 0.76765 1.66526 -54.38210 319.17356
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76446 1.41757 -2.70045
force_rgl> df(natom) 0.00000 0.00000 0.00000
2505.0000 24 0 -54.55930 1.57532 1.97119 -54.39908 349.76410
2510.0000 24 0 -56.24664 1.03315 1.83207 -55.55655 481.81836
2515.0000 24 0 -56.79396 0.85601 1.71795 -56.50607 345.14887
2520.0000 24 0 -56.63387 1.24960 1.66052 -56.98393 296.38705
2525.0000 24 0 -56.69688 0.86937 1.67458 -56.86689 307.59205
2530.0000 24 0 -56.72020 1.06236 1.70428 -56.61982 338.71333
2535.0000 24 0 -56.76084 1.10596 1.67312 -56.87906 312.94894
2540.0000 24 0 -57.12824 0.79946 1.66074 -56.98211 308.46657
2545.0000 24 0 -57.11154 0.86009 1.65141 -57.05974 282.57704
2550.0000 24 0 -56.91096 0.99210 1.64351 -57.12542 279.43361
2555.0000 24 0 -56.88292 0.81718 1.66090 -56.98076 305.18854
2560.0000 24 0 -57.04818 0.79182 1.64136 -57.14333 273.95005
2565.0000 24 0 -57.08405 0.55413 1.66255 -56.96701 291.25249
2570.0000 24 0 -57.14449 0.81962 1.64241 -57.13458 271.53225
2575.0000 24 0 -57.18315 0.87549 1.64820 -57.08642 284.95140
2580.0000 24 0 -57.18024 0.94940 1.64119 -57.14472 259.11350
2585.0000 24 0 -56.79977 1.11563 1.67849 -56.83443 323.42581
2590.0000 24 0 -56.72666 1.01772 1.68366 -56.79141 337.93938
2595.0000 24 0 -56.95274 0.91741 1.69030 -56.73617 322.82089
2600.0000 24 0 -56.60716 1.04387 1.67055 -56.90049 311.84733
2605.0000 24 0 -57.23888 0.90652 1.67667 -56.84958 312.91053
2610.0000 24 0 -57.05327 0.94012 1.63096 -57.22987 261.43416
2615.0000 24 0 -56.61923 1.07761 1.66761 -56.92494 306.01863
2620.0000 24 0 -56.97798 0.82483 1.68719 -56.76199 346.92056
2625.0000 24 0 -56.94845 0.73789 1.65730 -57.01072 292.36074
2630.0000 24 0 -57.08875 0.88783 1.65456 -57.03352 301.06811
2635.0000 24 0 -56.85945 0.95121 1.66064 -56.98295 301.15909
2640.0000 24 0 -56.58626 0.97817 1.67056 -56.90038 329.13044
2645.0000 24 0 -56.70521 1.01704 1.69438 -56.70216 337.40092
2650.0000 24 0 -56.95183 0.77377 1.67213 -56.88728 308.24234
2655.0000 24 0 -57.04367 0.86998 1.66944 -56.90972 309.62002
2660.0000 24 0 -56.93476 0.88520 1.64865 -57.08272 267.87102
2665.0000 24 0 -56.76201 0.99108 1.67228 -56.88608 297.83326
2670.0000 24 0 -57.29447 0.72634 1.67411 -56.87082 307.48938
2675.0000 24 0 -56.94072 1.02038 1.63838 -57.16810 255.42464
2680.0000 24 0 -57.10879 0.73768 1.64209 -57.13722 269.47005
2685.0000 24 0 -56.99912 0.84687 1.64126 -57.14414 272.14284
2690.0000 24 0 -56.67447 1.20793 1.66301 -56.96323 308.01195
2695.0000 24 0 -57.02519 0.91429 1.67396 -56.87209 328.86926
2700.0000 24 0 -57.25685 0.91457 1.63933 -57.16025 270.82774
2705.0000 24 0 -56.93768 1.02620 1.65146 -57.05932 283.33620
2710.0000 24 0 -56.93680 0.96985 1.65921 -56.99480 286.33468
2715.0000 24 0 -56.77544 0.96016 1.66737 -56.92689 301.89091
2720.0000 24 0 -56.98637 0.88096 1.65692 -57.01390 288.82201
2725.0000 24 0 -57.15696 0.73601 1.64777 -57.08999 281.32754
2730.0000 24 0 -56.96710 1.09957 1.66129 -56.97754 297.53905
2735.0000 24 0 -56.56835 1.05066 1.68590 -56.77278 329.42596
2740.0000 24 0 -56.21014 1.18222 1.72331 -56.46144 377.12559
2745.0000 24 0 -56.97024 0.89811 1.72948 -56.41013 376.33272
2750.0000 24 0 -56.91310 0.99251 1.66341 -56.95988 299.52660
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28626 -2.51196 -1.43756
force_rgl> df(natom) 0.00000 0.00000 0.00000
2755.0000 25 0 -57.02049 2.32901 1.95550 -57.03074 301.74247
2760.0000 25 0 -58.54061 1.31635 1.84928 -57.93885 514.04929
2765.0000 25 0 -58.94761 1.19440 1.75056 -58.78290 389.80447
2770.0000 25 0 -59.44156 0.85075 1.71293 -59.10467 346.30054
2775.0000 25 0 -59.33010 0.87636 1.68293 -59.36118 313.93212
2780.0000 25 0 -59.14727 1.07893 1.70251 -59.19371 339.57587
2785.0000 25 0 -59.22940 0.96666 1.71520 -59.08521 338.00752
2790.0000 25 0 -59.28504 0.90847 1.68533 -59.34063 312.08407
2795.0000 25 0 -59.16678 1.21259 1.67676 -59.41392 295.31249
2800.0000 25 0 -59.22955 0.99887 1.70248 -59.19401 342.26238
2805.0000 25 0 -58.99905 1.25554 1.72416 -59.00862 359.86823
2810.0000 25 0 -59.07350 0.95658 1.73543 -58.91228 366.01158
2815.0000 25 0 -58.57308 1.41502 1.75590 -58.73728 359.28705
2820.0000 25 0 -59.33538 1.09344 1.73211 -58.94065 416.98252
2825.0000 25 0 -59.52841 0.85097 1.67475 -59.43108 326.13427
2830.0000 25 0 -59.92365 0.70018 1.64670 -59.67091 281.09337
2835.0000 25 0 -59.81972 0.76846 1.60234 -60.05020 224.08188
2840.0000 25 0 -59.66662 0.89121 1.65262 -59.62029 286.60623
2845.0000 25 0 -59.59592 0.77901 1.65929 -59.56330 299.09384
2850.0000 25 0 -59.62860 1.10273 1.65572 -59.59381 301.16621
2855.0000 25 0 -59.69530 0.86351 1.65854 -59.56965 302.75233
2860.0000 25 0 -60.03901 0.73728 1.62336 -59.87051 247.73967
2865.0000 25 0 -59.85906 0.81094 1.61354 -59.95443 241.28652
2870.0000 25 0 -59.94254 0.82215 1.62073 -59.89293 249.07180
2875.0000 25 0 -59.96723 0.72366 1.60410 -60.03512 226.32412
2880.0000 25 0 -59.54924 0.84369 1.65108 -59.63343 282.05586
2885.0000 25 0 -59.67423 0.98927 1.64876 -59.65332 278.70101
2890.0000 25 0 -59.83490 0.88127 1.65813 -59.57318 292.67256
2895.0000 25 0 -59.68705 0.91162 1.64044 -59.72446 262.65375
2900.0000 25 0 -59.21344 0.95834 1.67558 -59.42403 318.67427
2905.0000 25 0 -59.48659 1.01584 1.71237 -59.10944 352.34678
2910.0000 25 0 -59.47883 1.15620 1.67531 -59.42632 317.50672
2915.0000 25 0 -59.71565 0.98248 1.64465 -59.68840 276.75993
2920.0000 25 0 -59.44334 1.03486 1.64840 -59.65635 287.22202
2925.0000 25 0 -59.60725 0.84009 1.68097 -59.37794 327.77291
2930.0000 25 0 -59.53296 0.84976 1.67347 -59.44204 317.24373
2935.0000 25 0 -59.34833 0.86694 1.67375 -59.43964 310.08986
2940.0000 25 0 -59.25282 1.09819 1.68760 -59.32124 336.52348
2945.0000 25 0 -59.16501 1.01940 1.69304 -59.27472 339.37563
2950.0000 25 0 -59.51569 0.83090 1.66589 -59.50681 303.94667
2955.0000 25 0 -59.28791 1.13861 1.66816 -59.48747 303.57459
2960.0000 25 0 -58.98347 0.98571 1.71837 -59.05818 362.63752
2965.0000 25 0 -59.29511 1.18942 1.71043 -59.12600 361.13091
2970.0000 25 0 -59.83908 0.94946 1.68585 -59.33619 344.82667
2975.0000 25 0 -59.14489 0.99542 1.66301 -59.53151 307.29011
2980.0000 25 0 -59.62754 0.84620 1.67115 -59.46187 314.39782
2985.0000 25 0 -59.29803 1.16760 1.66456 -59.51822 301.61688
2990.0000 25 0 -59.53153 0.90265 1.69146 -59.28820 345.52625
2995.0000 25 0 -59.62119 1.01230 1.65868 -59.56846 302.00980
3000.0000 25 0 -59.52524 0.93297 1.65845 -59.57044 310.83715
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.87718 -0.56766 2.05336
force_rgl> df(natom) 0.00000 0.00000 0.00000
3005.0000 26 0 -59.35871 2.10211 1.95069 -59.57999 317.04144
3010.0000 26 0 -60.67098 1.69842 1.88399 -60.16538 530.21530
3015.0000 26 0 -61.40216 1.27279 1.78389 -61.04392 435.71999
3020.0000 26 0 -61.96292 1.08668 1.72486 -61.56200 366.09666
3025.0000 26 0 -62.21576 0.93917 1.66889 -62.05320 301.61174
3030.0000 26 0 -61.83280 0.93665 1.69439 -61.82938 326.19551
3035.0000 26 0 -61.82993 1.23803 1.68892 -61.87741 330.73017
3040.0000 26 0 -62.21166 0.93166 1.64179 -62.29102 271.38420
3045.0000 26 0 -61.79973 1.10786 1.66793 -62.06161 299.93983
3050.0000 26 0 -61.80838 1.02424 1.70985 -61.69372 346.57938
3055.0000 26 0 -62.10404 0.83200 1.68743 -61.89046 326.23158
3060.0000 26 0 -62.11314 1.11654 1.68082 -61.94847 318.93875
3065.0000 26 0 -61.53171 1.28516 1.68958 -61.87156 335.65754
3070.0000 26 0 -62.17664 0.87830 1.67996 -61.95601 318.83219
3075.0000 26 0 -62.14610 1.14672 1.66068 -62.12520 283.01911
3080.0000 26 0 -62.18452 0.73825 1.64482 -62.26443 265.60936
3085.0000 26 0 -62.28543 0.84260 1.66206 -62.11310 294.62568
3090.0000 26 0 -62.04486 0.95668 1.65293 -62.19322 290.03349
3095.0000 26 0 -62.16660 1.07204 1.65353 -62.18796 291.01972
3100.0000 26 0 -61.99301 0.96410 1.66724 -62.06770 310.52408
3105.0000 26 0 -61.89215 1.06140 1.67988 -61.95670 326.09674
3110.0000 26 0 -62.17674 0.80691 1.64848 -62.23234 273.23504
3115.0000 26 0 -62.03751 0.97203 1.65896 -62.14030 288.48594
3120.0000 26 0 -62.40131 0.74067 1.65224 -62.19933 284.76067
3125.0000 26 0 -61.95618 0.99100 1.65802 -62.14857 292.59636
3130.0000 26 0 -62.21857 1.04381 1.67959 -61.95930 326.43426
3135.0000 26 0 -62.29051 0.91992 1.64441 -62.26803 281.70442
3140.0000 26 0 -62.20537 1.04701 1.65299 -62.19273 283.80267
3145.0000 26 0 -61.42741 1.18668 1.70246 -61.75854 358.18649
3150.0000 26 0 -61.62554 1.07694 1.73608 -61.46347 399.96371
3155.0000 26 0 -61.98128 1.03470 1.66762 -62.06433 303.85058
3160.0000 26 0 -62.03491 0.99230 1.67525 -61.99737 320.59431
3165.0000 26 0 -62.08594 1.12700 1.63930 -62.31290 277.55960
3170.0000 26 0 -61.85114 0.82639 1.66461 -62.09071 298.55797
3175.0000 26 0 -62.06895 0.95237 1.68565 -61.90605 327.79919
3180.0000 26 0 -61.81625 0.84653 1.67563 -61.99400 310.40577
3185.0000 26 0 -61.28189 1.47313 1.71951 -61.60893 363.82579
3190.0000 26 0 -61.86717 1.21275 1.72825 -61.53224 379.55199
3195.0000 26 0 -62.13747 1.07596 1.66678 -62.07171 304.61952
3200.0000 26 0 -62.04973 0.79441 1.65172 -62.20388 287.36112
3205.0000 26 0 -62.10249 0.97413 1.67827 -61.97083 313.60309
3210.0000 26 0 -61.97296 1.14579 1.68282 -61.93092 337.10993
3215.0000 26 0 -62.04501 1.23470 1.67267 -62.01998 311.88655
3220.0000 26 0 -62.00532 1.23399 1.66757 -62.06480 305.93137
3225.0000 26 0 -62.22124 1.19213 1.66346 -62.10082 308.90336
3230.0000 26 0 -61.81736 0.97130 1.67244 -62.02207 308.06529
3235.0000 26 0 -61.68811 1.36226 1.71854 -61.61743 380.21725
3240.0000 26 0 -61.64788 1.23899 1.71245 -61.67092 367.03314
3245.0000 26 0 -62.08195 0.87890 1.68309 -61.92858 313.06160
3250.0000 26 0 -61.77318 1.27023 1.68278 -61.93131 321.10451
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.29024 0.45234 -3.34472
force_rgl> df(natom) 0.00000 0.00000 0.00000
3255.0000 27 0 -61.97684 2.41395 1.96858 -61.93276 329.55551
3260.0000 27 0 -63.51803 1.48973 1.87622 -62.76402 537.02304
3265.0000 27 0 -64.40403 1.38708 1.75924 -63.81688 409.70407
3270.0000 27 0 -64.38216 1.29893 1.68891 -64.44983 326.10171
3275.0000 27 0 -64.63620 0.84706 1.68556 -64.47999 316.52789
3280.0000 27 0 -64.46598 0.99806 1.67502 -64.57484 308.58349
3285.0000 27 0 -64.74867 0.81302 1.67164 -64.60523 301.02067
3290.0000 27 0 -64.59458 1.07841 1.66690 -64.64786 288.21068
3295.0000 27 0 -65.06550 0.94031 1.64849 -64.81361 282.95994
3300.0000 27 0 -65.00233 0.77485 1.62470 -65.02772 247.66700
3305.0000 27 0 -64.92033 0.85260 1.64559 -64.83972 273.33034
3310.0000 27 0 -64.74574 1.06935 1.65302 -64.77280 284.03919
3315.0000 27 0 -64.49036 1.05177 1.65684 -64.73843 286.88013
3320.0000 27 0 -64.79277 0.78634 1.66277 -64.68511 293.17146
3325.0000 27 0 -64.77809 1.12775 1.65033 -64.79705 285.73120
3330.0000 27 0 -64.34147 1.30695 1.68540 -64.48144 320.56995
3335.0000 27 0 -64.51894 0.87500 1.68489 -64.48602 317.43256
3340.0000 27 0 -64.60392 0.83214 1.67435 -64.58088 307.53857
3345.0000 27 0 -64.41389 0.83285 1.69902 -64.35886 341.53421
3350.0000 27 0 -64.28992 1.13310 1.69207 -64.42141 333.13873
3355.0000 27 0 -64.24858 1.44831 1.70802 -64.27785 354.30298
3360.0000 27 0 -64.23745 1.36956 1.71115 -64.24967 354.21257
3365.0000 27 0 -63.98195 1.41695 1.72637 -64.11271 375.28115
3370.0000 27 0 -64.45833 1.20059 1.69761 -64.37154 338.41882
3375.0000 27 0 -64.23581 1.12799 1.69875 -64.36129 325.03987
3380.0000 27 0 -64.57638 1.06565 1.68169 -64.51476 321.39401
3385.0000 27 0 -64.54784 1.10365 1.69926 -64.35667 337.11184
3390.0000 27 0 -64.73488 0.84710 1.66356 -64.67799 291.93526
3395.0000 27 0 -64.66833 1.01185 1.67257 -64.59685 307.13327
3400.0000 27 0 -64.58273 1.03771 1.65495 -64.75549 280.55654
3405.0000 27 0 -64.67325 1.10386 1.68018 -64.52839 328.47318
3410.0000 27 0 -64.66589 1.03086 1.66897 -64.62929 291.48730
3415.0000 27 0 -64.45802 0.97303 1.68674 -64.46931 326.03700
3420.0000 27 0 -64.51358 1.13915 1.69639 -64.38246 342.23207
3425.0000 27 0 -64.41060 1.11006 1.68280 -64.50483 316.19631
3430.0000 27 0 -64.47612 1.02139 1.68508 -64.48425 320.58241
3435.0000 27 0 -64.44993 0.89525 1.67951 -64.53438 309.81064
3440.0000 27 0 -64.84151 1.00813 1.66116 -64.69956 291.62105
3445.0000 27 0 -64.94088 1.12415 1.63102 -64.97079 247.03778
3450.0000 27 0 -64.80735 1.02402 1.66260 -64.68660 294.93621
3455.0000 27 0 -64.77505 0.99935 1.66489 -64.66602 293.00821
3460.0000 27 0 -64.93848 1.00703 1.65001 -64.79987 270.58944
3465.0000 27 0 -64.59245 1.16101 1.63932 -64.89613 264.63528
3470.0000 27 0 -64.57225 0.93361 1.65376 -64.76616 293.54786
3475.0000 27 0 -64.84419 1.04596 1.65417 -64.76247 294.42457
3480.0000 27 0 -64.45590 1.30545 1.68018 -64.52835 318.09659
3485.0000 27 0 -64.87917 0.90637 1.65187 -64.78317 281.87320
3490.0000 27 0 -64.74697 0.94688 1.64268 -64.86587 272.81312
3495.0000 27 0 -64.42033 1.02331 1.67094 -64.61156 311.81374
3500.0000 27 0 -64.69441 1.08347 1.67060 -64.61462 308.88789
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54074 0.04267 -1.61004
force_rgl> df(natom) 0.00000 0.00000 0.00000
3505.0000 28 0 -64.89622 1.92706 1.95006 -64.61873 306.89748
3510.0000 28 0 -65.97117 1.71103 1.88643 -65.20549 534.91817
3515.0000 28 0 -67.16703 1.11026 1.72940 -66.65340 378.52456
3520.0000 28 0 -67.11965 1.09553 1.67080 -67.19373 303.71688
3525.0000 28 0 -67.42315 0.94135 1.66826 -67.21716 305.72754
3530.0000 28 0 -67.30269 1.09178 1.67155 -67.18686 323.43208
3535.0000 28 0 -67.27572 1.11300 1.66301 -67.26562 299.58166
3540.0000 28 0 -67.24413 0.85449 1.66672 -67.23136 306.87780
3545.0000 28 0 -67.06385 1.08876 1.68451 -67.06733 325.43319
3550.0000 28 0 -66.98558 1.10920 1.69869 -66.93662 342.50537
3555.0000 28 0 -66.87291 1.26096 1.69746 -66.94792 332.97153
3560.0000 28 0 -66.88478 1.17491 1.69451 -66.97510 319.09342
3565.0000 28 0 -66.69483 1.15435 1.70722 -66.85791 334.81771
3570.0000 28 0 -66.64204 1.33657 1.72760 -66.67001 364.12382
3575.0000 28 0 -66.81765 1.13847 1.70813 -66.84958 332.02046
3580.0000 28 0 -66.62497 1.21696 1.70803 -66.85049 328.26380
3585.0000 28 0 -66.60115 1.25936 1.72662 -66.67910 350.86940
3590.0000 28 0 -66.99243 1.19035 1.71592 -66.77771 336.76656
3595.0000 28 0 -67.05767 1.06607 1.67809 -67.12657 291.69044
3600.0000 28 0 -66.86597 1.00028 1.69550 -66.96601 311.90119
3605.0000 28 0 -67.07489 0.82571 1.67789 -67.12838 306.94359
3610.0000 28 0 -66.65138 1.26861 1.69250 -66.99364 346.22451
3615.0000 28 0 -67.24072 1.07505 1.67888 -67.11927 314.62504
3620.0000 28 0 -67.32343 0.94921 1.65392 -67.34940 264.30269
3625.0000 28 0 -66.63280 1.14777 1.70184 -66.90759 329.19965
3630.0000 28 0 -66.69718 1.22270 1.72991 -66.64876 361.89385
3635.0000 28 0 -66.60688 1.19789 1.72235 -66.71847 359.88933
3640.0000 28 0 -66.65719 1.24359 1.71774 -66.76098 360.66147
3645.0000 28 0 -66.87671 1.26118 1.72615 -66.68339 352.37998
3650.0000 28 0 -67.34539 1.10168 1.68360 -67.07569 311.98701
3655.0000 28 0 -67.01692 1.17145 1.67964 -67.11228 301.23550
3660.0000 28 0 -67.01596 1.20370 1.68882 -67.02756 313.56166
3665.0000 28 0 -66.99755 1.04768 1.69305 -66.98859 319.17215
3670.0000 28 0 -67.03099 1.06886 1.69503 -66.97033 314.25439
3675.0000 28 0 -66.99955 1.13030 1.70456 -66.88246 335.31214
3680.0000 28 0 -67.06039 1.21388 1.69791 -66.94382 318.38259
3685.0000 28 0 -67.00048 1.20564 1.69665 -66.95536 321.85472
3690.0000 28 0 -67.19036 0.86081 1.67841 -67.12363 300.42769
3695.0000 28 0 -66.64562 1.25479 1.70646 -66.86494 338.56732
3700.0000 28 0 -66.76926 1.25965 1.72785 -66.66773 356.61920
3705.0000 28 0 -67.19818 1.05229 1.68278 -67.08327 316.82046
3710.0000 28 0 -67.45060 0.87224 1.66009 -67.29257 289.13322
3715.0000 28 0 -67.06185 1.03984 1.66161 -67.27847 279.17988
3720.0000 28 0 -67.38293 0.88084 1.66121 -67.28216 292.64967
3725.0000 28 0 -67.69360 0.81106 1.63755 -67.50035 256.90351
3730.0000 28 0 -67.37466 0.97726 1.63726 -67.50308 246.83437
3735.0000 28 0 -67.20006 1.05193 1.66761 -67.22322 292.89339
3740.0000 28 0 -66.99081 1.14361 1.67218 -67.18108 298.74254
3745.0000 28 0 -67.09341 0.90445 1.68493 -67.06349 306.14392
3750.0000 28 0 -67.02507 1.17588 1.69627 -66.95893 329.09409
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.03083 -1.03273 -2.46898
force_rgl> df(natom) 0.00000 0.00000 0.00000
3755.0000 29 0 -66.58166 2.81608 1.98533 -66.81024 368.27001
3760.0000 29 0 -68.16857 1.70925 1.90558 -67.56296 506.95746
3765.0000 29 0 -68.97313 1.35165 1.77651 -68.78129 373.18900
3770.0000 29 0 -69.23999 1.30233 1.74046 -69.12154 352.28040
3775.0000 29 0 -70.05083 0.87471 1.69840 -69.51858 318.08785
3780.0000 29 0 -69.72430 0.97262 1.67814 -69.70982 287.30034
3785.0000 29 0 -69.54016 1.24039 1.70038 -69.49992 314.86283
3790.0000 29 0 -69.28395 0.97487 1.71985 -69.31608 341.59395
3795.0000 29 0 -69.36431 1.35818 1.70381 -69.46751 326.44348
3800.0000 29 0 -69.82571 1.08364 1.68373 -69.65705 296.14111
3805.0000 29 0 -69.72557 1.11522 1.68013 -69.69104 289.70351
3810.0000 29 0 -69.69527 1.05445 1.68048 -69.68769 292.76805
3815.0000 29 0 -69.50430 1.21826 1.70783 -69.42958 331.76054
3820.0000 29 0 -69.60152 1.04779 1.68658 -69.63018 306.05923
3825.0000 29 0 -69.71828 1.13144 1.67781 -69.71296 301.44258
3830.0000 29 0 -69.86202 0.77618 1.67558 -69.73394 295.87885
3835.0000 29 0 -69.66560 1.01455 1.67498 -69.73962 294.80310
3840.0000 29 0 -69.64323 1.16774 1.66857 -69.80014 286.67569
3845.0000 29 0 -70.06730 0.84680 1.66115 -69.87018 277.49030
3850.0000 29 0 -69.68372 1.18000 1.66533 -69.83072 286.91111
3855.0000 29 0 -69.43679 1.18305 1.67757 -69.71520 292.67090
3860.0000 29 0 -69.83962 0.95758 1.66359 -69.84714 280.71062
3865.0000 29 0 -69.85977 0.98056 1.66738 -69.81137 283.32653
3870.0000 29 0 -69.77369 1.17234 1.65419 -69.93588 271.66795
3875.0000 29 0 -69.48809 1.07997 1.68679 -69.62816 306.76386
3880.0000 29 0 -69.49995 1.29476 1.68789 -69.61778 298.37180
3885.0000 29 0 -70.19046 0.87977 1.65620 -69.91687 252.68841
3890.0000 29 0 -69.77574 0.85022 1.65965 -69.88438 250.36103
3895.0000 29 0 -69.51106 1.37021 1.69192 -69.57978 297.23457
3900.0000 29 0 -69.79676 0.88687 1.67750 -69.71582 293.35851
3905.0000 29 0 -69.66433 1.20482 1.67467 -69.74254 289.75048
3910.0000 29 0 -70.09659 0.63646 1.67996 -69.69264 291.28063
3915.0000 29 0 -69.76679 0.91497 1.64503 -70.02238 242.91951
3920.0000 29 0 -69.65703 0.97027 1.69384 -69.56159 322.34089
3925.0000 29 0 -69.91572 0.93213 1.68058 -69.68682 304.18344
3930.0000 29 0 -69.89333 1.01193 1.66549 -69.82919 288.16904
3935.0000 29 0 -69.92987 0.83653 1.65896 -69.89089 272.02216
3940.0000 29 0 -69.89993 0.98432 1.66165 -69.86548 278.22129
3945.0000 29 0 -69.73068 1.14860 1.68070 -69.68564 300.70044
3950.0000 29 0 -69.69288 1.14192 1.67115 -69.77581 295.90998
3955.0000 29 0 -69.74232 1.02326 1.67732 -69.71756 303.77743
3960.0000 29 0 -70.08974 0.90633 1.66680 -69.81682 281.20878
3965.0000 29 0 -70.01883 1.13080 1.65258 -69.95111 264.11272
3970.0000 29 0 -69.51916 1.10121 1.64107 -70.05975 252.70444
3975.0000 29 0 -69.52286 1.23110 1.68598 -69.63577 322.82322
3980.0000 29 0 -69.45647 1.11352 1.68043 -69.68823 307.33563
3985.0000 29 0 -69.68599 0.98262 1.68443 -69.65048 304.96444
3990.0000 29 0 -69.75133 1.11601 1.66939 -69.79241 293.94832
3995.0000 29 0 -69.87943 0.90782 1.68720 -69.62432 312.82817
4000.0000 29 0 -69.72571 1.11772 1.67609 -69.72917 299.80980
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82801 -4.29388 -0.80933
force_rgl> df(natom) 0.00000 0.00000 0.00000
4005.0000 30 0 -69.46411 2.50084 1.95268 -69.64708 326.08682
4010.0000 30 0 -71.42396 1.55876 1.85063 -70.63241 488.59940
4015.0000 30 0 -70.92649 1.78106 1.78385 -71.27711 425.83592
4020.0000 30 0 -71.73589 1.37609 1.78217 -71.29332 419.54206
4025.0000 30 0 -71.81893 1.24957 1.73163 -71.78133 360.67990
4030.0000 30 0 -72.29869 1.33907 1.70593 -72.02938 338.91045
4035.0000 30 0 -71.91729 1.42309 1.71179 -71.97290 337.93815
4040.0000 30 0 -71.60076 1.30803 1.74019 -71.69863 368.50265
4045.0000 30 0 -71.95548 1.38482 1.72460 -71.84921 349.43843
4050.0000 30 0 -72.02416 1.24503 1.74240 -71.67735 361.98153
4055.0000 30 0 -71.92714 1.30127 1.71069 -71.98343 331.48059
4060.0000 30 0 -72.10248 1.30139 1.72690 -71.82696 359.34225
4065.0000 30 0 -72.39489 1.23252 1.69122 -72.17144 312.67206
4070.0000 30 0 -72.10276 1.18440 1.68627 -72.21928 308.57484
4075.0000 30 0 -71.99777 1.02144 1.69693 -72.11635 312.00048
4080.0000 30 0 -72.14184 1.26788 1.67889 -72.29052 303.76316
4085.0000 30 0 -72.16600 1.44917 1.69654 -72.12012 321.79506
4090.0000 30 0 -72.11450 1.23438 1.67305 -72.34688 299.12995
4095.0000 30 0 -72.14762 1.14396 1.67779 -72.30108 302.17934
4100.0000 30 0 -72.06138 1.11152 1.71135 -71.97711 341.65124
4105.0000 30 0 -71.97609 1.42847 1.70617 -72.02714 338.77156
4110.0000 30 0 -72.79560 1.03515 1.65491 -72.52201 280.53463
4115.0000 30 0 -72.31518 0.98883 1.66156 -72.45780 288.55382
4120.0000 30 0 -72.24770 1.23192 1.68928 -72.19020 318.06694
4125.0000 30 0 -72.58240 1.10160 1.68251 -72.25556 310.67360
4130.0000 30 0 -72.50574 1.07392 1.64876 -72.58136 264.61607
4135.0000 30 0 -71.90609 1.22544 1.68368 -72.24424 310.21380
4140.0000 30 0 -71.88469 1.28724 1.72401 -71.85486 340.52477
4145.0000 30 0 -72.10693 1.05584 1.69840 -72.10217 315.62348
4150.0000 30 0 -71.90475 1.37432 1.71483 -71.94350 338.31989
4155.0000 30 0 -71.87603 1.32417 1.71383 -71.95318 346.66542
4160.0000 30 0 -72.14056 1.30813 1.69266 -72.15759 313.15739
4165.0000 30 0 -72.28044 1.14418 1.66303 -72.44363 280.91341
4170.0000 30 0 -72.45605 1.04885 1.67418 -72.33598 303.19385
4175.0000 30 0 -72.38713 1.20636 1.65390 -72.53177 268.79119
4180.0000 30 0 -72.42127 0.77959 1.67270 -72.35026 294.60574
4185.0000 30 0 -71.96388 1.48345 1.67411 -72.33662 296.57533
4190.0000 30 0 -71.48453 1.42662 1.72600 -71.83565 366.02803
4195.0000 30 0 -71.29661 1.59904 1.76530 -71.45622 411.50821
4200.0000 30 0 -72.24485 1.19642 1.73997 -71.70076 382.59983
4205.0000 30 0 -72.23508 1.26754 1.69404 -72.14425 321.37986
4210.0000 30 0 -72.69531 1.01872 1.65955 -72.47719 280.26418
4215.0000 30 0 -72.42468 1.03647 1.63750 -72.69008 252.27796
4220.0000 30 0 -72.21008 1.36421 1.68400 -72.24112 319.60425
4225.0000 30 0 -72.32559 1.15335 1.66828 -72.39290 299.16195
4230.0000 30 0 -72.37074 1.21291 1.68435 -72.23775 303.75203
4235.0000 30 0 -72.11050 1.10674 1.68336 -72.24732 305.95442
4240.0000 30 0 -72.45661 1.04876 1.68670 -72.21510 312.25828
4245.0000 30 0 -71.86545 1.14854 1.67420 -72.33574 297.12210
4250.0000 30 0 -71.62268 1.52902 1.73937 -71.70655 375.42163
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47275 -0.37583 2.94437
force_rgl> df(natom) 0.00000 0.00000 0.00000
4255.0000 31 0 -72.16292 1.39743 1.98772 -71.83466 351.13094
4260.0000 31 0 -73.42390 1.29775 1.90649 -72.63625 496.77050
4265.0000 31 0 -74.66478 1.41088 1.75117 -74.16899 380.44494
4270.0000 31 0 -75.01337 0.93126 1.70228 -74.65142 325.09320
4275.0000 31 0 -75.11784 1.05856 1.65887 -75.07978 276.53985
4280.0000 31 0 -75.15911 1.04929 1.66061 -75.06265 284.66649
4285.0000 31 0 -74.77891 1.29554 1.67825 -74.88860 298.42978
4290.0000 31 0 -74.80186 1.13466 1.69287 -74.74431 317.70835
4295.0000 31 0 -75.11490 0.81989 1.68911 -74.78138 314.20433
4300.0000 31 0 -74.78902 1.43901 1.67659 -74.90497 294.50542
4305.0000 31 0 -75.15001 0.98522 1.67515 -74.91914 296.31200
4310.0000 31 0 -74.82307 1.24126 1.68739 -74.79833 309.90485
4315.0000 31 0 -75.15557 0.99425 1.66837 -74.98606 285.79817
4320.0000 31 0 -75.22862 0.98612 1.65555 -75.11262 272.38725
4325.0000 31 0 -75.09605 1.15868 1.63344 -75.33080 242.72505
4330.0000 31 0 -75.15431 0.88803 1.66666 -75.00297 283.23862
4335.0000 31 0 -74.74133 1.12904 1.67028 -74.96723 292.18657
4340.0000 31 0 -74.77219 1.25407 1.68947 -74.77784 319.63952
4345.0000 31 0 -75.05351 1.09750 1.67922 -74.87899 298.97584
4350.0000 31 0 -74.95582 1.22468 1.66842 -74.98562 286.80198
4355.0000 31 0 -74.61938 1.45420 1.68685 -74.80370 314.75177
4360.0000 31 0 -75.08163 1.04832 1.68282 -74.84349 311.33713
4365.0000 31 0 -75.33591 0.94530 1.64837 -75.18344 271.20478
4370.0000 31 0 -75.29133 0.99791 1.65141 -75.15341 271.13345
4375.0000 31 0 -74.70077 1.30383 1.67397 -74.93080 297.77161
4380.0000 31 0 -74.93063 1.05640 1.69381 -74.73502 324.69301
4385.0000 31 0 -75.30297 0.90953 1.65209 -75.14677 268.23054
4390.0000 31 0 -74.53496 1.11932 1.67053 -74.96480 288.67648
4395.0000 31 0 -74.82567 1.38081 1.67993 -74.87201 297.55834
4400.0000 31 0 -74.88936 0.86972 1.67831 -74.88797 297.22246
4405.0000 31 0 -74.90006 1.40106 1.68350 -74.83672 300.85949
4410.0000 31 0 -74.71953 1.21555 1.69629 -74.71058 318.50878
4415.0000 31 0 -74.65819 1.11181 1.70055 -74.66847 328.24345
4420.0000 31 0 -74.34092 1.42699 1.71658 -74.51030 346.17173
4425.0000 31 0 -74.32204 1.28762 1.72776 -74.39997 360.08020
4430.0000 31 0 -74.69198 1.33882 1.71716 -74.50461 344.64710
4435.0000 31 0 -74.79102 1.32319 1.68544 -74.81762 293.45548
4440.0000 31 0 -74.64700 1.37906 1.68995 -74.77315 302.54215
4445.0000 31 0 -74.37844 1.28541 1.71870 -74.48943 327.30499
4450.0000 31 0 -74.67695 1.03655 1.71163 -74.55921 326.97792
4455.0000 31 0 -74.49904 1.42731 1.72091 -74.46762 332.32950
4460.0000 31 0 -74.30724 1.23405 1.71559 -74.52014 337.86282
4465.0000 31 0 -74.16484 1.22186 1.73625 -74.31619 341.69905
4470.0000 31 0 -74.22101 1.36469 1.75422 -74.13889 359.91262
4475.0000 31 0 -74.33153 1.40617 1.74591 -74.22088 371.15145
4480.0000 31 0 -74.79619 1.31534 1.71299 -74.54580 336.04339
4485.0000 31 0 -74.80510 1.15770 1.66301 -75.03892 281.22664
4490.0000 31 0 -74.88971 0.93157 1.67084 -74.96174 292.43329
4495.0000 31 0 -74.90330 1.03922 1.67227 -74.94758 294.65252
4500.0000 31 0 -74.90711 1.03232 1.67438 -74.92679 292.46055
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15402 -1.56714 3.46878
force_rgl> df(natom) 0.00000 0.00000 0.00000
4505.0000 32 0 -75.18452 2.04284 1.96587 -74.58522 348.09115
4510.0000 32 0 -76.70407 1.53083 1.82963 -75.95852 444.63394
4515.0000 32 0 -77.41565 1.19991 1.73541 -76.90815 342.46730
4520.0000 32 0 -77.16815 1.26033 1.69635 -77.30183 311.92975
4525.0000 32 0 -77.43783 1.30673 1.69515 -77.31396 303.97662
4530.0000 32 0 -77.31936 1.48646 1.69218 -77.34388 295.95282
4535.0000 32 0 -77.19729 1.41133 1.70490 -77.21565 317.00216
4540.0000 32 0 -77.06547 1.47186 1.72220 -77.04128 348.39594
4545.0000 32 0 -77.33802 1.06383 1.71039 -77.16031 310.42174
4550.0000 32 0 -77.42674 1.09402 1.68742 -77.39182 292.11131
4555.0000 32 0 -77.48876 1.22213 1.68493 -77.41693 279.15971
4560.0000 32 0 -77.00414 1.37790 1.70065 -77.25851 303.76065
4565.0000 32 0 -77.26085 1.15896 1.70837 -77.18066 313.22274
4570.0000 32 0 -77.07062 1.15790 1.70773 -77.18712 311.30402
4575.0000 32 0 -77.53054 1.13065 1.70185 -77.24640 307.29425
4580.0000 32 0 -77.35328 1.17927 1.69093 -77.35645 286.99646
4585.0000 32 0 -77.08797 1.09402 1.69049 -77.36089 299.43750
4590.0000 32 0 -77.34222 1.21730 1.71678 -77.09599 319.86830
4595.0000 32 0 -77.26487 1.38870 1.69064 -77.35941 287.30561
4600.0000 32 0 -77.80710 1.05255 1.66047 -77.66356 271.73108
4605.0000 32 0 -77.66802 1.06574 1.65309 -77.73794 256.52053
4610.0000 32 0 -77.55387 0.82297 1.65905 -77.67778 256.72597
4615.0000 32 0 -77.38744 1.13186 1.68741 -77.39202 284.19577
4620.0000 32 0 -77.66556 1.04907 1.66988 -77.56871 267.53973
4625.0000 32 0 -77.72984 1.08118 1.64843 -77.78489 263.19955
4630.0000 32 0 -77.85985 0.93586 1.64594 -77.80993 251.41362
4635.0000 32 0 -77.57094 0.94218 1.66294 -77.63862 273.31721
4640.0000 32 0 -77.19595 1.38204 1.68709 -77.39521 311.19648
4645.0000 32 0 -77.14780 1.17106 1.73850 -76.87700 355.02417
4650.0000 32 0 -77.26895 1.27244 1.69524 -77.31304 298.29996
4655.0000 32 0 -77.29252 1.28819 1.68100 -77.45655 299.40384
4660.0000 32 0 -77.37606 1.21237 1.68341 -77.43227 295.16189
4665.0000 32 0 -77.61464 1.07562 1.66754 -77.59229 278.09934
4670.0000 32 0 -77.24740 1.34488 1.68896 -77.37638 300.01448
4675.0000 32 0 -77.24668 1.20357 1.68668 -77.39936 300.53877
4680.0000 32 0 -77.43476 1.14820 1.70843 -77.18007 326.12229
4685.0000 32 0 -77.03445 1.37145 1.71059 -77.15835 325.28900
4690.0000 32 0 -77.22021 1.28285 1.70942 -77.17014 332.38244
4695.0000 32 0 -77.70702 1.21530 1.67942 -77.47254 295.57513
4700.0000 32 0 -77.19014 1.12174 1.69229 -77.34276 309.89051
4705.0000 32 0 -77.45679 1.28831 1.69161 -77.34964 303.37893
4710.0000 32 0 -76.92949 1.43828 1.70334 -77.23138 328.14258
4715.0000 32 0 -76.81102 1.45630 1.74457 -76.81582 363.08989
4720.0000 32 0 -76.91699 1.53320 1.72534 -77.00968 331.18635
4725.0000 32 0 -77.03834 1.35362 1.72312 -77.03199 331.13841
4730.0000 32 0 -77.35780 1.05353 1.70317 -77.23309 317.28923
4735.0000 32 0 -76.91674 1.25796 1.71587 -77.10511 312.01187
4740.0000 32 0 -77.60168 1.05979 1.69075 -77.35829 285.33130
4745.0000 32 0 -77.31773 1.33572 1.65903 -77.67804 275.29527
4750.0000 32 0 -76.93677 1.38885 1.70102 -77.25484 314.94150
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76383 -1.64543 -0.63466
force_rgl> df(natom) 0.00000 0.00000 0.00000
4755.0000 33 0 -77.28063 1.76194 1.96248 -77.15947 329.03452
4760.0000 33 0 -78.21527 1.89053 1.88326 -77.97455 490.07664
4765.0000 33 0 -79.31069 1.52482 1.77650 -79.07287 387.03721
4770.0000 33 0 -80.04226 0.84774 1.70979 -79.75925 305.55695
4775.0000 33 0 -79.71613 1.36946 1.70476 -79.81099 301.08622
4780.0000 33 0 -79.76349 1.38396 1.72505 -79.60216 327.83324
4785.0000 33 0 -79.26297 1.23842 1.73480 -79.50185 355.75107
4790.0000 33 0 -79.67045 1.54206 1.73731 -79.47611 350.32888
4795.0000 33 0 -79.03036 1.72521 1.74090 -79.43911 358.54797
4800.0000 33 0 -79.71885 1.10990 1.73481 -79.50184 347.62676
4805.0000 33 0 -79.72111 1.54923 1.72165 -79.63721 332.07497
4810.0000 33 0 -79.95689 1.39511 1.68551 -80.00899 296.71502
4815.0000 33 0 -80.11133 1.07711 1.67907 -80.07526 284.15548
4820.0000 33 0 -79.63690 1.34664 1.68174 -80.04782 289.68131
4825.0000 33 0 -79.48734 1.45347 1.72786 -79.57330 344.70340
4830.0000 33 0 -79.39555 1.69906 1.73802 -79.46874 355.73548
4835.0000 33 0 -79.77198 1.32424 1.72467 -79.60607 339.15867
4840.0000 33 0 -79.99902 1.22189 1.70586 -79.79967 308.65862
4845.0000 33 0 -79.99694 1.27936 1.67179 -80.15017 276.20133
4850.0000 33 0 -79.41486 1.59899 1.72033 -79.65075 328.49430
4855.0000 33 0 -79.69537 1.15528 1.74475 -79.39956 338.17003
4860.0000 33 0 -79.64343 1.12686 1.72092 -79.64467 327.12306
4865.0000 33 0 -80.02734 1.16292 1.70075 -79.85218 317.29654
4870.0000 33 0 -79.88317 1.22354 1.69530 -79.90827 304.65527
4875.0000 33 0 -79.81122 1.45624 1.69114 -79.95108 302.02897
4880.0000 33 0 -79.41613 1.41658 1.73669 -79.48244 346.28107
4885.0000 33 0 -80.13162 1.17382 1.72262 -79.62717 331.46755
4890.0000 33 0 -80.06387 1.19432 1.68271 -80.03780 286.01981
4895.0000 33 0 -80.05119 1.28271 1.68925 -79.97052 295.04555
4900.0000 33 0 -79.33717 1.51836 1.71021 -79.75492 313.04972
4905.0000 33 0 -79.96667 1.19339 1.70806 -79.77698 318.99097
4910.0000 33 0 -79.56596 1.61159 1.71052 -79.75173 317.76499
4915.0000 33 0 -79.66008 1.56488 1.72580 -79.59450 337.80734
4920.0000 33 0 -79.63897 1.18715 1.70482 -79.81030 319.73321
4925.0000 33 0 -79.37848 1.49172 1.73466 -79.50336 341.75679
4930.0000 33 0 -79.63585 1.30352 1.74155 -79.43247 354.55062
4935.0000 33 0 -79.42893 1.55586 1.71949 -79.65943 327.40951
4940.0000 33 0 -79.71128 1.58772 1.71901 -79.66439 329.27801
4945.0000 33 0 -80.26893 1.03937 1.69732 -79.88749 308.71686
4950.0000 33 0 -80.17950 1.14670 1.67694 -80.09719 281.91108
4955.0000 33 0 -79.83613 1.19559 1.68212 -80.04387 290.75149
4960.0000 33 0 -80.09559 1.42774 1.70830 -79.77454 311.47359
4965.0000 33 0 -79.73813 1.42815 1.70285 -79.83056 319.40695
4970.0000 33 0 -79.60486 1.42924 1.71853 -79.66933 338.44404
4975.0000 33 0 -79.88759 1.46833 1.70145 -79.84504 307.77340
4980.0000 33 0 -80.22528 1.28509 1.69597 -79.90134 311.95677
4985.0000 33 0 -80.04522 1.21307 1.68711 -79.99257 303.13135
4990.0000 33 0 -80.08336 1.09795 1.67898 -80.07623 294.76403
4995.0000 33 0 -79.85778 1.23197 1.67494 -80.11778 277.86468
5000.0000 33 0 -79.76353 1.57755 1.71831 -79.67157 341.44020
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38912 -1.05505 3.13624
force_rgl> df(natom) 0.00000 0.00000 0.00000
5005.0000 34 0 -80.04635 2.51996 1.94054 -79.93386 310.84333
5010.0000 34 0 -81.19992 1.80856 1.87849 -80.58512 479.43251
5015.0000 34 0 -81.46564 1.80882 1.79710 -81.43926 398.50196
5020.0000 34 0 -81.86237 1.57833 1.79096 -81.50368 391.53259
5025.0000 34 0 -82.00560 1.34960 1.73987 -82.03989 328.18781
5030.0000 34 0 -82.21197 1.18120 1.73670 -82.07320 314.09293
5035.0000 34 0 -82.28237 1.30725 1.70946 -82.35904 294.69538
5040.0000 34 0 -82.25083 1.19291 1.70080 -82.45001 289.91059
5045.0000 34 0 -82.58164 1.12079 1.70832 -82.37107 295.09283
5050.0000 34 0 -82.38553 1.17584 1.68806 -82.58371 277.27182
5055.0000 34 0 -82.53991 1.09239 1.70398 -82.41659 292.08755
5060.0000 34 0 -82.43466 1.30102 1.68564 -82.60907 275.16180
5065.0000 34 0 -82.51510 1.03246 1.68724 -82.59224 276.80714
5070.0000 34 0 -81.67214 1.66204 1.72503 -82.19569 322.68946
5075.0000 34 0 -82.33735 1.16566 1.73613 -82.07917 326.48774
5080.0000 34 0 -82.45651 1.14582 1.71003 -82.35311 290.33505
5085.0000 34 0 -82.40067 1.32585 1.69497 -82.51111 281.19563
5090.0000 34 0 -82.63165 1.08410 1.70228 -82.43438 293.82382
5095.0000 34 0 -82.40463 1.29136 1.71018 -82.35154 302.03809
5100.0000 34 0 -82.40949 1.24027 1.71596 -82.29084 305.32372
5105.0000 34 0 -82.58535 1.31151 1.70183 -82.43911 290.57098
5110.0000 34 0 -82.06422 1.39290 1.72981 -82.14552 328.53036
5115.0000 34 0 -82.42846 1.24596 1.70603 -82.39508 293.54204
5120.0000 34 0 -82.39273 1.24130 1.71043 -82.34887 312.98352
5125.0000 34 0 -82.21629 1.35489 1.72127 -82.23516 328.57971
5130.0000 34 0 -82.13259 1.22073 1.72880 -82.15605 334.15270
5135.0000 34 0 -82.27798 1.07637 1.71890 -82.26002 314.70379
5140.0000 34 0 -82.24075 1.51838 1.71541 -82.29663 323.97564
5145.0000 34 0 -82.27426 1.41562 1.72141 -82.23366 338.22124
5150.0000 34 0 -82.17913 1.48886 1.71929 -82.25594 322.06709
5155.0000 34 0 -82.20639 1.46245 1.70943 -82.35940 302.69611
5160.0000 34 0 -82.34062 1.07800 1.70930 -82.36070 301.79181
5165.0000 34 0 -82.24483 1.39323 1.71461 -82.30500 326.28695
5170.0000 34 0 -82.67029 1.23048 1.68580 -82.60734 291.52522
5175.0000 34 0 -83.12996 1.04323 1.67057 -82.76724 275.91783
5180.0000 34 0 -82.71825 1.23560 1.65451 -82.93577 261.29880
5185.0000 34 0 -82.40204 1.51118 1.69785 -82.48093 315.45765
5190.0000 34 0 -82.36299 1.47751 1.71086 -82.34437 323.71717
5195.0000 34 0 -82.00175 1.54999 1.73429 -82.09849 347.18068
5200.0000 34 0 -81.93702 1.91748 1.73565 -82.08424 346.58169
5205.0000 34 0 -82.01189 1.48958 1.76616 -81.76405 382.72882
5210.0000 34 0 -82.37560 1.46097 1.72515 -82.19444 340.11024
5215.0000 34 0 -82.71559 1.21255 1.69338 -82.52782 300.90987
5220.0000 34 0 -82.72633 1.24890 1.68662 -82.59876 294.21209
5225.0000 34 0 -82.68552 1.17234 1.66633 -82.81174 270.16918
5230.0000 34 0 -82.38799 1.41772 1.70929 -82.36084 317.68881
5235.0000 34 0 -82.38561 1.49061 1.68934 -82.57024 305.39359
5240.0000 34 0 -82.10621 1.41346 1.72602 -82.18524 337.85218
5245.0000 34 0 -82.26818 1.55771 1.72981 -82.14545 348.79091
5250.0000 34 0 -82.45737 1.31994 1.70450 -82.41114 313.78904
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71881 -1.01192 -0.57745
force_rgl> df(natom) 0.00000 0.00000 0.00000
5255.0000 35 0 -82.50134 2.96869 1.95918 -82.28707 355.16762
5260.0000 35 0 -83.68837 2.02081 1.89409 -82.98348 517.08523
5265.0000 35 0 -84.22988 1.56952 1.79831 -84.00830 412.61157
5270.0000 35 0 -85.00876 1.30149 1.72497 -84.79302 337.49058
5275.0000 35 0 -85.32547 1.25659 1.70747 -84.98028 318.15655
5280.0000 35 0 -85.04319 1.20371 1.69332 -85.13168 300.96370
5285.0000 35 0 -85.09984 1.31121 1.71476 -84.90232 318.70198
5290.0000 35 0 -85.43263 1.03964 1.69073 -85.15945 287.00530
5295.0000 35 0 -85.16563 1.43168 1.70792 -84.97545 315.73533
5300.0000 35 0 -85.23776 1.24436 1.69210 -85.14469 310.30255
5305.0000 35 0 -85.40252 1.29307 1.67333 -85.34559 282.77122
5310.0000 35 0 -85.45240 1.38036 1.67367 -85.34196 289.88219
5315.0000 35 0 -85.50211 1.10557 1.65463 -85.54571 267.91143
5320.0000 35 0 -85.58256 1.22004 1.67037 -85.37725 282.05790
5325.0000 35 0 -85.63889 1.11392 1.66396 -85.44586 274.78328
5330.0000 35 0 -85.53818 0.97876 1.66122 -85.47518 274.80511
5335.0000 35 0 -85.82674 1.06399 1.64314 -85.66859 250.39085
5340.0000 35 0 -85.05398 1.32653 1.66037 -85.48428 274.44193
5345.0000 35 0 -85.29299 1.20852 1.68454 -85.22561 305.32865
5350.0000 35 0 -84.92271 1.28138 1.69070 -85.15976 310.70664
5355.0000 35 0 -84.49664 1.69583 1.72887 -84.75126 348.22304
5360.0000 35 0 -84.69756 1.45031 1.75093 -84.51526 376.62407
5365.0000 35 0 -84.81979 1.33364 1.71957 -84.85080 334.22275
5370.0000 35 0 -84.67075 1.60726 1.73003 -84.73895 344.79430
5375.0000 35 0 -85.06851 1.74536 1.72694 -84.77197 351.05996
5380.0000 35 0 -84.91316 1.45190 1.69566 -85.10668 303.78503
5385.0000 35 0 -85.02753 1.41816 1.69990 -85.06129 317.56973
5390.0000 35 0 -84.99853 1.12333 1.69395 -85.12491 311.64296
5395.0000 35 0 -85.16698 1.31335 1.70975 -84.95593 329.30567
5400.0000 35 0 -85.03519 1.37395 1.69608 -85.10213 315.14641
5405.0000 35 0 -85.28643 1.25969 1.69369 -85.12775 314.56145
5410.0000 35 0 -84.96693 1.71646 1.69427 -85.12155 304.97427
5415.0000 35 0 -84.73225 1.44518 1.70689 -84.98652 329.69390
5420.0000 35 0 -84.81472 1.28466 1.72487 -84.79411 346.27987
5425.0000 35 0 -85.37410 1.22122 1.69576 -85.10563 320.27264
5430.0000 35 0 -85.64591 1.12575 1.65113 -85.58309 265.12431
5435.0000 35 0 -85.46236 1.35919 1.67695 -85.30688 278.81861
5440.0000 35 0 -85.24739 1.31895 1.70044 -85.05555 309.06237
5445.0000 35 0 -85.62745 0.92300 1.65312 -85.56184 251.17457
5450.0000 35 0 -85.19522 1.41536 1.65419 -85.55034 266.51926
5455.0000 35 0 -84.91616 1.61944 1.69569 -85.10632 319.11689
5460.0000 35 0 -84.58108 1.86387 1.71941 -84.85251 346.59154
5465.0000 35 0 -84.81340 1.46249 1.70798 -84.97479 326.28014
5470.0000 35 0 -84.97551 1.47082 1.71428 -84.90741 332.94840
5475.0000 35 0 -84.96433 1.33492 1.70503 -85.00638 320.68329
5480.0000 35 0 -84.53839 1.39135 1.72813 -84.75926 338.15963
5485.0000 35 0 -84.70706 1.61428 1.73191 -84.71878 346.40389
5490.0000 35 0 -85.26869 1.42427 1.70142 -85.04505 310.37012
5495.0000 35 0 -85.21271 1.48543 1.68328 -85.23915 287.35748
5500.0000 35 0 -84.64553 1.71839 1.71540 -84.89540 328.56991
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16987 -0.14109 1.46650
force_rgl> df(natom) 0.00000 0.00000 0.00000
5505.0000 36 0 -84.89648 2.30077 1.96529 -84.77300 332.04518
5510.0000 36 0 -87.15451 1.46181 1.83221 -86.22390 415.09775
5515.0000 36 0 -87.26162 1.68051 1.73544 -87.27901 352.26122
5520.0000 36 0 -87.42239 1.44495 1.71887 -87.45963 328.07035
5525.0000 36 0 -87.18089 1.30689 1.73836 -87.24715 338.14303
5530.0000 36 0 -87.60360 1.44085 1.74817 -87.14018 364.68666
5535.0000 36 0 -87.99522 1.44461 1.67734 -87.91238 279.36701
5540.0000 36 0 -87.66001 1.65625 1.69047 -87.76924 288.80205
5545.0000 36 0 -87.93574 1.46735 1.68687 -87.80854 288.76719
5550.0000 36 0 -87.45872 1.48848 1.72120 -87.43419 329.65421
5555.0000 36 0 -87.36975 1.26209 1.71227 -87.53156 317.95373
5560.0000 36 0 -87.46899 1.60985 1.69917 -87.67436 309.38817
5565.0000 36 0 -87.90619 1.15460 1.71307 -87.52292 317.78375
5570.0000 36 0 -87.98473 1.13064 1.68361 -87.84401 275.43004
5575.0000 36 0 -87.64448 1.74913 1.71675 -87.48275 315.03524
5580.0000 36 0 -87.17795 1.60576 1.71879 -87.46049 314.85640
5585.0000 36 0 -87.55905 1.30637 1.70763 -87.58224 306.42805
5590.0000 36 0 -87.80513 1.24792 1.69898 -87.67644 296.98240
5595.0000 36 0 -87.85224 1.23442 1.67610 -87.92594 266.64944
5600.0000 36 0 -87.42961 1.52000 1.69301 -87.74158 281.63547
5605.0000 36 0 -87.74009 1.22018 1.71755 -87.47399 314.65915
5610.0000 36 0 -87.64182 1.42313 1.70509 -87.60991 301.61526
5615.0000 36 0 -87.49410 1.44633 1.71311 -87.52247 308.79426
5620.0000 36 0 -87.82266 1.41103 1.70227 -87.64063 313.04975
5625.0000 36 0 -87.86534 1.31564 1.68640 -87.81366 294.60037
5630.0000 36 0 -88.14324 1.06204 1.66289 -88.06999 267.13771
5635.0000 36 0 -87.59223 1.39553 1.67269 -87.96315 285.96868
5640.0000 36 0 -87.92888 1.05471 1.68625 -87.81528 294.83489
5645.0000 36 0 -87.91148 1.27895 1.69336 -87.73778 301.14319
5650.0000 36 0 -87.84496 1.39289 1.68966 -87.77806 296.74992
5655.0000 36 0 -88.01863 1.22134 1.69195 -87.75314 300.43678
5660.0000 36 0 -87.95508 1.14751 1.65364 -88.17077 256.29645
5665.0000 36 0 -87.58169 1.25423 1.70785 -87.57982 318.22016
5670.0000 36 0 -87.90137 1.37363 1.69201 -87.75251 302.22340
5675.0000 36 0 -87.83042 1.15281 1.69070 -87.76677 303.83200
5680.0000 36 0 -87.01629 1.70324 1.72069 -87.43978 332.91022
5685.0000 36 0 -88.08906 1.20631 1.70481 -87.61294 311.60627
5690.0000 36 0 -88.07094 1.24496 1.66538 -88.04277 264.74745
5695.0000 36 0 -87.47840 1.47597 1.67973 -87.88634 283.90313
5700.0000 36 0 -87.02203 1.83616 1.73295 -87.30615 336.80864
5705.0000 36 0 -87.34007 1.41208 1.72299 -87.41472 328.84789
5710.0000 36 0 -87.72848 1.28859 1.70228 -87.64050 305.24128
5715.0000 36 0 -87.67959 1.33327 1.71063 -87.54943 313.34472
5720.0000 36 0 -87.63494 1.42089 1.70243 -87.63888 298.72335
5725.0000 36 0 -87.32686 1.53723 1.72902 -87.34896 325.73748
5730.0000 36 0 -87.83595 1.17076 1.70980 -87.55849 314.30702
5735.0000 36 0 -87.35208 1.51608 1.70379 -87.62400 309.51365
5740.0000 36 0 -87.81431 1.43904 1.70330 -87.62934 306.78251
5745.0000 36 0 -87.71031 1.12895 1.68349 -87.84539 287.27034
5750.0000 36 0 -87.35635 1.70069 1.70980 -87.55857 320.87292
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79463 1.06438 2.25289
force_rgl> df(natom) 0.00000 0.00000 0.00000
5755.0000 37 0 -87.15436 2.74579 1.98193 -87.14328 366.23236
5760.0000 37 0 -88.37245 2.09154 1.92301 -87.79748 517.52229
5765.0000 37 0 -88.94542 1.83902 1.81762 -88.96772 402.55706
5770.0000 37 0 -90.08091 1.60895 1.77343 -89.45841 384.60206
5775.0000 37 0 -89.97445 1.75899 1.72116 -90.03877 325.14223
5780.0000 37 0 -89.78724 1.83062 1.74482 -89.77600 363.53318
5785.0000 37 0 -89.77386 1.65701 1.73361 -89.90051 345.75318
5790.0000 37 0 -90.09920 1.32976 1.72345 -90.01330 329.66242
5795.0000 37 0 -90.34757 1.44048 1.72236 -90.02547 331.44922
5800.0000 37 0 -89.71307 1.66727 1.71382 -90.12021 320.09347
5805.0000 37 0 -90.09373 1.56141 1.72551 -89.99050 336.20047
5810.0000 37 0 -90.56265 0.99204 1.70123 -90.26000 303.55257
5815.0000 37 0 -90.53235 1.33384 1.68032 -90.49219 276.80210
5820.0000 37 0 -90.33175 1.42050 1.69309 -90.35040 293.79664
5825.0000 37 0 -90.52296 1.15502 1.69725 -90.30421 292.55756
5830.0000 37 0 -90.21507 1.53019 1.66810 -90.62786 269.47497
5835.0000 37 0 -90.34597 1.45734 1.68265 -90.46632 292.23632
5840.0000 37 0 -90.01232 1.62658 1.70754 -90.19000 313.05073
5845.0000 37 0 -90.17382 1.69250 1.71877 -90.06524 319.74056
5850.0000 37 0 -90.53009 1.34265 1.69089 -90.37483 296.77467
5855.0000 37 0 -90.70923 1.19379 1.66832 -90.62552 278.56799
5860.0000 37 0 -90.45946 1.26015 1.68648 -90.42386 293.85282
5865.0000 37 0 -90.23659 1.44853 1.68878 -90.39828 288.88525
5870.0000 37 0 -90.54797 1.27744 1.69819 -90.29384 311.44609
5875.0000 37 0 -89.91084 1.63385 1.69982 -90.27575 317.58357
5880.0000 37 0 -89.99871 1.69281 1.72703 -89.97353 338.65411
5885.0000 37 0 -89.93166 1.73309 1.72352 -90.01260 344.65459
5890.0000 37 0 -89.96299 1.86255 1.73359 -89.90077 339.38612
5895.0000 37 0 -89.75485 1.86462 1.76848 -89.51334 374.14062
5900.0000 37 0 -89.68227 1.50882 1.75371 -89.67737 360.73566
5905.0000 37 0 -90.19284 1.39899 1.71358 -90.12293 309.32949
5910.0000 37 0 -90.49933 1.23731 1.68244 -90.46872 291.60573
5915.0000 37 0 -89.81902 1.50812 1.70119 -90.26053 305.77440
5920.0000 37 0 -90.19788 1.61936 1.72503 -89.99578 337.26312
5925.0000 37 0 -90.05603 1.66891 1.71263 -90.13348 325.89619
5930.0000 37 0 -90.09424 1.45884 1.72533 -89.99248 331.23994
5935.0000 37 0 -90.52504 1.38793 1.70489 -90.21944 295.49483
5940.0000 37 0 -90.11382 1.17449 1.70149 -90.25716 283.38550
5945.0000 37 0 -89.94660 1.42888 1.71351 -90.12372 313.43810
5950.0000 37 0 -89.79807 1.63826 1.74346 -89.79109 344.84000
5955.0000 37 0 -89.80274 1.65040 1.71487 -90.10854 314.68248
5960.0000 37 0 -90.18293 1.43663 1.71020 -90.16043 307.67690
5965.0000 37 0 -90.24590 1.38857 1.71545 -90.10213 306.06931
5970.0000 37 0 -90.10404 1.67305 1.70683 -90.19782 303.27487
5975.0000 37 0 -90.36550 1.43179 1.70480 -90.22045 301.83202
5980.0000 37 0 -90.41653 1.33004 1.69436 -90.33636 290.42650
5985.0000 37 0 -90.15902 1.45233 1.68140 -90.48021 277.84223
5990.0000 37 0 -90.38296 1.47267 1.69608 -90.31720 289.49534
5995.0000 37 0 -90.21964 1.49859 1.69013 -90.38330 284.63503
6000.0000 37 0 -90.21726 1.27726 1.72193 -90.03020 315.01963
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.27443 1.20587 3.45488
force_rgl> df(natom) 0.00000 0.00000 0.00000
6005.0000 38 0 -90.27324 1.41171 1.93145 -90.26906 295.66407
6010.0000 38 0 -91.91428 2.10544 1.87517 -90.90514 438.77732
6015.0000 38 0 -92.57786 1.29842 1.75138 -92.30432 334.69308
6020.0000 38 0 -91.89956 2.20949 1.76403 -92.16139 355.61627
6025.0000 38 0 -92.37517 1.66061 1.76935 -92.10123 359.11761
6030.0000 38 0 -92.39509 1.67590 1.73715 -92.46520 321.03769
6035.0000 38 0 -93.00283 1.53311 1.72968 -92.54963 307.92996
6040.0000 38 0 -92.69373 1.58210 1.70715 -92.80426 309.45402
6045.0000 38 0 -92.52393 1.34238 1.70360 -92.84437 309.80048
6050.0000 38 0 -92.52521 1.63928 1.74332 -92.39552 357.58675
6055.0000 38 0 -92.57578 1.27232 1.73579 -92.48057 342.59815
6060.0000 38 0 -92.57771 1.76478 1.72066 -92.65164 328.86770
6065.0000 38 0 -92.88284 1.67535 1.72642 -92.58644 336.96622
6070.0000 38 0 -92.85127 1.75885 1.72300 -92.62519 333.11103
6075.0000 38 0 -92.77800 1.48731 1.69898 -92.89665 297.40006
6080.0000 38 0 -92.98666 1.55036 1.70722 -92.80349 314.03912
6085.0000 38 0 -93.26388 0.99633 1.68007 -93.11043 283.59415
6090.0000 38 0 -93.08376 1.29078 1.68218 -93.08655 289.98162
6095.0000 38 0 -93.08172 1.45631 1.68846 -93.01557 295.75371
6100.0000 38 0 -92.78604 1.42503 1.69033 -92.99439 291.84567
6105.0000 38 0 -92.65539 1.64092 1.70081 -92.87600 310.90943
6110.0000 38 0 -92.91661 1.51320 1.69560 -92.93489 307.08513
6115.0000 38 0 -92.65380 1.61641 1.69630 -92.92693 296.55555
6120.0000 38 0 -93.00477 1.71561 1.68168 -93.09222 287.98187
6125.0000 38 0 -92.85880 1.72719 1.68501 -93.05457 292.46781
6130.0000 38 0 -92.77464 1.27394 1.70654 -92.81121 315.56651
6135.0000 38 0 -93.42581 1.20094 1.70531 -92.82507 309.99834
6140.0000 38 0 -93.00698 1.52031 1.68897 -93.00983 291.08870
6145.0000 38 0 -93.23277 1.32353 1.68532 -93.05100 288.34025
6150.0000 38 0 -93.18319 1.61430 1.67413 -93.17747 273.63790
6155.0000 38 0 -93.31350 1.08830 1.68109 -93.09884 287.66411
6160.0000 38 0 -92.71521 1.50985 1.69001 -92.99807 292.98927
6165.0000 38 0 -92.71608 1.46406 1.73095 -92.53524 340.99468
6170.0000 38 0 -92.77909 1.46236 1.71260 -92.74272 314.15000
6175.0000 38 0 -92.92343 1.44287 1.72536 -92.59848 318.74613
6180.0000 38 0 -93.18099 1.38603 1.69521 -92.93930 298.98313
6185.0000 38 0 -92.27506 1.76158 1.70816 -92.79290 316.11013
6190.0000 38 0 -93.03713 1.36745 1.71406 -92.72615 333.42385
6195.0000 38 0 -92.77495 1.48198 1.71017 -92.77011 321.11157
6200.0000 38 0 -93.08320 1.48658 1.70160 -92.86702 312.44393
6205.0000 38 0 -93.04959 1.47431 1.67704 -93.14462 282.56780
6210.0000 38 0 -92.77890 1.39868 1.69431 -92.94940 299.66780
6215.0000 38 0 -92.70651 1.53416 1.70266 -92.85508 304.98460
6220.0000 38 0 -93.07347 1.28254 1.70572 -92.82050 306.83611
6225.0000 38 0 -93.15921 1.48359 1.67487 -93.16920 287.84718
6230.0000 38 0 -92.75683 1.39036 1.69919 -92.89426 296.55758
6235.0000 38 0 -92.88389 1.49948 1.70984 -92.77387 321.20396
6240.0000 38 0 -93.26613 1.10897 1.69121 -92.98445 294.27436
6245.0000 38 0 -92.88085 1.65336 1.68290 -93.07837 285.96912
6250.0000 38 0 -92.76037 1.61575 1.69309 -92.96322 300.94073
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50146 -1.50652 0.85292
force_rgl> df(natom) 0.00000 0.00000 0.00000
6255.0000 39 0 -92.39974 2.49950 1.94865 -92.63996 341.45327
6260.0000 39 0 -93.75508 2.11129 1.89752 -93.22789 457.92065
6265.0000 39 0 -94.64934 1.69468 1.82056 -94.11293 404.06514
6270.0000 39 0 -95.33746 1.28025 1.73562 -95.08984 319.33871
6275.0000 39 0 -95.49599 1.68015 1.70535 -95.43799 287.97761
6280.0000 39 0 -95.26932 1.36821 1.72154 -95.25178 322.22016
6285.0000 39 0 -94.92122 1.42650 1.73436 -95.10427 323.44592
6290.0000 39 0 -95.18857 1.70936 1.75329 -94.88656 342.65204
6295.0000 39 0 -95.31650 1.62087 1.74262 -95.00934 356.23351
6300.0000 39 0 -95.76420 1.38241 1.71084 -95.37484 327.38039
6305.0000 39 0 -95.86182 1.50652 1.68345 -95.68981 299.35271
6310.0000 39 0 -95.54640 1.83462 1.65744 -95.98889 269.10594
6315.0000 39 0 -95.38477 1.77179 1.69912 -95.50954 311.16285
6320.0000 39 0 -95.90157 1.34678 1.67806 -95.75178 291.69800
6325.0000 39 0 -95.27022 1.67302 1.69736 -95.52986 315.27661
6330.0000 39 0 -95.89215 1.33280 1.69094 -95.60368 306.05777
6335.0000 39 0 -95.62639 1.58880 1.68592 -95.66139 317.40721
6340.0000 39 0 -94.70383 1.76114 1.69879 -95.51341 314.71718
6345.0000 39 0 -95.16371 1.67376 1.74127 -95.02484 359.23336
6350.0000 39 0 -95.59872 1.41857 1.69583 -95.54741 311.65242
6355.0000 39 0 -95.14150 1.70825 1.69020 -95.61221 308.70383
6360.0000 39 0 -95.65037 1.54231 1.68938 -95.62157 307.92993
6365.0000 39 0 -95.85468 1.46951 1.69527 -95.55388 313.38598
6370.0000 39 0 -95.82356 1.45687 1.67879 -95.74340 301.39577
6375.0000 39 0 -94.80990 2.04022 1.70349 -95.45933 317.74863
6380.0000 39 0 -95.01949 1.67664 1.74020 -95.03715 360.14457
6385.0000 39 0 -95.85470 1.38936 1.70072 -95.49117 317.58999
6390.0000 39 0 -95.50562 1.34641 1.68265 -95.69903 291.41715
6395.0000 39 0 -95.94746 1.19876 1.68223 -95.70384 295.58080
6400.0000 39 0 -95.82314 1.20318 1.67876 -95.74369 287.70527
6405.0000 39 0 -95.32134 1.61249 1.69896 -95.51144 309.72973
6410.0000 39 0 -95.19860 1.56552 1.72944 -95.16092 349.35186
6415.0000 39 0 -95.36361 1.72143 1.72823 -95.17478 343.42340
6420.0000 39 0 -95.33401 1.47277 1.70921 -95.39350 326.93772
6425.0000 39 0 -96.07688 1.19551 1.67907 -95.74022 299.83550
6430.0000 39 0 -96.12790 1.22281 1.65412 -96.02715 266.30456
6435.0000 39 0 -96.16311 1.14809 1.64818 -96.09536 257.09690
6440.0000 39 0 -95.92685 1.29499 1.65013 -96.07298 250.50922
6445.0000 39 0 -95.55002 1.49838 1.69527 -95.55381 310.48942
6450.0000 39 0 -95.54991 1.33464 1.68881 -95.62818 299.17140
6455.0000 39 0 -95.08684 1.72811 1.68928 -95.62273 299.45651
6460.0000 39 0 -95.48443 1.63054 1.70913 -95.39441 319.46078
6465.0000 39 0 -95.61956 1.53672 1.68082 -95.72000 294.57390
6470.0000 39 0 -95.83995 1.28681 1.68606 -95.65974 305.52769
6475.0000 39 0 -95.81601 1.37358 1.66040 -95.95483 277.47469
6480.0000 39 0 -95.16692 1.79379 1.69034 -95.61054 306.26647
6485.0000 39 0 -95.62147 1.38624 1.71460 -95.33155 335.86287
6490.0000 39 0 -95.70878 1.78979 1.68608 -95.65955 303.53646
6495.0000 39 0 -95.62278 1.49473 1.68048 -95.72395 293.80591
6500.0000 39 0 -95.16835 1.66618 1.71641 -95.31076 343.15526
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16936 3.10607 -0.60631
force_rgl> df(natom) 0.00000 0.00000 0.00000
6505.0000 40 0 -95.06041 2.50869 1.94088 -95.29934 347.96169
6510.0000 40 0 -96.31630 2.62374 1.87810 -96.03360 458.80546
6515.0000 40 0 -97.33336 1.92227 1.78173 -97.16072 407.24344
6520.0000 40 0 -97.79833 1.87947 1.74602 -97.57844 372.09279
6525.0000 40 0 -98.08670 1.63085 1.69911 -98.12706 318.47895
6530.0000 40 0 -97.86612 1.72796 1.69887 -98.12990 313.49828
6535.0000 40 0 -98.25451 1.59917 1.68995 -98.23421 310.86218
6540.0000 40 0 -98.17354 1.55994 1.67669 -98.38935 294.38792
6545.0000 40 0 -98.48002 1.57299 1.68568 -98.28420 306.46000
6550.0000 40 0 -98.52772 1.47392 1.65775 -98.61089 275.21105
6555.0000 40 0 -97.72678 1.93129 1.71595 -97.93013 336.24897
6560.0000 40 0 -97.99598 2.05172 1.71815 -97.90438 335.81539
6565.0000 40 0 -98.49961 1.53132 1.71020 -97.99742 329.20057
6570.0000 40 0 -98.28172 1.69160 1.67714 -98.38411 294.55932
6575.0000 40 0 -97.94881 1.64584 1.68627 -98.27728 304.46399
6580.0000 40 0 -98.29785 1.45364 1.71125 -97.98511 331.68819
6585.0000 40 0 -98.75102 1.14903 1.66889 -98.48058 287.56515
6590.0000 40 0 -98.41942 1.53547 1.65076 -98.69263 265.61866
6595.0000 40 0 -98.82328 1.47673 1.65788 -98.60933 271.99892
6600.0000 40 0 -98.31444 1.44561 1.67284 -98.43429 287.03832
6605.0000 40 0 -98.27621 1.54291 1.67970 -98.35413 298.82072
6610.0000 40 0 -98.35651 1.76792 1.68402 -98.30359 302.21500
6615.0000 40 0 -98.46316 1.44083 1.67223 -98.44145 289.67270
6620.0000 40 0 -98.24481 1.90284 1.68008 -98.34968 295.21331
6625.0000 40 0 -98.26955 1.79914 1.68058 -98.34383 295.01114
6630.0000 40 0 -98.01588 1.64502 1.68903 -98.24493 307.50576
6635.0000 40 0 -98.04435 1.80653 1.71523 -97.93860 343.86453
6640.0000 40 0 -98.29232 1.37949 1.69417 -98.18482 323.41232
6645.0000 40 0 -98.08467 1.64620 1.70866 -98.01540 329.04698
6650.0000 40 0 -98.13726 1.62849 1.71426 -97.94986 336.56871
6655.0000 40 0 -97.83021 1.77630 1.70137 -98.10061 324.89165
6660.0000 40 0 -98.58018 1.33887 1.69609 -98.16239 314.04966
6665.0000 40 0 -98.20203 1.78792 1.66387 -98.53924 290.89550
6670.0000 40 0 -98.25904 1.72660 1.69410 -98.18567 317.63523
6675.0000 40 0 -98.68626 1.32874 1.68295 -98.31610 304.90120
6680.0000 40 0 -98.37996 1.28787 1.65743 -98.61455 275.77440
6685.0000 40 0 -98.56242 1.55005 1.67772 -98.37727 294.67977
6690.0000 40 0 -98.55230 1.24968 1.65455 -98.64825 272.03591
6695.0000 40 0 -98.50888 1.66090 1.66529 -98.52267 278.58324
6700.0000 40 0 -98.45809 1.36860 1.67477 -98.41175 295.17835
6705.0000 40 0 -98.66341 1.56385 1.66930 -98.47572 286.54011
6710.0000 40 0 -98.20986 1.34997 1.66813 -98.48943 285.91132
6715.0000 40 0 -98.20822 1.55929 1.70493 -98.05899 325.66684
6720.0000 40 0 -98.29617 1.47511 1.69375 -98.18980 315.27754
6725.0000 40 0 -97.88312 1.73473 1.71015 -97.99801 333.87564
6730.0000 40 0 -98.19563 1.61456 1.70705 -98.03417 331.88164
6735.0000 40 0 -98.53374 1.23531 1.69030 -98.23017 306.73128
6740.0000 40 0 -98.04688 1.67731 1.69257 -98.20357 314.05092
6745.0000 40 0 -98.43837 1.34370 1.68555 -98.28567 301.25497
6750.0000 40 0 -98.63507 1.59888 1.66809 -98.48989 290.20054
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56380 -1.42479 -2.12280
force_rgl> df(natom) 0.00000 0.00000 0.00000
6755.0000 41 0 -97.87254 2.62712 1.90942 -98.24657 309.49520
6760.0000 41 0 -99.09519 2.46060 1.89255 -98.44717 488.96635
6765.0000 41 0 -99.28089 2.44388 1.80645 -99.47099 398.28681
6770.0000 41 0 -100.11434 1.65913 1.79504 -99.60665 386.70089
6775.0000 41 0 -100.40882 1.57065 1.74162 -100.24176 342.53382
6780.0000 41 0 -99.98929 1.75447 1.74104 -100.24864 345.08888
6785.0000 41 0 -100.42256 1.48298 1.73271 -100.34770 320.47647
6790.0000 41 0 -100.50921 1.66028 1.73452 -100.32626 330.83260
6795.0000 41 0 -101.24739 1.40848 1.68556 -100.90832 278.78634
6800.0000 41 0 -101.00071 1.56990 1.68168 -100.95453 283.22528
6805.0000 41 0 -100.88401 1.34638 1.68204 -100.95023 283.88739
6810.0000 41 0 -101.17225 1.30724 1.68548 -100.90927 289.93689
6815.0000 41 0 -100.86336 1.48200 1.68186 -100.95238 282.01521
6820.0000 41 0 -100.73141 1.52617 1.70257 -100.70615 301.96616
6825.0000 41 0 -100.64320 1.60718 1.70603 -100.66496 309.73342
6830.0000 41 0 -100.20905 1.79896 1.72345 -100.45783 327.13711
6835.0000 41 0 -100.78892 1.42354 1.71953 -100.50445 311.13153
6840.0000 41 0 -100.50153 1.55650 1.71588 -100.54784 311.58820
6845.0000 41 0 -100.63123 1.84110 1.71545 -100.55299 309.26804
6850.0000 41 0 -100.64485 1.48491 1.70784 -100.64341 307.40441
6855.0000 41 0 -100.61705 1.69621 1.71420 -100.56785 319.20256
6860.0000 41 0 -100.75100 1.47952 1.69675 -100.77529 295.12929
6865.0000 41 0 -100.53966 1.65379 1.68935 -100.86329 291.83421
6870.0000 41 0 -100.89347 1.64837 1.71401 -100.57007 325.90319
6875.0000 41 0 -100.60151 1.38642 1.70614 -100.66367 302.00860
6880.0000 41 0 -100.59358 1.64463 1.71113 -100.60433 309.91504
6885.0000 41 0 -100.89798 1.22990 1.69987 -100.73825 306.26736
6890.0000 41 0 -100.48507 1.79604 1.73187 -100.35771 343.85264
6895.0000 41 0 -100.26669 1.75283 1.71886 -100.51244 324.63143
6900.0000 41 0 -101.06287 1.41121 1.70102 -100.72449 307.35503
6905.0000 41 0 -101.04423 1.46486 1.66562 -101.14547 266.41774
6910.0000 41 0 -100.63241 1.59172 1.68242 -100.94569 278.39037
6915.0000 41 0 -100.77164 1.56954 1.68507 -100.91413 286.75475
6920.0000 41 0 -100.93758 1.40850 1.69825 -100.75746 300.02026
6925.0000 41 0 -100.71770 1.60995 1.67727 -101.00687 267.40117
6930.0000 41 0 -100.59774 1.59387 1.70060 -100.72954 287.14105
6935.0000 41 0 -100.29445 1.77176 1.71460 -100.56307 307.18102
6940.0000 41 0 -100.34466 1.61534 1.73060 -100.37283 334.91890
6945.0000 41 0 -100.76302 1.68057 1.71581 -100.54864 319.74642
6950.0000 41 0 -100.96495 1.76181 1.69600 -100.78427 301.04784
6955.0000 41 0 -100.73546 1.61131 1.69564 -100.78852 298.37435
6960.0000 41 0 -100.33060 1.77491 1.70460 -100.68201 307.68698
6965.0000 41 0 -100.25160 1.88789 1.73474 -100.32360 336.78970
6970.0000 41 0 -100.36151 1.74082 1.74764 -100.17026 355.18078
6975.0000 41 0 -100.32653 1.46681 1.74047 -100.25550 340.09810
6980.0000 41 0 -100.51830 1.53032 1.74437 -100.20908 352.09885
6985.0000 41 0 -100.67797 1.67260 1.70580 -100.66772 308.96837
6990.0000 41 0 -100.28546 1.76156 1.70228 -100.70956 303.82156
6995.0000 41 0 -100.66281 1.53544 1.71061 -100.61048 314.87414
7000.0000 41 0 -101.04772 1.46575 1.69872 -100.75184 302.78732
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00296 -1.45945 1.43401
force_rgl> df(natom) 0.00000 0.00000 0.00000
7005.0000 42 0 -101.03609 2.15168 1.90193 -100.91946 297.22893
7010.0000 42 0 -102.53240 1.96464 1.82861 -101.80538 402.91959
7015.0000 42 0 -102.48073 1.70048 1.76142 -102.61722 338.10614
7020.0000 42 0 -102.90961 1.38658 1.74245 -102.84637 302.55970
7025.0000 42 0 -102.99644 1.55757 1.72467 -103.06124 285.99848
7030.0000 42 0 -102.49990 1.86762 1.74391 -102.82876 316.04707
7035.0000 42 0 -102.22131 2.00301 1.79486 -102.21310 380.65208
7040.0000 42 0 -103.17426 1.62229 1.77061 -102.50614 351.60172
7045.0000 42 0 -103.03565 1.69007 1.72644 -103.03980 303.15024
7050.0000 42 0 -102.86060 1.55009 1.73891 -102.88917 326.30290
7055.0000 42 0 -103.13640 1.68253 1.73111 -102.98342 320.14886
7060.0000 42 0 -103.01617 1.54136 1.72047 -103.11200 306.14317
7065.0000 42 0 -102.86695 1.64915 1.72664 -103.03737 314.12642
7070.0000 42 0 -102.74843 1.41520 1.74978 -102.75777 338.92860
7075.0000 42 0 -102.84108 1.69023 1.74441 -102.82270 332.43502
7080.0000 42 0 -102.74543 1.90677 1.76124 -102.61934 352.10842
7085.0000 42 0 -102.73187 2.07430 1.76226 -102.60708 359.57856
7090.0000 42 0 -103.38519 1.50093 1.71933 -103.12580 306.68542
7095.0000 42 0 -103.10513 1.96157 1.71958 -103.12269 314.33830
7100.0000 42 0 -103.66132 1.50510 1.70627 -103.28358 297.42248
7105.0000 42 0 -103.53388 1.81214 1.67655 -103.64267 266.44745
7110.0000 42 0 -103.17894 1.56580 1.69301 -103.44372 285.20937
7115.0000 42 0 -103.16184 1.73832 1.70923 -103.24779 293.80039
7120.0000 42 0 -102.89152 1.57712 1.71160 -103.21914 301.29375
7125.0000 42 0 -103.51875 1.37900 1.72147 -103.09991 311.15402
7130.0000 42 0 -103.67582 1.43675 1.69570 -103.41124 285.70178
7135.0000 42 0 -103.42474 1.50332 1.68023 -103.59818 271.79715
7140.0000 42 0 -103.34177 1.70601 1.70994 -103.23916 306.90122
7145.0000 42 0 -102.91021 1.59368 1.71482 -103.18020 292.92725
7150.0000 42 0 -102.78393 1.75710 1.74191 -102.85294 320.95188
7155.0000 42 0 -102.53926 1.84218 1.78644 -102.31490 373.62178
7160.0000 42 0 -102.69776 2.07968 1.75465 -102.69898 327.83050
7165.0000 42 0 -102.31134 1.67127 1.77384 -102.46717 349.38276
7170.0000 42 0 -102.46380 2.12996 1.76398 -102.58631 354.15860
7175.0000 42 0 -102.89180 1.79922 1.75897 -102.64677 341.85012
7180.0000 42 0 -103.28673 1.71076 1.72092 -103.10652 303.23177
7185.0000 42 0 -103.25820 1.64463 1.70075 -103.35029 284.32403
7190.0000 42 0 -103.05466 1.56116 1.71503 -103.17769 300.51085
7195.0000 42 0 -102.77972 1.73402 1.71186 -103.21603 297.99453
7200.0000 42 0 -103.02767 1.67414 1.73102 -102.98453 311.24817
7205.0000 42 0 -103.04922 1.71876 1.70267 -103.32700 289.15857
7210.0000 42 0 -103.11657 1.61818 1.74536 -102.81118 335.61532
7215.0000 42 0 -102.79821 1.75627 1.72188 -103.09492 308.60446
7220.0000 42 0 -103.09953 1.69691 1.75214 -102.72934 340.27323
7225.0000 42 0 -103.32053 1.47674 1.70784 -103.26454 292.42434
7230.0000 42 0 -102.83919 1.72583 1.72371 -103.07276 313.26233
7235.0000 42 0 -102.84152 1.62290 1.73046 -102.99126 330.02181
7240.0000 42 0 -103.37348 1.90059 1.72020 -103.11527 321.52987
7245.0000 42 0 -103.63267 1.27003 1.69086 -103.46978 292.70016
7250.0000 42 0 -103.64761 1.43348 1.69363 -103.43623 296.63116
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14002 -1.13702 0.61825
force_rgl> df(natom) 0.00000 0.00000 0.00000
7255.0000 43 0 -104.26872 2.11865 1.89993 -103.53059 314.11992
7260.0000 43 0 -105.05244 1.81786 1.80936 -104.64223 354.89103
7265.0000 43 0 -104.92018 1.74024 1.78744 -104.91134 344.93354
7270.0000 43 0 -105.77806 1.44425 1.74300 -105.45673 293.40739
7275.0000 43 0 -105.63244 1.59179 1.72705 -105.65256 277.12672
7280.0000 43 0 -106.08386 1.35033 1.70988 -105.86328 253.92654
7285.0000 43 0 -105.62600 1.84907 1.72297 -105.70264 279.37806
7290.0000 43 0 -105.36473 1.50639 1.73726 -105.52722 298.16552
7295.0000 43 0 -105.32328 1.98025 1.74447 -105.43877 311.77797
7300.0000 43 0 -104.78629 1.69809 1.77043 -105.12009 332.97291
7305.0000 43 0 -105.56253 1.77328 1.75948 -105.25451 339.87774
7310.0000 43 0 -105.31540 1.81284 1.75221 -105.34370 321.78689
7315.0000 43 0 -105.91709 1.66338 1.73069 -105.60786 296.33098
7320.0000 43 0 -105.74709 1.59334 1.70874 -105.87728 276.82952
7325.0000 43 0 -105.00578 1.93230 1.75807 -105.27185 322.54099
7330.0000 43 0 -105.36717 1.60454 1.76877 -105.14047 337.54488
7335.0000 43 0 -105.06170 1.94117 1.74857 -105.38843 328.82015
7340.0000 43 0 -105.31561 1.85909 1.76974 -105.12857 364.15336
7345.0000 43 0 -105.20797 1.61980 1.75717 -105.28290 344.59565
7350.0000 43 0 -104.82994 1.94934 1.79010 -104.87862 373.06978
7355.0000 43 0 -105.39906 1.74358 1.76125 -105.23274 348.88665
7360.0000 43 0 -106.00652 1.33764 1.70607 -105.91010 294.52220
7365.0000 43 0 -105.40759 1.62997 1.70628 -105.90751 296.72266
7370.0000 43 0 -105.87660 1.60498 1.72205 -105.71394 324.34089
7375.0000 43 0 -105.85403 1.43686 1.70549 -105.91721 308.97263
7380.0000 43 0 -105.77617 1.64096 1.71309 -105.82390 311.31153
7385.0000 43 0 -105.84316 1.72683 1.71237 -105.83267 314.54826
7390.0000 43 0 -106.04687 1.61991 1.71193 -105.83812 314.61123
7395.0000 43 0 -106.02001 1.56348 1.70609 -105.90980 314.05241
7400.0000 43 0 -105.95866 1.71487 1.70722 -105.89588 309.01779
7405.0000 43 0 -105.49675 1.78668 1.72727 -105.64984 329.91148
7410.0000 43 0 -106.02908 1.29165 1.70724 -105.89566 298.26269
7415.0000 43 0 -105.86463 1.43360 1.71718 -105.77367 308.18336
7420.0000 43 0 -105.70486 2.03636 1.72138 -105.72215 316.10890
7425.0000 43 0 -105.77601 1.50780 1.72506 -105.67692 317.60694
7430.0000 43 0 -105.93965 1.72433 1.70913 -105.87251 306.18980
7435.0000 43 0 -106.13411 1.38573 1.69260 -106.07542 280.22188
7440.0000 43 0 -105.93017 1.63814 1.70766 -105.89050 296.65472
7445.0000 43 0 -105.69782 1.45804 1.73656 -105.53578 328.68621
7450.0000 43 0 -105.30738 1.75333 1.72786 -105.64259 320.27154
7455.0000 43 0 -105.16476 2.12474 1.80138 -104.74025 401.39880
7460.0000 43 0 -105.45232 1.77649 1.75093 -105.35950 345.52800
7465.0000 43 0 -105.57172 1.73219 1.74925 -105.38009 348.91084
7470.0000 43 0 -105.37693 1.84457 1.74600 -105.41997 352.76794
7475.0000 43 0 -105.39578 1.58661 1.74085 -105.48320 337.46339
7480.0000 43 0 -105.50098 1.62407 1.74231 -105.46529 334.35747
7485.0000 43 0 -105.50073 1.83341 1.72534 -105.67353 319.30626
7490.0000 43 0 -105.89023 1.52950 1.74390 -105.44575 338.96069
7495.0000 43 0 -105.59050 1.67284 1.72425 -105.68695 316.86552
7500.0000 43 0 -105.68131 1.74003 1.74441 -105.43951 330.11505
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61296 0.15109 1.15856
force_rgl> df(natom) 0.00000 0.00000 0.00000
7505.0000 44 0 -105.85202 2.39328 1.92694 -105.78385 318.95903
7510.0000 44 0 -107.18647 2.34905 1.86052 -106.61165 418.54101
7515.0000 44 0 -106.90886 1.86267 1.83883 -106.88206 409.81930
7520.0000 44 0 -107.92314 2.07340 1.79482 -107.43047 367.51446
7525.0000 44 0 -107.89532 1.91374 1.76188 -107.84106 335.76426
7530.0000 44 0 -108.55164 1.57557 1.72203 -108.33778 294.45450
7535.0000 44 0 -108.70284 1.64322 1.71533 -108.42119 297.67807
7540.0000 44 0 -108.76008 1.57738 1.70371 -108.56607 298.40427
7545.0000 44 0 -108.66624 1.65766 1.68402 -108.81143 276.04900
7550.0000 44 0 -108.69480 1.67706 1.68944 -108.74388 282.88882
7555.0000 44 0 -108.55117 1.78606 1.70288 -108.57642 294.74029
7560.0000 44 0 -108.28841 1.78266 1.71402 -108.43760 305.47176
7565.0000 44 0 -108.40198 1.76381 1.72691 -108.27684 324.65486
7570.0000 44 0 -108.26265 2.07251 1.73217 -108.21139 327.35216
7575.0000 44 0 -107.88977 2.23374 1.73603 -108.16322 334.53749
7580.0000 44 0 -108.45341 1.63685 1.73254 -108.20672 327.03696
7585.0000 44 0 -108.36538 1.97527 1.70990 -108.48893 305.30129
7590.0000 44 0 -108.87173 1.64108 1.70671 -108.52860 297.95480
7595.0000 44 0 -108.90807 1.55970 1.68525 -108.79612 271.70911
7600.0000 44 0 -108.39455 1.91080 1.71206 -108.46193 303.81241
7605.0000 44 0 -108.43337 1.63623 1.71472 -108.42879 303.77842
7610.0000 44 0 -108.37823 1.94047 1.70610 -108.53631 304.03465
7615.0000 44 0 -108.49462 1.58568 1.72660 -108.28080 321.21364
7620.0000 44 0 -108.49481 1.97507 1.69349 -108.69344 288.44190
7625.0000 44 0 -108.84413 1.41974 1.69321 -108.69686 289.48398
7630.0000 44 0 -108.59134 1.78082 1.68538 -108.79449 279.99146
7635.0000 44 0 -108.54400 1.65917 1.68898 -108.74967 277.96855
7640.0000 44 0 -108.80619 1.68002 1.69572 -108.66564 287.03710
7645.0000 44 0 -108.66710 1.59562 1.69013 -108.73535 283.77119
7650.0000 44 0 -108.00337 2.00313 1.72839 -108.25840 318.82820
7655.0000 44 0 -108.54077 1.62736 1.71515 -108.42350 308.45463
7660.0000 44 0 -108.59397 1.72445 1.70877 -108.50295 298.37226
7665.0000 44 0 -108.27101 2.08614 1.70193 -108.58823 292.07880
7670.0000 44 0 -108.47839 1.86105 1.72751 -108.26941 321.21921
7675.0000 44 0 -108.44478 1.81832 1.70376 -108.56549 300.53174
7680.0000 44 0 -108.40157 1.95100 1.70861 -108.50499 302.69090
7685.0000 44 0 -108.36739 1.75143 1.70333 -108.57074 297.14120
7690.0000 44 0 -108.85546 1.52579 1.70584 -108.53946 299.20084
7695.0000 44 0 -108.75683 1.65788 1.68704 -108.77377 279.74677
7700.0000 44 0 -108.29317 1.62077 1.72776 -108.26630 320.60861
7705.0000 44 0 -108.27561 1.68935 1.74932 -107.99762 347.99014
7710.0000 44 0 -108.36587 1.79990 1.72943 -108.24545 320.14497
7715.0000 44 0 -108.43235 1.80084 1.71347 -108.44435 305.75994
7720.0000 44 0 -108.58276 1.69737 1.69537 -108.67004 287.67278
7725.0000 44 0 -108.48788 1.73190 1.70086 -108.60157 293.81223
7730.0000 44 0 -108.43104 1.84455 1.73526 -108.17287 332.28135
7735.0000 44 0 -108.33752 1.74920 1.74025 -108.11064 342.03513
7740.0000 44 0 -108.10734 1.76104 1.72814 -108.26161 323.63483
7745.0000 44 0 -108.45447 1.63483 1.71889 -108.37681 312.60020
7750.0000 44 0 -108.23618 1.61426 1.70945 -108.49457 299.65588
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51570 2.74652 2.02256
force_rgl> df(natom) 0.00000 0.00000 0.00000
7755.0000 45 0 -108.32017 2.02926 1.93416 -108.28002 320.75511
7760.0000 45 0 -110.34429 1.77658 1.83079 -109.58781 379.50962
7765.0000 45 0 -110.40301 1.99442 1.78624 -110.15135 339.07913
7770.0000 45 0 -110.67789 1.64432 1.73361 -110.81729 296.61121
7775.0000 45 0 -110.67407 1.69923 1.75315 -110.57008 318.77636
7780.0000 45 0 -111.02787 1.07183 1.72435 -110.93435 284.58669
7785.0000 45 0 -110.66100 1.97456 1.74285 -110.70037 303.84074
7790.0000 45 0 -110.83830 1.59788 1.74689 -110.64924 310.43211
7795.0000 45 0 -110.70294 1.71751 1.74400 -110.68576 306.14762
7800.0000 45 0 -110.90051 1.57840 1.72862 -110.88043 280.40371
7805.0000 45 0 -110.50664 1.65891 1.74336 -110.69389 293.97164
7810.0000 45 0 -110.61205 1.76877 1.75466 -110.55096 304.60038
7815.0000 45 0 -110.96971 1.81781 1.73169 -110.84157 288.39769
7820.0000 45 0 -110.49804 1.56548 1.73748 -110.76832 289.72495
7825.0000 45 0 -110.35232 1.63146 1.76499 -110.42019 321.35305
7830.0000 45 0 -110.57378 1.60899 1.75636 -110.52948 308.87630
7835.0000 45 0 -110.24712 2.07360 1.77357 -110.31171 329.39824
7840.0000 45 0 -110.31369 1.82136 1.76233 -110.45392 317.26725
7845.0000 45 0 -110.50524 1.67983 1.75421 -110.55661 306.11769
7850.0000 45 0 -110.83024 1.75569 1.74694 -110.64864 320.90825
7855.0000 45 0 -110.85027 1.89696 1.71851 -111.00825 301.54968
7860.0000 45 0 -110.56042 2.01068 1.74470 -110.67695 329.46188
7865.0000 45 0 -110.47592 1.99520 1.76291 -110.44656 341.50969
7870.0000 45 0 -111.00895 1.81776 1.73576 -110.79007 314.90953
7875.0000 45 0 -110.82738 1.79855 1.72253 -110.95742 301.00589
7880.0000 45 0 -110.48483 1.75619 1.74707 -110.64693 327.76440
7885.0000 45 0 -110.87765 1.82911 1.74162 -110.71593 325.53970
7890.0000 45 0 -111.13465 1.86766 1.72681 -110.90326 312.70518
7895.0000 45 0 -110.97786 1.61896 1.72869 -110.87944 311.68380
7900.0000 45 0 -110.77942 1.95717 1.73776 -110.76480 322.59336
7905.0000 45 0 -110.97372 1.92102 1.73415 -110.81037 319.11613
7910.0000 45 0 -111.03856 1.66974 1.72166 -110.96845 305.30482
7915.0000 45 0 -110.68478 2.03468 1.74158 -110.71639 330.52356
7920.0000 45 0 -110.70979 2.11112 1.73373 -110.81572 333.30637
7925.0000 45 0 -111.06484 1.46002 1.73470 -110.80343 323.26864
7930.0000 45 0 -111.08233 2.03529 1.71522 -111.04986 314.31036
7935.0000 45 0 -111.20709 1.77852 1.71562 -111.04489 316.84340
7940.0000 45 0 -111.66210 1.55448 1.69311 -111.32966 291.17801
7945.0000 45 0 -111.82926 1.78446 1.65397 -111.82484 253.76851
7950.0000 45 0 -111.85124 1.66402 1.64129 -111.98527 242.14596
7955.0000 45 0 -111.26074 1.51348 1.68429 -111.44116 283.24325
7960.0000 45 0 -110.85052 2.06805 1.72684 -110.90290 332.85533
7965.0000 45 0 -111.53733 1.64706 1.71922 -110.99928 321.36293
7970.0000 45 0 -111.45805 1.55697 1.70708 -111.15295 306.58936
7975.0000 45 0 -111.12803 1.74380 1.70252 -111.21054 303.82373
7980.0000 45 0 -111.45076 1.62039 1.69656 -111.28602 297.70790
7985.0000 45 0 -111.38358 1.66480 1.68872 -111.38519 287.55095
7990.0000 45 0 -111.27311 1.60318 1.69184 -111.34566 290.34195
7995.0000 45 0 -111.05511 1.85183 1.68925 -111.37849 284.98053
8000.0000 45 0 -110.98228 1.74171 1.71659 -111.03253 315.27737
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 32.3759134 [s].
main_MD> Deallocating global variables
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