tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/growthSims/run_77/growth.log

1218 lines
116 KiB
Plaintext
Raw Blame History

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 = 55 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1100
main_MD> Size of nv and nvoiz: 77 7700
main_MD> Size of nv and nvoiz: 77 7700
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 = 77
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> 2.3317128476643682E-002 -0.11175967530629936 -0.10831892605322947 initial drift of cluster / NP1 for coalescence
init> 0.37129816737594412 0.35681608458227732 0.33797269700575039 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 0.00000 2.88576
preparo> THERMALIZATION PROCESS AT 300.39808894541966
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -137.90380814590151 2.1175007009872862 -140.02130884688879 3.6215912653663780E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for growth
main_MD> Now the computation of EXECUTION TIME starts
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22170 -2.54339 -1.39854
force_rgl> df(natom) 0.00000 0.00000 0.00000
5.0000 56 0 -138.59160 3.05238 1.85071 -138.11079 310.36733
10.0000 56 0 -139.46960 2.43625 1.79029 -138.99513 392.97099
15.0000 56 0 -140.35902 2.15408 1.72167 -139.99948 317.91719
20.0000 56 0 -140.62145 2.11218 1.70111 -140.30042 301.68371
25.0000 56 0 -140.39941 2.17359 1.68405 -140.55015 283.43654
30.0000 56 0 -140.21384 2.49035 1.70647 -140.22204 308.28886
35.0000 56 0 -140.37886 2.16496 1.70550 -140.23616 308.29636
40.0000 56 0 -140.22560 1.98829 1.69379 -140.40765 295.85483
45.0000 56 0 -140.34354 2.01694 1.71335 -140.12134 314.32717
50.0000 56 0 -139.96148 2.45318 1.69775 -140.34971 294.95141
55.0000 56 0 -140.03820 2.74086 1.73767 -139.76537 338.74687
60.0000 56 0 -140.13494 2.39346 1.71955 -140.03060 320.75729
65.0000 56 0 -140.40551 1.95608 1.69510 -140.38848 290.24256
70.0000 56 0 -140.60575 1.91623 1.67789 -140.64031 273.04868
75.0000 56 0 -140.14891 2.37994 1.69207 -140.43277 284.72090
80.0000 56 0 -139.85615 2.37914 1.72081 -140.01215 324.66827
85.0000 56 0 -140.72626 2.08481 1.69300 -140.41917 292.38846
90.0000 56 0 -140.54470 1.80160 1.67900 -140.62405 273.20150
95.0000 56 0 -139.78595 2.13753 1.71015 -140.16821 307.77957
100.0000 56 0 -139.95522 2.31265 1.72420 -139.96247 319.97869
105.0000 56 0 -139.97467 2.07927 1.71396 -140.11235 305.85953
110.0000 56 0 -139.87083 2.22975 1.73003 -139.87719 325.25528
115.0000 56 0 -140.09293 2.57432 1.71321 -140.12329 315.32279
120.0000 56 0 -140.56870 1.93200 1.69217 -140.43132 292.24414
125.0000 56 0 -140.54407 2.00175 1.67534 -140.67774 275.33241
130.0000 56 0 -140.37978 2.36809 1.69948 -140.32436 305.35284
135.0000 56 0 -140.13859 2.34765 1.70798 -140.19989 311.68821
140.0000 56 0 -139.72461 2.07963 1.70954 -140.17708 312.42394
145.0000 56 0 -139.67523 2.24297 1.73533 -139.79965 341.76904
150.0000 56 0 -139.76258 2.41159 1.75894 -139.45394 358.48110
155.0000 56 0 -140.43580 2.27257 1.72594 -139.93709 326.80159
160.0000 56 0 -140.50660 1.94103 1.69829 -140.34172 302.77667
165.0000 56 0 -140.30615 2.51657 1.68667 -140.51177 292.03134
170.0000 56 0 -140.69270 1.92379 1.68082 -140.59745 285.04902
175.0000 56 0 -140.44667 2.13824 1.67410 -140.69584 277.03622
180.0000 56 0 -139.92669 2.24236 1.71411 -140.11019 317.97456
185.0000 56 0 -140.22660 2.26473 1.72614 -139.93408 323.69380
190.0000 56 0 -140.58840 1.97078 1.71336 -140.12120 316.97221
195.0000 56 0 -139.88254 2.51397 1.69795 -140.34675 299.79605
200.0000 56 0 -139.47225 2.43285 1.74845 -139.60762 353.80127
205.0000 56 0 -139.82101 2.18363 1.73410 -139.81759 336.75036
210.0000 56 0 -139.87614 2.19025 1.73695 -139.77592 335.53375
215.0000 56 0 -139.67080 2.56015 1.72664 -139.92675 331.46426
220.0000 56 0 -139.82142 2.40903 1.72327 -139.97615 327.20065
225.0000 56 0 -140.26553 2.03837 1.73176 -139.85181 329.62861
230.0000 56 0 -139.90227 2.32393 1.70693 -140.21530 301.53829
235.0000 56 0 -139.88084 2.40658 1.72998 -139.87793 325.12199
240.0000 56 0 -139.89012 2.20452 1.75269 -139.54553 349.07729
245.0000 56 0 -140.07078 2.08781 1.72452 -139.95775 321.76224
250.0000 56 0 -140.25177 2.27157 1.69397 -140.40504 290.41399
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.99211 1.13264 0.17658
force_rgl> df(natom) 0.00000 0.00000 0.00000
255.0000 57 0 -140.11341 3.33749 1.89002 -140.15702 323.56124
260.0000 57 0 -141.90722 2.36202 1.83323 -140.99808 407.75467
265.0000 57 0 -142.51195 2.12844 1.75355 -142.17826 329.10871
270.0000 57 0 -142.46959 2.10651 1.73667 -142.42831 308.41451
275.0000 57 0 -142.76833 2.29817 1.72518 -142.59848 314.59500
280.0000 57 0 -142.45828 2.47328 1.71288 -142.78065 301.85350
285.0000 57 0 -143.06950 1.93287 1.71928 -142.68588 306.15042
290.0000 57 0 -142.75681 2.24293 1.69648 -143.02346 286.97790
295.0000 57 0 -142.36234 2.38538 1.73277 -142.48596 317.02122
300.0000 57 0 -142.64746 2.41751 1.72395 -142.61666 307.84715
305.0000 57 0 -142.75905 1.94114 1.71957 -142.68147 307.72676
310.0000 57 0 -142.67354 1.88584 1.71773 -142.70875 310.02417
315.0000 57 0 -143.14046 1.85343 1.70582 -142.88515 294.86582
320.0000 57 0 -142.03837 2.39398 1.72488 -142.60283 308.78580
325.0000 57 0 -142.37188 2.28307 1.74787 -142.26232 329.30552
330.0000 57 0 -142.25953 2.47110 1.72494 -142.60203 310.47165
335.0000 57 0 -142.26710 2.52931 1.75126 -142.21220 341.34737
340.0000 57 0 -142.67084 2.37577 1.72370 -142.62031 312.70714
345.0000 57 0 -143.37045 1.92987 1.68763 -143.15457 276.24508
350.0000 57 0 -142.57674 2.13904 1.71409 -142.76271 301.05107
355.0000 57 0 -142.77900 2.34622 1.71167 -142.79849 300.15735
360.0000 57 0 -142.54758 2.32438 1.72738 -142.56591 316.84246
365.0000 57 0 -142.94404 2.08988 1.72959 -142.53309 318.14657
370.0000 57 0 -142.50699 2.46367 1.71977 -142.67852 307.22617
375.0000 57 0 -142.41807 2.30063 1.72804 -142.55605 317.66550
380.0000 57 0 -142.88118 2.04465 1.72238 -142.63985 314.57702
385.0000 57 0 -142.93713 1.78315 1.71015 -142.82100 300.17387
390.0000 57 0 -143.09410 2.09970 1.71301 -142.77871 299.19237
395.0000 57 0 -142.64165 2.41062 1.70791 -142.85425 294.85965
400.0000 57 0 -142.39160 2.70390 1.72284 -142.63314 310.72691
405.0000 57 0 -142.48404 2.42518 1.72607 -142.58520 318.95047
410.0000 57 0 -143.13647 2.19783 1.72281 -142.63350 312.30029
415.0000 57 0 -142.57759 2.07307 1.71750 -142.71221 305.17110
420.0000 57 0 -142.47453 2.38584 1.72980 -142.52996 319.56467
425.0000 57 0 -142.50349 2.39897 1.74852 -142.25271 335.05311
430.0000 57 0 -142.86653 2.53769 1.73416 -142.46543 324.61752
435.0000 57 0 -142.47690 2.61417 1.72871 -142.54616 322.09362
440.0000 57 0 -142.79377 1.87951 1.71766 -142.70974 308.69792
445.0000 57 0 -142.45978 2.23851 1.72542 -142.59482 316.70880
450.0000 57 0 -142.13915 2.50858 1.73656 -142.42981 320.46411
455.0000 57 0 -142.44493 2.36022 1.72948 -142.53471 309.48274
460.0000 57 0 -142.27296 2.36664 1.73045 -142.52043 308.76103
465.0000 57 0 -142.57512 2.16032 1.72031 -142.67062 300.11658
470.0000 57 0 -142.73087 2.22122 1.73965 -142.38406 319.23579
475.0000 57 0 -142.93373 2.22714 1.71273 -142.78277 297.93504
480.0000 57 0 -142.68098 2.40529 1.71566 -142.73939 305.27128
485.0000 57 0 -142.48639 2.74067 1.72957 -142.53346 321.66555
490.0000 57 0 -142.72397 2.34732 1.71397 -142.76440 305.32602
495.0000 57 0 -142.96022 1.93068 1.71872 -142.69414 306.18423
500.0000 57 0 -142.84674 1.97668 1.70808 -142.85175 295.62838
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55050 -0.66041 1.00871
force_rgl> df(natom) 0.00000 0.00000 0.00000
505.0000 58 0 -143.37347 2.97075 1.87895 -142.94639 303.86161
510.0000 58 0 -144.22161 2.42284 1.80240 -144.09343 361.18486
515.0000 58 0 -144.52622 2.57254 1.77168 -144.55373 343.42893
520.0000 58 0 -144.70420 2.32012 1.75699 -144.77381 330.93479
525.0000 58 0 -145.06989 2.34548 1.75873 -144.74774 334.09570
530.0000 58 0 -144.86197 2.36425 1.73346 -145.12637 298.70525
535.0000 58 0 -145.23498 1.97478 1.75126 -144.85964 317.47009
540.0000 58 0 -145.08038 2.21648 1.73928 -145.03911 308.35286
545.0000 58 0 -145.51000 2.03427 1.70953 -145.48497 288.00382
550.0000 58 0 -145.20072 2.51588 1.70477 -145.55625 282.86359
555.0000 58 0 -145.51482 2.23462 1.71578 -145.39133 293.86886
560.0000 58 0 -145.42191 1.92100 1.70428 -145.56366 286.31456
565.0000 58 0 -145.32905 2.14549 1.72396 -145.26877 309.85469
570.0000 58 0 -145.28753 2.19535 1.73231 -145.14368 307.76525
575.0000 58 0 -145.49538 2.07260 1.72650 -145.23067 297.89958
580.0000 58 0 -145.71323 2.01522 1.71355 -145.42472 277.73718
585.0000 58 0 -145.17561 2.28007 1.70794 -145.50874 278.30994
590.0000 58 0 -144.66856 2.50027 1.74077 -145.01687 305.68170
595.0000 58 0 -144.91173 2.44016 1.76469 -144.65842 339.69678
600.0000 58 0 -144.94468 2.32299 1.75117 -144.86097 318.55693
605.0000 58 0 -145.01218 2.36319 1.74637 -144.93287 313.04080
610.0000 58 0 -145.25970 2.64967 1.71332 -145.42818 297.85659
615.0000 58 0 -145.07174 2.62187 1.73716 -145.07095 313.96557
620.0000 58 0 -144.73246 2.46759 1.75380 -144.82168 329.91423
625.0000 58 0 -145.18574 2.37534 1.72423 -145.26462 302.99919
630.0000 58 0 -145.30192 2.21053 1.71933 -145.33804 301.40559
635.0000 58 0 -144.62936 2.33165 1.75569 -144.79329 327.62569
640.0000 58 0 -145.46610 1.92848 1.72219 -145.29524 300.21750
645.0000 58 0 -145.13000 2.57478 1.71492 -145.40416 296.79198
650.0000 58 0 -145.82447 1.69330 1.70983 -145.48043 283.25903
655.0000 58 0 -145.52866 2.37084 1.69890 -145.64418 278.93213
660.0000 58 0 -145.72725 2.25463 1.71529 -145.39857 293.54393
665.0000 58 0 -145.56319 2.12620 1.71092 -145.46411 290.61427
670.0000 58 0 -145.02165 2.13538 1.73172 -145.15241 312.20728
675.0000 58 0 -145.44078 1.93430 1.72262 -145.28876 300.56383
680.0000 58 0 -144.90787 2.42409 1.73756 -145.06493 317.38601
685.0000 58 0 -145.02483 2.45285 1.74343 -144.97696 320.71413
690.0000 58 0 -145.01604 2.25820 1.74635 -144.93317 320.65614
695.0000 58 0 -145.61876 2.12682 1.72002 -145.32773 299.31767
700.0000 58 0 -145.14116 2.38231 1.72320 -145.28008 301.97088
705.0000 58 0 -145.25320 2.44712 1.72312 -145.28128 299.33560
710.0000 58 0 -145.20878 2.08317 1.72421 -145.26493 302.88728
715.0000 58 0 -145.61971 2.01751 1.72146 -145.30619 299.85323
720.0000 58 0 -145.39025 2.29787 1.71729 -145.36868 297.28275
725.0000 58 0 -144.88201 2.70562 1.72631 -145.23350 307.97837
730.0000 58 0 -144.97689 2.45931 1.75318 -144.83083 328.80651
735.0000 58 0 -145.37099 2.04951 1.71760 -145.36397 295.05929
740.0000 58 0 -145.27710 2.58739 1.72751 -145.21547 305.41312
745.0000 58 0 -144.77314 2.49184 1.73158 -145.15458 312.91828
750.0000 58 0 -145.40225 2.08155 1.74012 -145.02654 315.53363
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11224 1.69309 0.93893
force_rgl> df(natom) 0.00000 0.00000 0.00000
755.0000 59 0 -145.61042 3.10224 1.86882 -145.72719 287.22242
760.0000 59 0 -147.01472 2.47572 1.82037 -146.46157 359.32597
765.0000 59 0 -147.34136 2.67317 1.77745 -147.11193 331.75814
770.0000 59 0 -147.34232 2.35866 1.75574 -147.44098 333.32062
775.0000 59 0 -147.85036 2.01009 1.73348 -147.77845 311.52339
780.0000 59 0 -148.02511 2.38280 1.71432 -148.06873 295.23579
785.0000 59 0 -147.84842 2.43415 1.71700 -148.02820 299.15165
790.0000 59 0 -147.73535 2.28935 1.73988 -147.68140 310.26509
795.0000 59 0 -147.84572 2.08735 1.73536 -147.74992 313.22568
800.0000 59 0 -147.16046 2.60377 1.74967 -147.53296 329.31268
805.0000 59 0 -147.74682 2.29305 1.75378 -147.47072 330.84078
810.0000 59 0 -147.88189 2.25115 1.71752 -148.02021 294.67200
815.0000 59 0 -147.44115 2.37982 1.74021 -147.67637 315.84097
820.0000 59 0 -148.23030 2.07575 1.71744 -148.02140 297.91163
825.0000 59 0 -148.23295 2.43017 1.70304 -148.23965 281.89406
830.0000 59 0 -147.98832 2.10618 1.71079 -148.12231 289.98600
835.0000 59 0 -148.36785 2.07260 1.71714 -148.02596 297.36425
840.0000 59 0 -148.76221 1.84802 1.68862 -148.45818 270.76418
845.0000 59 0 -147.78953 2.62471 1.71317 -148.08619 293.60618
850.0000 59 0 -147.62106 2.12815 1.72783 -147.86403 311.29685
855.0000 59 0 -147.82285 2.32989 1.73835 -147.70460 318.46375
860.0000 59 0 -147.85206 2.52211 1.72666 -147.88176 307.16390
865.0000 59 0 -147.53807 2.43918 1.74784 -147.56069 328.00777
870.0000 59 0 -147.76410 2.14551 1.74576 -147.59221 323.27161
875.0000 59 0 -147.79015 2.55790 1.73696 -147.72568 317.73326
880.0000 59 0 -147.37511 2.37816 1.74225 -147.64552 321.13833
885.0000 59 0 -147.63036 2.42333 1.75254 -147.48949 332.32756
890.0000 59 0 -147.45254 2.63011 1.75063 -147.51844 327.22670
895.0000 59 0 -147.65725 2.34544 1.73808 -147.70871 314.99020
900.0000 59 0 -147.22918 2.73468 1.75320 -147.47944 332.59920
905.0000 59 0 -147.81113 2.53576 1.71759 -148.01918 297.70559
910.0000 59 0 -148.47351 1.87653 1.70201 -148.25528 280.19404
915.0000 59 0 -148.10539 2.35737 1.70913 -148.14740 290.22470
920.0000 59 0 -148.17051 2.10336 1.68891 -148.45379 272.75199
925.0000 59 0 -148.62245 2.00372 1.70337 -148.23472 287.64475
930.0000 59 0 -148.33181 2.21015 1.67713 -148.63245 259.03894
935.0000 59 0 -147.73676 2.35841 1.71018 -148.13154 290.13753
940.0000 59 0 -148.32152 2.06632 1.72485 -147.90924 306.04509
945.0000 59 0 -148.21095 1.95645 1.70833 -148.15953 294.65217
950.0000 59 0 -147.95452 2.15139 1.73376 -147.77411 312.55432
955.0000 59 0 -147.53298 2.54989 1.73704 -147.72446 316.07633
960.0000 59 0 -148.42308 1.82054 1.71002 -148.13395 290.21611
965.0000 59 0 -147.56739 2.32859 1.71477 -148.06191 299.31909
970.0000 59 0 -147.88884 2.32898 1.72146 -147.96056 301.35829
975.0000 59 0 -147.62583 2.30160 1.73630 -147.73564 317.45359
980.0000 59 0 -147.80717 2.27698 1.72545 -147.90015 304.07869
985.0000 59 0 -147.91958 2.19732 1.73476 -147.75901 314.49301
990.0000 59 0 -148.04741 2.40184 1.70325 -148.23652 284.40652
995.0000 59 0 -147.75280 2.73052 1.73158 -147.80715 316.20041
1000.0000 59 0 -147.80460 2.43493 1.72517 -147.90439 302.99314
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56460 2.14040 -0.23139
force_rgl> df(natom) 0.00000 0.00000 0.00000
1005.0000 60 0 -147.90096 3.61605 1.92046 -147.56670 340.51673
1010.0000 60 0 -149.62509 2.47797 1.84638 -148.70207 416.08805
1015.0000 60 0 -150.70005 2.38437 1.74910 -150.19294 332.32609
1020.0000 60 0 -150.86211 2.59602 1.71433 -150.72593 302.10065
1025.0000 60 0 -150.67997 2.52886 1.70094 -150.93112 292.15655
1030.0000 60 0 -150.87999 2.16100 1.70042 -150.93902 295.54370
1035.0000 60 0 -150.96183 2.45512 1.69720 -150.98837 284.88584
1040.0000 60 0 -150.91543 2.08341 1.69934 -150.95556 287.77527
1045.0000 60 0 -149.74796 2.91539 1.74806 -150.20885 329.00458
1050.0000 60 0 -149.96711 2.54574 1.76256 -149.98671 349.59936
1055.0000 60 0 -150.62688 2.15048 1.72744 -150.52497 311.45485
1060.0000 60 0 -150.76086 2.41112 1.73749 -150.37088 323.42265
1065.0000 60 0 -151.04812 2.06801 1.70055 -150.93704 286.21785
1070.0000 60 0 -150.64146 2.33686 1.71436 -150.72546 298.43950
1075.0000 60 0 -150.44151 2.36652 1.72739 -150.52564 307.48526
1080.0000 60 0 -150.32641 2.51859 1.73451 -150.41664 317.83050
1085.0000 60 0 -150.53643 2.28897 1.72486 -150.56453 309.43764
1090.0000 60 0 -150.67154 1.97528 1.72449 -150.57018 310.21617
1095.0000 60 0 -150.84466 2.18608 1.71439 -150.72490 303.28749
1100.0000 60 0 -151.25842 2.09840 1.69013 -151.09674 277.68792
1105.0000 60 0 -151.04302 2.14060 1.69354 -151.04449 276.03519
1110.0000 60 0 -150.78046 1.89815 1.71670 -150.68948 300.94007
1115.0000 60 0 -150.85463 2.31133 1.71347 -150.73897 299.99004
1120.0000 60 0 -151.12254 2.27946 1.69359 -151.04371 280.19018
1125.0000 60 0 -151.01673 2.00600 1.70470 -150.87342 285.00281
1130.0000 60 0 -151.01667 2.30125 1.67831 -151.27794 262.48493
1135.0000 60 0 -150.59097 2.39792 1.70067 -150.93525 289.40333
1140.0000 60 0 -150.33604 2.56856 1.72286 -150.59514 309.20035
1145.0000 60 0 -150.66318 2.44841 1.73617 -150.39115 316.66399
1150.0000 60 0 -149.91475 2.82545 1.74533 -150.25078 328.77595
1155.0000 60 0 -150.28473 2.65847 1.75560 -150.09328 338.63427
1160.0000 60 0 -150.79655 2.27350 1.71050 -150.78458 293.90104
1165.0000 60 0 -150.92741 2.01403 1.69872 -150.96512 284.54920
1170.0000 60 0 -150.63290 2.22065 1.72437 -150.57191 308.99833
1175.0000 60 0 -150.28543 2.02121 1.70792 -150.82411 292.92037
1180.0000 60 0 -151.15542 1.91164 1.71838 -150.66377 302.98839
1185.0000 60 0 -151.00640 2.23666 1.69339 -151.04680 281.92036
1190.0000 60 0 -150.54460 2.53616 1.71841 -150.66325 307.16646
1195.0000 60 0 -149.95145 2.29484 1.76350 -149.97234 345.09578
1200.0000 60 0 -150.39667 2.32615 1.73347 -150.43256 319.82940
1205.0000 60 0 -150.39361 2.20447 1.73406 -150.42339 313.44855
1210.0000 60 0 -150.23371 2.62011 1.73741 -150.37215 314.54805
1215.0000 60 0 -150.51059 2.38420 1.73942 -150.34139 317.31680
1220.0000 60 0 -150.55728 2.47093 1.72403 -150.57721 306.63267
1225.0000 60 0 -150.45739 2.32001 1.73780 -150.36619 321.06956
1230.0000 60 0 -150.96202 2.22882 1.72762 -150.52224 314.63893
1235.0000 60 0 -151.04886 2.04673 1.69661 -150.99747 283.17037
1240.0000 60 0 -150.52344 2.64817 1.71877 -150.65774 307.06193
1245.0000 60 0 -150.34614 2.82806 1.72590 -150.54860 312.72360
1250.0000 60 0 -150.87669 2.19560 1.69965 -150.95083 283.33854
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51830 -2.78853 0.20266
force_rgl> df(natom) 0.00000 0.00000 0.00000
1255.0000 61 0 -151.01953 3.21407 1.87931 -150.82817 312.48688
1260.0000 61 0 -152.59978 2.33751 1.81259 -151.86211 370.02694
1265.0000 61 0 -153.17060 2.09580 1.71606 -153.35795 284.80322
1270.0000 61 0 -153.09097 2.44203 1.72660 -153.19457 293.87445
1275.0000 61 0 -153.01433 2.59284 1.73553 -153.05620 310.14293
1280.0000 61 0 -153.35960 2.29680 1.73270 -153.10006 321.32524
1285.0000 61 0 -153.61926 2.25327 1.70701 -153.49811 299.06434
1290.0000 61 0 -153.67273 2.31886 1.68511 -153.83757 278.57902
1295.0000 61 0 -153.89419 2.08915 1.69044 -153.75496 278.87363
1300.0000 61 0 -154.29974 1.79833 1.68116 -153.89865 273.21982
1305.0000 61 0 -153.94536 1.89323 1.67203 -154.04028 264.37286
1310.0000 61 0 -154.35649 1.70929 1.67037 -154.06601 261.13785
1315.0000 61 0 -153.87244 2.07340 1.67088 -154.05809 261.57126
1320.0000 61 0 -153.39334 2.36940 1.70946 -153.46013 298.82298
1325.0000 61 0 -153.82714 2.06927 1.69682 -153.65601 286.43525
1330.0000 61 0 -154.00909 1.92703 1.68767 -153.79792 275.53366
1335.0000 61 0 -153.69134 2.31015 1.67146 -154.04905 266.58197
1340.0000 61 0 -153.19638 2.66792 1.70704 -153.49762 300.03025
1345.0000 61 0 -153.83462 2.28515 1.70226 -153.57173 289.79162
1350.0000 61 0 -153.37879 2.13004 1.70430 -153.54010 294.12536
1355.0000 61 0 -153.29516 2.45105 1.72241 -153.25959 311.69739
1360.0000 61 0 -152.60540 2.83303 1.73250 -153.10321 320.91564
1365.0000 61 0 -153.08164 2.00771 1.73593 -153.05008 324.67428
1370.0000 61 0 -153.67930 2.05355 1.71214 -153.41864 301.48235
1375.0000 61 0 -153.42534 2.53286 1.70807 -153.48169 297.86108
1380.0000 61 0 -153.63020 2.34453 1.70629 -153.50936 294.70821
1385.0000 61 0 -153.70916 2.16991 1.69859 -153.62865 290.03082
1390.0000 61 0 -153.38039 2.86079 1.71956 -153.30370 308.73498
1395.0000 61 0 -153.53719 2.36148 1.70423 -153.54119 295.36182
1400.0000 61 0 -153.64924 2.27255 1.69653 -153.66048 284.60294
1405.0000 61 0 -153.40160 2.21745 1.70122 -153.58789 291.32892
1410.0000 61 0 -153.11439 2.82720 1.73399 -153.08005 319.76466
1415.0000 61 0 -152.80097 2.62456 1.73692 -153.03474 326.42983
1420.0000 61 0 -153.23854 2.40394 1.73549 -153.05688 322.56743
1425.0000 61 0 -153.37433 2.46716 1.72490 -153.22096 311.33218
1430.0000 61 0 -153.53169 1.91394 1.69235 -153.72527 282.81391
1435.0000 61 0 -152.52432 3.21927 1.73745 -153.02648 323.36972
1440.0000 61 0 -153.51525 2.09211 1.73666 -153.03868 323.54410
1445.0000 61 0 -153.69186 2.33300 1.69103 -153.74575 280.83005
1450.0000 61 0 -153.57134 2.39711 1.69412 -153.69782 287.07814
1455.0000 61 0 -153.46184 2.12845 1.70475 -153.53324 293.94444
1460.0000 61 0 -153.05634 2.45299 1.70393 -153.54583 294.91241
1465.0000 61 0 -153.39884 2.46588 1.74157 -152.96263 330.97645
1470.0000 61 0 -153.54261 2.17213 1.71392 -153.39105 300.94749
1475.0000 61 0 -153.58996 2.52106 1.71731 -153.33852 307.80456
1480.0000 61 0 -153.27326 2.60959 1.70526 -153.52533 295.06097
1485.0000 61 0 -153.16909 2.46720 1.71542 -153.36776 304.20069
1490.0000 61 0 -152.65784 2.66198 1.74739 -152.87246 336.28818
1495.0000 61 0 -152.57027 2.58011 1.76463 -152.60524 350.71352
1500.0000 61 0 -153.51150 2.11823 1.72482 -153.22211 312.41802
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11367 -1.24423 3.35245
force_rgl> df(natom) 0.00000 0.00000 0.00000
1505.0000 62 0 -152.96019 3.61707 1.89752 -153.17558 325.07273
1510.0000 62 0 -155.61645 2.61747 1.82186 -154.36066 371.55772
1515.0000 62 0 -155.24103 2.60623 1.73985 -155.64542 289.82797
1520.0000 62 0 -155.99777 2.19478 1.72775 -155.83497 290.31811
1525.0000 62 0 -155.47595 2.26125 1.73696 -155.69062 286.56243
1530.0000 62 0 -155.24426 2.95098 1.75604 -155.39175 306.40232
1535.0000 62 0 -155.22069 2.69398 1.75865 -155.35087 308.94505
1540.0000 62 0 -155.06794 2.65781 1.75479 -155.41142 307.08786
1545.0000 62 0 -154.56296 2.99280 1.78119 -154.99789 334.29746
1550.0000 62 0 -154.67396 2.75991 1.79443 -154.79049 350.59376
1555.0000 62 0 -155.08127 2.52771 1.77111 -155.15571 328.40708
1560.0000 62 0 -155.50334 2.49845 1.75107 -155.46964 311.70184
1565.0000 62 0 -155.48262 2.41900 1.74532 -155.55968 308.43478
1570.0000 62 0 -155.87547 2.48743 1.75218 -155.45230 312.54369
1575.0000 62 0 -156.01204 2.09978 1.73834 -155.66902 300.55254
1580.0000 62 0 -155.68470 2.42046 1.72602 -155.86211 290.29326
1585.0000 62 0 -155.52982 2.74425 1.74810 -155.51612 309.06454
1590.0000 62 0 -155.30719 2.56448 1.76140 -155.30776 321.86164
1595.0000 62 0 -155.61917 2.43528 1.75187 -155.45712 312.37215
1600.0000 62 0 -155.53858 2.21470 1.75245 -155.44804 318.21847
1605.0000 62 0 -155.40306 3.03901 1.75628 -155.38811 321.76391
1610.0000 62 0 -155.44302 2.66218 1.75043 -155.47969 313.38643
1615.0000 62 0 -155.87318 2.32147 1.71974 -155.96049 281.67468
1620.0000 62 0 -155.07881 2.67083 1.71744 -155.99647 275.19030
1625.0000 62 0 -155.74550 2.50103 1.76290 -155.28427 327.41860
1630.0000 62 0 -155.06085 2.57892 1.73655 -155.69705 296.52898
1635.0000 62 0 -155.45457 2.35215 1.74959 -155.49282 315.14406
1640.0000 62 0 -155.38128 2.19450 1.75512 -155.40623 318.72717
1645.0000 62 0 -155.30868 2.56748 1.76068 -155.31919 321.78339
1650.0000 62 0 -155.50613 2.57890 1.75592 -155.39371 317.47820
1655.0000 62 0 -155.65035 2.45890 1.73964 -155.64871 299.47043
1660.0000 62 0 -155.84542 2.37989 1.73542 -155.71486 289.80858
1665.0000 62 0 -156.17057 2.03691 1.71168 -156.08674 270.34102
1670.0000 62 0 -155.72875 2.62943 1.71555 -156.02606 279.03968
1675.0000 62 0 -155.57689 2.71363 1.74306 -155.59511 307.74512
1680.0000 62 0 -155.25388 2.13766 1.74710 -155.53185 306.91765
1685.0000 62 0 -156.60133 1.89272 1.70989 -156.11473 270.65754
1690.0000 62 0 -156.11563 1.83827 1.71237 -156.07586 274.72795
1695.0000 62 0 -154.98252 2.31284 1.76406 -155.26623 328.70476
1700.0000 62 0 -155.26386 2.54301 1.76474 -155.25558 322.30294
1705.0000 62 0 -155.77512 2.45511 1.76324 -155.27896 323.92777
1710.0000 62 0 -155.61774 2.42887 1.72322 -155.90599 282.00922
1715.0000 62 0 -155.11140 2.09256 1.75398 -155.42403 308.64895
1720.0000 62 0 -155.01579 2.60450 1.77537 -155.08900 327.59177
1725.0000 62 0 -155.74579 2.13017 1.76515 -155.24905 321.47516
1730.0000 62 0 -155.17523 2.30531 1.74278 -155.59947 304.99328
1735.0000 62 0 -155.58464 2.53592 1.75486 -155.41021 314.22237
1740.0000 62 0 -155.66334 2.00724 1.74602 -155.54879 306.38428
1745.0000 62 0 -155.46213 2.28305 1.74323 -155.59253 303.42248
1750.0000 62 0 -155.55236 2.54294 1.74862 -155.50807 307.65179
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58803 -2.13319 0.92038
force_rgl> df(natom) 0.00000 0.00000 0.00000
1755.0000 63 0 -155.47828 3.75121 1.91450 -155.53786 315.32133
1760.0000 63 0 -156.94181 3.03314 1.87083 -156.22934 385.98805
1765.0000 63 0 -157.03988 3.20485 1.80969 -157.19729 344.99887
1770.0000 63 0 -157.91708 2.41037 1.78626 -157.56831 335.89674
1775.0000 63 0 -158.29877 2.78242 1.75365 -158.08471 309.77203
1780.0000 63 0 -157.94936 2.87453 1.73944 -158.30961 310.71560
1785.0000 63 0 -158.54518 2.44261 1.74772 -158.17845 316.39527
1790.0000 63 0 -158.32272 2.53460 1.71913 -158.63121 293.97849
1795.0000 63 0 -158.22028 2.33891 1.74335 -158.24765 315.62784
1800.0000 63 0 -158.64748 2.58136 1.73763 -158.33821 307.63028
1805.0000 63 0 -158.42718 2.66731 1.73293 -158.41270 302.55636
1810.0000 63 0 -158.76648 2.15065 1.71233 -158.73891 285.09923
1815.0000 63 0 -158.99887 2.31669 1.69749 -158.97380 272.49671
1820.0000 63 0 -158.73039 2.60981 1.69342 -159.03822 269.54845
1825.0000 63 0 -157.86902 2.06390 1.72367 -158.55935 298.89817
1830.0000 63 0 -158.48467 2.52599 1.74242 -158.26245 313.48382
1835.0000 63 0 -158.06015 2.79505 1.74160 -158.27544 312.99450
1840.0000 63 0 -158.04285 2.73752 1.73939 -158.31048 311.89643
1845.0000 63 0 -158.81225 1.95678 1.73334 -158.40619 302.73042
1850.0000 63 0 -157.48544 2.89683 1.74098 -158.28525 310.99722
1855.0000 63 0 -157.95678 2.45899 1.76828 -157.85308 330.48654
1860.0000 63 0 -158.04229 2.82158 1.74401 -158.23719 313.06779
1865.0000 63 0 -158.40785 2.28042 1.75241 -158.10432 322.06945
1870.0000 63 0 -158.51204 2.21129 1.72416 -158.55154 297.40732
1875.0000 63 0 -158.51088 2.15507 1.71575 -158.68464 289.53796
1880.0000 63 0 -157.39375 3.06442 1.74482 -158.22446 315.18836
1885.0000 63 0 -158.55899 2.22538 1.75029 -158.13778 316.52419
1890.0000 63 0 -157.83074 3.00062 1.75531 -158.05842 323.72350
1895.0000 63 0 -158.26215 2.49953 1.76796 -157.85802 331.76359
1900.0000 63 0 -157.62228 2.81392 1.75601 -158.04725 326.23359
1905.0000 63 0 -158.72855 2.29109 1.73982 -158.30355 318.00544
1910.0000 63 0 -158.29670 2.40970 1.73702 -158.34795 311.19202
1915.0000 63 0 -157.92561 2.76130 1.74839 -158.16799 318.84597
1920.0000 63 0 -157.71071 2.90181 1.75991 -157.98555 333.96497
1925.0000 63 0 -158.96140 1.83921 1.74721 -158.18666 316.87410
1930.0000 63 0 -158.93742 2.13851 1.69283 -159.04767 265.70364
1935.0000 63 0 -158.71401 2.41420 1.70845 -158.80024 280.05900
1940.0000 63 0 -158.86008 2.11826 1.70666 -158.82868 285.91948
1945.0000 63 0 -158.44153 2.50196 1.70958 -158.78233 284.72218
1950.0000 63 0 -157.39073 3.13430 1.76060 -157.97464 334.50834
1955.0000 63 0 -158.14961 2.43149 1.77661 -157.72112 347.35111
1960.0000 63 0 -158.34501 2.28345 1.74307 -158.25219 314.03230
1965.0000 63 0 -158.64157 2.45046 1.74136 -158.27915 311.50301
1970.0000 63 0 -157.91821 2.68347 1.73988 -158.30272 316.78981
1975.0000 63 0 -158.44557 2.63658 1.75762 -158.02186 325.49255
1980.0000 63 0 -158.32289 2.46452 1.73559 -158.37059 308.63354
1985.0000 63 0 -158.88348 2.06104 1.72054 -158.60882 292.43504
1990.0000 63 0 -158.46075 1.96980 1.72386 -158.55638 295.90267
1995.0000 63 0 -159.25914 1.96136 1.71049 -158.76792 284.49684
2000.0000 63 0 -158.74953 2.57029 1.69971 -158.93871 275.20578
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.24757 0.49043 2.35589
force_rgl> df(natom) 0.00000 0.00000 0.00000
2005.0000 64 0 -158.63700 3.56624 1.89052 -158.55174 308.14032
2010.0000 64 0 -160.01683 2.96331 1.82466 -159.60551 363.95646
2015.0000 64 0 -160.61945 2.20060 1.77320 -160.42873 323.58762
2020.0000 64 0 -160.79415 2.49384 1.75017 -160.79732 302.80117
2025.0000 64 0 -160.34760 2.57402 1.75504 -160.71934 306.68815
2030.0000 64 0 -160.64323 2.19613 1.76422 -160.57244 316.76451
2035.0000 64 0 -160.72565 2.66933 1.75069 -160.78889 310.24087
2040.0000 64 0 -160.41246 2.73929 1.76254 -160.59929 315.83259
2045.0000 64 0 -160.91442 2.66022 1.76908 -160.49469 326.11530
2050.0000 64 0 -160.96742 2.24936 1.74273 -160.91635 300.28570
2055.0000 64 0 -160.84838 2.92777 1.74313 -160.90994 302.30549
2060.0000 64 0 -161.45820 2.03452 1.72674 -161.17220 286.37662
2065.0000 64 0 -160.68276 2.62230 1.73747 -161.00045 294.10590
2070.0000 64 0 -160.60775 2.74473 1.75162 -160.77404 302.88278
2075.0000 64 0 -160.79200 2.32941 1.75140 -160.77766 309.07620
2080.0000 64 0 -161.05234 2.31963 1.74004 -160.95931 289.92097
2085.0000 64 0 -160.39377 2.25925 1.73635 -161.01847 289.23705
2090.0000 64 0 -160.46654 2.32292 1.77211 -160.44618 320.72948
2095.0000 64 0 -160.37934 2.68651 1.76869 -160.50104 319.99819
2100.0000 64 0 -159.73577 2.88222 1.79629 -160.05932 340.95105
2105.0000 64 0 -160.57655 2.51041 1.78550 -160.23194 333.87451
2110.0000 64 0 -160.52383 2.23745 1.74613 -160.86184 299.84550
2115.0000 64 0 -161.24498 2.44650 1.75018 -160.79713 297.77596
2120.0000 64 0 -161.20326 2.40695 1.72394 -161.21703 277.47637
2125.0000 64 0 -160.91316 2.72097 1.74033 -160.95467 294.59429
2130.0000 64 0 -161.56478 1.91540 1.72519 -161.19701 282.66640
2135.0000 64 0 -161.22171 2.07360 1.72595 -161.18475 280.30369
2140.0000 64 0 -161.21489 2.41783 1.73104 -161.10332 288.62192
2145.0000 64 0 -161.13154 2.38329 1.73445 -161.04877 284.47671
2150.0000 64 0 -161.54188 2.11853 1.71544 -161.35297 271.64183
2155.0000 64 0 -160.30720 2.74475 1.74811 -160.83027 308.49152
2160.0000 64 0 -161.50408 2.31510 1.73405 -161.05521 295.31058
2165.0000 64 0 -161.48621 2.28716 1.70796 -161.47268 271.96954
2170.0000 64 0 -161.14225 2.36585 1.72557 -161.19086 287.68447
2175.0000 64 0 -161.09372 2.30774 1.72709 -161.16652 285.20102
2180.0000 64 0 -161.15125 2.34132 1.73529 -161.03542 291.88818
2185.0000 64 0 -161.37150 2.58141 1.71660 -161.33440 271.63312
2190.0000 64 0 -161.03465 2.51576 1.73668 -161.01308 290.34831
2195.0000 64 0 -160.44564 2.58581 1.73777 -160.99565 296.16454
2200.0000 64 0 -160.83257 2.73816 1.74847 -160.82453 307.43386
2205.0000 64 0 -161.23454 2.18432 1.74256 -160.91902 299.76135
2210.0000 64 0 -160.26167 2.51992 1.73602 -161.02364 294.33034
2215.0000 64 0 -161.40681 2.20515 1.74427 -160.89176 304.00967
2220.0000 64 0 -160.93546 2.46511 1.72635 -161.17842 283.81073
2225.0000 64 0 -161.12364 2.24352 1.72350 -161.22406 279.95132
2230.0000 64 0 -161.43402 2.32473 1.71963 -161.28599 280.32170
2235.0000 64 0 -160.86601 2.40491 1.72763 -161.15786 287.93704
2240.0000 64 0 -160.52034 2.25234 1.75019 -160.79694 307.32259
2245.0000 64 0 -161.03616 2.47617 1.77339 -160.42573 328.69198
2250.0000 64 0 -160.45285 2.58782 1.76093 -160.62512 317.74092
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25529 1.67168 0.36966
force_rgl> df(natom) 0.00000 0.00000 0.00000
2255.0000 65 0 -160.38954 2.83930 1.95200 -160.19357 351.74800
2260.0000 65 0 -161.57435 3.26581 1.89112 -161.17779 406.68994
2265.0000 65 0 -162.18107 3.26912 1.83855 -162.02764 359.14428
2270.0000 65 0 -162.44727 2.98369 1.82419 -162.25974 353.17453
2275.0000 65 0 -163.05843 2.40546 1.80658 -162.54441 338.70387
2280.0000 65 0 -162.51473 2.53126 1.80156 -162.62561 338.28912
2285.0000 65 0 -163.23374 2.47054 1.78712 -162.85893 337.08027
2290.0000 65 0 -163.94981 2.36471 1.73572 -163.68996 289.49353
2295.0000 65 0 -164.22913 2.19338 1.72942 -163.79184 280.93361
2300.0000 65 0 -163.92191 2.16978 1.70749 -164.14639 262.48163
2305.0000 65 0 -163.79369 2.00849 1.73924 -163.63309 290.65824
2310.0000 65 0 -163.44090 2.57964 1.73022 -163.77889 286.27141
2315.0000 65 0 -163.29309 2.19642 1.74599 -163.52386 301.73990
2320.0000 65 0 -162.68611 3.37698 1.77485 -163.05744 327.34484
2325.0000 65 0 -163.15282 2.69748 1.76984 -163.13831 326.94296
2330.0000 65 0 -162.98356 2.58246 1.77168 -163.10864 323.53977
2335.0000 65 0 -163.41465 2.51345 1.78105 -162.95712 327.33573
2340.0000 65 0 -163.33152 2.58252 1.75436 -163.38858 307.87723
2345.0000 65 0 -162.47965 2.85225 1.78415 -162.90705 335.67204
2350.0000 65 0 -163.18786 2.62217 1.77772 -163.01092 324.54733
2355.0000 65 0 -163.08487 3.04671 1.77275 -163.09128 322.25938
2360.0000 65 0 -163.28081 2.38351 1.75481 -163.38137 309.10052
2365.0000 65 0 -163.42921 2.45749 1.74700 -163.50760 303.16355
2370.0000 65 0 -163.43237 2.48071 1.75764 -163.33564 310.13524
2375.0000 65 0 -163.33271 2.22281 1.75514 -163.37599 299.50443
2380.0000 65 0 -163.57630 2.69194 1.76806 -163.16715 318.11914
2385.0000 65 0 -163.57389 2.00849 1.73727 -163.66482 293.91833
2390.0000 65 0 -163.48000 2.62192 1.73667 -163.67464 291.60105
2395.0000 65 0 -164.10360 2.59390 1.72034 -163.93851 283.39216
2400.0000 65 0 -163.17845 2.49083 1.73300 -163.73387 294.91582
2405.0000 65 0 -163.02552 2.58703 1.77634 -163.03324 327.90054
2410.0000 65 0 -163.75532 2.30538 1.73486 -163.70390 295.00887
2415.0000 65 0 -163.72919 2.25174 1.72462 -163.86934 288.52351
2420.0000 65 0 -163.40424 2.57289 1.74289 -163.57401 301.29393
2425.0000 65 0 -163.43657 2.56601 1.75170 -163.43161 305.70681
2430.0000 65 0 -163.18241 2.52923 1.76826 -163.16397 326.53092
2435.0000 65 0 -163.32894 2.71545 1.76797 -163.16858 321.72391
2440.0000 65 0 -163.26250 2.51779 1.75273 -163.41501 310.54933
2445.0000 65 0 -163.35933 2.62851 1.75927 -163.30925 317.28209
2450.0000 65 0 -163.24590 2.82198 1.74578 -163.52739 303.50753
2455.0000 65 0 -163.27959 2.99680 1.75266 -163.41607 312.60207
2460.0000 65 0 -163.34986 2.32794 1.77362 -163.07720 336.05226
2465.0000 65 0 -163.23041 2.49254 1.75249 -163.41881 315.17681
2470.0000 65 0 -163.52914 2.09180 1.74692 -163.50884 301.76643
2475.0000 65 0 -163.72956 2.85550 1.73895 -163.63774 298.39016
2480.0000 65 0 -163.57359 2.71162 1.73276 -163.73782 290.01421
2485.0000 65 0 -163.00659 2.62111 1.77152 -163.11125 328.94135
2490.0000 65 0 -163.42964 2.52433 1.76217 -163.26240 315.46154
2495.0000 65 0 -163.44497 2.44805 1.74509 -163.53839 300.83426
2500.0000 65 0 -163.73078 2.53678 1.75269 -163.41562 318.63771
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68358 -0.93526 -0.35606
force_rgl> df(natom) 0.00000 0.00000 0.00000
2505.0000 66 0 -163.42604 3.63188 1.92773 -163.21703 342.91822
2510.0000 66 0 -165.15085 2.98418 1.84732 -164.53030 381.02978
2515.0000 66 0 -165.47844 2.55144 1.78362 -165.57056 323.82328
2520.0000 66 0 -165.69817 2.93104 1.77313 -165.74192 309.00129
2525.0000 66 0 -165.47750 2.57496 1.77402 -165.72743 318.26374
2530.0000 66 0 -165.85860 2.44411 1.78841 -165.49241 330.66936
2535.0000 66 0 -165.49101 2.97834 1.77800 -165.66241 321.01822
2540.0000 66 0 -165.98222 2.41592 1.77433 -165.72229 320.30137
2545.0000 66 0 -166.28164 2.28992 1.74678 -166.17224 299.10274
2550.0000 66 0 -165.55568 2.68702 1.76789 -165.82750 313.58765
2555.0000 66 0 -164.89700 3.00656 1.80116 -165.28410 341.01902
2560.0000 66 0 -165.22395 3.21061 1.81351 -165.08239 349.97659
2565.0000 66 0 -165.61369 2.70555 1.79385 -165.40351 336.76706
2570.0000 66 0 -165.88289 2.79582 1.76445 -165.88372 305.12929
2575.0000 66 0 -165.82778 2.52325 1.76112 -165.93808 307.81555
2580.0000 66 0 -166.32775 2.30554 1.77270 -165.74887 314.68764
2585.0000 66 0 -166.01496 2.76082 1.74620 -166.18165 294.18443
2590.0000 66 0 -165.83520 2.60614 1.77116 -165.77411 313.12657
2595.0000 66 0 -165.96727 2.80987 1.76533 -165.86935 309.27051
2600.0000 66 0 -166.71300 2.07853 1.74185 -166.25278 288.92359
2605.0000 66 0 -166.64795 2.39574 1.71222 -166.73665 264.67130
2610.0000 66 0 -165.70282 2.61611 1.75963 -165.96232 303.17521
2615.0000 66 0 -165.87315 2.75491 1.75473 -166.04239 302.46333
2620.0000 66 0 -166.19422 2.56988 1.73926 -166.29502 286.74379
2625.0000 66 0 -165.93973 3.01082 1.73191 -166.41511 279.38805
2630.0000 66 0 -165.92880 2.42020 1.76265 -165.91301 305.55892
2635.0000 66 0 -165.88129 2.52056 1.76225 -165.91964 308.47174
2640.0000 66 0 -165.75639 2.76804 1.75758 -165.99579 305.21572
2645.0000 66 0 -166.27029 2.41635 1.75900 -165.97274 304.91001
2650.0000 66 0 -165.66744 2.72157 1.77369 -165.73281 312.14533
2655.0000 66 0 -166.73780 2.38485 1.75277 -166.07448 299.51585
2660.0000 66 0 -166.30209 2.48800 1.72942 -166.45583 276.43365
2665.0000 66 0 -166.51650 2.45080 1.73229 -166.40891 284.17461
2670.0000 66 0 -166.09767 2.38809 1.74168 -166.25550 291.44350
2675.0000 66 0 -165.76261 2.69147 1.77128 -165.77214 309.53658
2680.0000 66 0 -165.97971 2.72373 1.75676 -166.00933 308.23445
2685.0000 66 0 -165.93451 2.84970 1.75728 -166.00079 307.68325
2690.0000 66 0 -166.08344 2.42341 1.75843 -165.98194 306.47812
2695.0000 66 0 -166.19154 2.53539 1.74416 -166.21498 294.14134
2700.0000 66 0 -166.53334 2.27297 1.74614 -166.18277 293.94839
2705.0000 66 0 -165.92123 2.31658 1.73642 -166.34142 284.53919
2710.0000 66 0 -166.34750 2.58492 1.74300 -166.23402 292.60957
2715.0000 66 0 -166.30351 2.27772 1.75371 -166.05910 303.70471
2720.0000 66 0 -167.05006 2.26158 1.73367 -166.38641 280.55473
2725.0000 66 0 -166.57759 2.49883 1.70575 -166.84239 258.55451
2730.0000 66 0 -166.35748 2.38553 1.74261 -166.24040 286.77643
2735.0000 66 0 -166.78367 2.08784 1.71261 -166.73023 262.53076
2740.0000 66 0 -166.81721 2.07423 1.69738 -166.97909 250.60389
2745.0000 66 0 -166.36801 2.30086 1.72055 -166.60061 271.24679
2750.0000 66 0 -166.92724 2.24970 1.72202 -166.57661 274.48594
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84200 1.18243 1.73420
force_rgl> df(natom) 0.00000 0.00000 0.00000
2755.0000 67 0 -166.74875 3.77052 1.87696 -166.68730 282.65475
2760.0000 67 0 -167.27597 3.22267 1.85908 -166.98224 378.81531
2765.0000 67 0 -168.50239 2.52976 1.79300 -168.07230 321.59512
2770.0000 67 0 -168.40319 2.54118 1.78144 -168.26306 307.84544
2775.0000 67 0 -168.33465 2.54853 1.77675 -168.34048 306.21299
2780.0000 67 0 -168.66924 2.41134 1.75753 -168.65746 289.12521
2785.0000 67 0 -168.34906 2.72281 1.77269 -168.40736 303.11997
2790.0000 67 0 -168.55545 2.62813 1.77693 -168.33746 313.56050
2795.0000 67 0 -168.83770 2.30269 1.75438 -168.70950 284.27432
2800.0000 67 0 -168.44360 2.50852 1.77119 -168.43215 300.24702
2805.0000 67 0 -168.83096 2.49274 1.73845 -168.97230 271.30781
2810.0000 67 0 -167.55711 3.12707 1.79675 -168.01048 324.12058
2815.0000 67 0 -167.74778 2.91157 1.82355 -167.56849 351.23516
2820.0000 67 0 -168.26993 2.55463 1.79135 -168.09957 322.31163
2825.0000 67 0 -168.28889 2.54588 1.79058 -168.11233 320.80605
2830.0000 67 0 -168.40418 2.49307 1.77381 -168.38890 300.71045
2835.0000 67 0 -168.16116 2.52209 1.78125 -168.26625 314.33033
2840.0000 67 0 -167.59211 2.90494 1.80334 -167.90171 330.74901
2845.0000 67 0 -168.15586 2.52493 1.78534 -168.19873 314.52703
2850.0000 67 0 -168.07370 2.67455 1.79545 -168.03189 321.26384
2855.0000 67 0 -168.57295 2.75562 1.77455 -168.37668 307.29032
2860.0000 67 0 -168.77071 2.73431 1.75019 -168.77858 285.16559
2865.0000 67 0 -168.62996 2.68583 1.75623 -168.67893 286.88924
2870.0000 67 0 -168.34365 2.35212 1.76548 -168.52637 294.38978
2875.0000 67 0 -167.98445 2.94900 1.78404 -168.22012 315.66400
2880.0000 67 0 -168.36457 2.68712 1.79243 -168.08176 317.03966
2885.0000 67 0 -168.78927 2.52236 1.76557 -168.52485 297.60362
2890.0000 67 0 -168.90886 1.99937 1.74396 -168.88129 277.17895
2895.0000 67 0 -168.94722 2.38537 1.75091 -168.76670 282.96474
2900.0000 67 0 -168.64489 2.36811 1.74343 -168.89014 277.29894
2905.0000 67 0 -168.46004 2.70743 1.77264 -168.40828 301.19106
2910.0000 67 0 -168.40509 3.06167 1.78361 -168.22725 311.76210
2915.0000 67 0 -168.55256 2.81817 1.77401 -168.38567 318.77213
2920.0000 67 0 -168.71673 2.62197 1.75057 -168.77221 303.61889
2925.0000 67 0 -168.85023 2.45485 1.75286 -168.73447 302.02939
2930.0000 67 0 -168.58445 2.88180 1.75403 -168.71529 305.55228
2935.0000 67 0 -168.77376 2.50210 1.76404 -168.55008 309.42654
2940.0000 67 0 -168.54211 2.48308 1.75059 -168.77193 302.06019
2945.0000 67 0 -168.76020 2.42769 1.76935 -168.46245 313.26158
2950.0000 67 0 -169.13745 2.80357 1.73595 -169.01344 286.85175
2955.0000 67 0 -168.47246 2.82898 1.74717 -168.82842 296.11479
2960.0000 67 0 -168.47993 2.58920 1.77983 -168.28962 320.52578
2965.0000 67 0 -168.87057 2.62261 1.76743 -168.49425 313.54521
2970.0000 67 0 -169.26900 2.45161 1.75369 -168.72082 302.98865
2975.0000 67 0 -168.24459 2.83217 1.74150 -168.92188 293.97477
2980.0000 67 0 -168.94595 2.80332 1.75477 -168.70295 308.55866
2985.0000 67 0 -168.84879 2.71133 1.74212 -168.91172 287.47029
2990.0000 67 0 -168.67873 2.41314 1.74563 -168.85385 297.53554
2995.0000 67 0 -169.29038 2.19075 1.73209 -169.07716 285.47854
3000.0000 67 0 -169.02640 2.77833 1.71921 -169.28956 277.06498
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17112 -0.01566 -0.96382
force_rgl> df(natom) 0.00000 0.00000 0.00000
3005.0000 68 0 -168.84239 3.52078 1.91730 -168.65795 322.55772
3010.0000 68 0 -170.86553 2.89866 1.82618 -170.17599 352.39698
3015.0000 68 0 -171.02185 2.86789 1.77979 -170.94890 323.62752
3020.0000 68 0 -170.93967 3.00616 1.76873 -171.13319 308.43850
3025.0000 68 0 -171.30034 2.84014 1.76456 -171.20253 303.87854
3030.0000 68 0 -171.27565 2.37907 1.77253 -171.06988 313.47027
3035.0000 68 0 -171.13699 2.93650 1.77077 -171.09914 308.66510
3040.0000 68 0 -171.60015 2.44761 1.75239 -171.40534 296.45644
3045.0000 68 0 -171.69806 2.38578 1.74060 -171.60178 286.00121
3050.0000 68 0 -171.36758 2.50502 1.75299 -171.39536 291.76814
3055.0000 68 0 -171.37967 2.44817 1.77406 -171.04432 314.19416
3060.0000 68 0 -171.39659 2.49335 1.75662 -171.33491 297.90119
3065.0000 68 0 -171.22402 2.17581 1.75486 -171.36415 290.06380
3070.0000 68 0 -170.84682 3.19818 1.75822 -171.30817 298.81836
3075.0000 68 0 -170.33134 2.69399 1.80165 -170.58469 337.99991
3080.0000 68 0 -170.89054 2.81885 1.78741 -170.82186 324.33117
3085.0000 68 0 -170.92100 2.62975 1.77898 -170.96228 321.95116
3090.0000 68 0 -171.45883 2.22528 1.77773 -170.98317 318.60179
3095.0000 68 0 -171.10801 2.42547 1.75795 -171.31277 297.20258
3100.0000 68 0 -170.63051 3.00025 1.78242 -170.90502 321.67397
3105.0000 68 0 -171.10765 2.67026 1.78791 -170.81355 326.43626
3110.0000 68 0 -171.21841 2.16477 1.77063 -171.10149 311.23936
3115.0000 68 0 -170.75243 3.04329 1.77342 -171.05494 309.59033
3120.0000 68 0 -171.43386 2.67845 1.75356 -171.38587 292.85056
3125.0000 68 0 -171.41699 2.32312 1.75661 -171.33504 297.36689
3130.0000 68 0 -171.64444 2.53868 1.74552 -171.51981 289.07101
3135.0000 68 0 -171.36689 2.54405 1.75010 -171.44349 291.18619
3140.0000 68 0 -171.22567 2.75449 1.75488 -171.36380 295.81168
3145.0000 68 0 -171.26681 2.47777 1.77023 -171.10820 308.66670
3150.0000 68 0 -171.02555 2.58870 1.75573 -171.34968 300.27778
3155.0000 68 0 -170.91500 2.80364 1.76600 -171.17856 306.93687
3160.0000 68 0 -171.22701 2.39496 1.77149 -171.08706 310.40747
3165.0000 68 0 -170.88113 2.70582 1.76855 -171.13617 307.72881
3170.0000 68 0 -171.32127 2.55209 1.76529 -171.19041 308.46097
3175.0000 68 0 -171.43300 2.80268 1.75589 -171.34702 296.03663
3180.0000 68 0 -170.71899 3.20702 1.76732 -171.15659 308.48042
3185.0000 68 0 -170.63883 3.38018 1.79503 -170.69504 331.65109
3190.0000 68 0 -170.81459 3.04646 1.81112 -170.42693 344.36342
3195.0000 68 0 -170.48644 2.42313 1.77526 -171.02437 313.63046
3200.0000 68 0 -170.49544 3.36146 1.79715 -170.65967 334.30768
3205.0000 68 0 -171.23719 2.53179 1.78422 -170.87506 326.10705
3210.0000 68 0 -170.80484 2.87087 1.79364 -170.71814 324.74273
3215.0000 68 0 -171.61035 2.47051 1.76958 -171.11895 306.68827
3220.0000 68 0 -171.31114 2.47338 1.75847 -171.30397 297.80615
3225.0000 68 0 -171.57539 2.33473 1.74047 -171.60386 283.33274
3230.0000 68 0 -170.98970 2.54833 1.76141 -171.25504 300.12114
3235.0000 68 0 -171.27159 2.83405 1.74745 -171.48764 292.85315
3240.0000 68 0 -171.00586 2.95928 1.77698 -170.99571 314.92861
3245.0000 68 0 -171.27942 2.58433 1.76444 -171.20460 302.99685
3250.0000 68 0 -171.63620 2.46955 1.75878 -171.29890 302.56500
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54617 -1.61753 -1.08026
force_rgl> df(natom) 0.00000 0.00000 0.00000
3255.0000 69 0 -171.00326 3.95323 1.91411 -171.34921 315.75565
3260.0000 69 0 -172.84574 2.94893 1.86189 -172.22773 370.04368
3265.0000 69 0 -173.18094 2.84487 1.82817 -172.79506 337.38425
3270.0000 69 0 -172.46567 3.12440 1.82069 -172.92080 330.87178
3275.0000 69 0 -172.30886 3.26583 1.86604 -172.15786 371.69223
3280.0000 69 0 -172.47861 3.08612 1.86478 -172.17907 366.40300
3285.0000 69 0 -173.14475 2.66311 1.83070 -172.75241 346.67991
3290.0000 69 0 -173.80023 2.83073 1.79950 -173.27729 325.96173
3295.0000 69 0 -173.98960 2.30511 1.77280 -173.72648 303.18030
3300.0000 69 0 -173.29470 2.89418 1.77126 -173.75231 302.32387
3305.0000 69 0 -173.64900 2.78642 1.77860 -173.62894 311.66590
3310.0000 69 0 -174.14671 2.64688 1.75270 -174.06460 289.65479
3315.0000 69 0 -173.66796 2.83886 1.77250 -173.73146 308.41462
3320.0000 69 0 -174.18427 2.19248 1.75995 -173.94258 300.34241
3325.0000 69 0 -173.89483 2.76453 1.76101 -173.92486 305.32966
3330.0000 69 0 -173.73505 2.91176 1.75541 -174.01908 297.10980
3335.0000 69 0 -173.49670 2.74024 1.78717 -173.48474 322.03470
3340.0000 69 0 -173.33309 2.88257 1.79723 -173.31540 334.71837
3345.0000 69 0 -173.43240 2.61724 1.78127 -173.58402 316.55022
3350.0000 69 0 -174.64130 2.28918 1.76806 -173.80612 301.48705
3355.0000 69 0 -174.11850 2.66603 1.74273 -174.23233 277.63366
3360.0000 69 0 -174.02444 2.59630 1.74696 -174.16121 281.14031
3365.0000 69 0 -174.28742 2.46647 1.73724 -174.32471 270.45454
3370.0000 69 0 -173.85205 2.57443 1.75860 -173.96535 291.51456
3375.0000 69 0 -173.64671 2.75167 1.76795 -173.80809 297.95046
3380.0000 69 0 -173.47503 2.55573 1.77465 -173.69527 301.40633
3385.0000 69 0 -173.32421 3.02684 1.78820 -173.46740 310.20033
3390.0000 69 0 -172.93988 2.90947 1.79810 -173.30077 324.64264
3395.0000 69 0 -173.79371 2.41894 1.78796 -173.47138 317.13979
3400.0000 69 0 -174.13049 2.68506 1.75782 -173.97842 291.36661
3405.0000 69 0 -174.66805 2.57480 1.73330 -174.39090 271.79902
3410.0000 69 0 -173.89253 2.59186 1.75256 -174.06688 287.41687
3415.0000 69 0 -173.53576 2.91740 1.77805 -173.63814 310.96243
3420.0000 69 0 -173.41596 2.86116 1.79452 -173.36107 323.87464
3425.0000 69 0 -173.46302 2.93576 1.79023 -173.43331 324.32610
3430.0000 69 0 -173.39494 2.68519 1.78654 -173.49526 317.73778
3435.0000 69 0 -173.40694 2.59643 1.80127 -173.24746 336.17973
3440.0000 69 0 -174.10437 2.41572 1.77548 -173.68140 314.41857
3445.0000 69 0 -174.24451 2.49499 1.74965 -174.11594 292.10284
3450.0000 69 0 -173.89739 2.72471 1.75000 -174.10997 296.41095
3455.0000 69 0 -174.10694 2.39813 1.75394 -174.04372 296.48592
3460.0000 69 0 -174.38045 2.40115 1.74886 -174.12924 288.48891
3465.0000 69 0 -173.70253 2.86521 1.75330 -174.05444 295.76939
3470.0000 69 0 -174.31812 2.63102 1.75940 -173.95185 303.23604
3475.0000 69 0 -174.44866 2.26472 1.74105 -174.26065 285.12576
3480.0000 69 0 -174.03745 2.31584 1.76218 -173.90508 307.14437
3485.0000 69 0 -173.72988 2.86135 1.76175 -173.91229 305.25565
3490.0000 69 0 -173.78434 2.64083 1.78310 -173.55319 328.59396
3495.0000 69 0 -173.77004 2.43715 1.76986 -173.77593 313.82494
3500.0000 69 0 -173.67026 2.46926 1.76362 -173.88085 304.37404
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22730 1.93679 0.16581
force_rgl> df(natom) 0.00000 0.00000 0.00000
3505.0000 70 0 -174.15682 3.66131 1.93186 -173.68733 329.45883
3510.0000 70 0 -175.53671 3.46837 1.86623 -174.80209 383.55660
3515.0000 70 0 -176.38485 2.63783 1.79376 -176.03300 317.02901
3520.0000 70 0 -175.54878 3.25621 1.79884 -175.94673 329.22901
3525.0000 70 0 -176.60213 2.59793 1.78839 -176.12419 319.87249
3530.0000 70 0 -176.41423 3.11986 1.76071 -176.59444 296.62748
3535.0000 70 0 -175.64090 3.06566 1.77487 -176.35388 293.55707
3540.0000 70 0 -175.84633 2.81185 1.79735 -175.97199 320.61804
3545.0000 70 0 -176.27529 2.78343 1.79365 -176.03492 325.61241
3550.0000 70 0 -176.58553 2.62214 1.76182 -176.57553 303.57767
3555.0000 70 0 -177.06056 2.35807 1.74521 -176.85764 284.70312
3560.0000 70 0 -176.56360 2.54461 1.75093 -176.76049 294.01351
3565.0000 70 0 -176.64812 2.80884 1.76210 -176.57082 298.22490
3570.0000 70 0 -177.13382 2.45891 1.74995 -176.77716 279.70158
3575.0000 70 0 -177.46031 2.22492 1.71072 -177.44340 252.60163
3580.0000 70 0 -176.72041 2.48620 1.72188 -177.25388 261.30926
3585.0000 70 0 -175.63901 3.01311 1.78578 -176.16853 317.99513
3590.0000 70 0 -176.30383 2.64045 1.79545 -176.00438 326.05288
3595.0000 70 0 -176.51570 2.62191 1.77225 -176.39826 303.94299
3600.0000 70 0 -175.63636 2.87878 1.79542 -176.00480 328.39391
3605.0000 70 0 -176.29681 3.17196 1.76946 -176.44582 304.59017
3610.0000 70 0 -176.59052 2.53752 1.76470 -176.52662 297.38747
3615.0000 70 0 -176.39635 2.41892 1.76287 -176.55761 292.60614
3620.0000 70 0 -176.33938 2.45616 1.75607 -176.67312 289.58228
3625.0000 70 0 -175.83543 2.81557 1.78345 -176.20820 315.43389
3630.0000 70 0 -175.84970 3.01391 1.80660 -175.81494 337.49736
3635.0000 70 0 -175.90844 3.17353 1.81460 -175.67906 339.10481
3640.0000 70 0 -175.92526 3.07921 1.79323 -176.04207 320.04099
3645.0000 70 0 -176.14592 2.83239 1.78584 -176.16758 314.15350
3650.0000 70 0 -176.96346 2.48381 1.74913 -176.79106 285.62740
3655.0000 70 0 -176.32942 2.66699 1.75419 -176.70506 290.06063
3660.0000 70 0 -176.61107 2.73213 1.77463 -176.35795 311.54113
3665.0000 70 0 -176.74728 2.61951 1.74446 -176.87028 282.69848
3670.0000 70 0 -176.19437 2.88441 1.75806 -176.63934 295.10216
3675.0000 70 0 -176.21563 3.08395 1.78933 -176.10826 322.15406
3680.0000 70 0 -176.43651 2.71825 1.76805 -176.46969 304.80777
3685.0000 70 0 -176.01816 3.01616 1.76691 -176.48897 301.73534
3690.0000 70 0 -176.02996 2.97241 1.80288 -175.87810 339.84049
3695.0000 70 0 -175.84299 3.16195 1.79348 -176.03768 325.80405
3700.0000 70 0 -176.67843 2.32860 1.76554 -176.51233 298.78802
3705.0000 70 0 -175.73271 2.94697 1.78352 -176.20684 316.54151
3710.0000 70 0 -176.15039 2.75801 1.78647 -176.15674 319.33383
3715.0000 70 0 -176.18673 2.97839 1.79639 -175.98827 322.81496
3720.0000 70 0 -176.86642 2.51828 1.77031 -176.43126 308.25483
3725.0000 70 0 -176.85357 2.20542 1.72978 -177.11974 271.06606
3730.0000 70 0 -176.07187 2.99973 1.76548 -176.51331 299.45986
3735.0000 70 0 -176.54769 2.45972 1.76533 -176.51584 302.03927
3740.0000 70 0 -176.59462 2.57565 1.75357 -176.71569 292.58332
3745.0000 70 0 -176.68726 2.30218 1.75673 -176.66202 294.12669
3750.0000 70 0 -176.80197 2.66454 1.75252 -176.73344 291.07134
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87054 -0.45258 -0.47067
force_rgl> df(natom) 0.00000 0.00000 0.00000
3755.0000 71 0 -176.24910 3.05720 1.92433 -176.45474 310.56598
3760.0000 71 0 -177.94238 3.03377 1.90194 -176.83863 398.52792
3765.0000 71 0 -178.86226 2.85499 1.80809 -178.44775 323.92972
3770.0000 71 0 -179.32663 2.61741 1.77902 -178.94633 304.93650
3775.0000 71 0 -178.92547 2.28281 1.77032 -179.09541 293.44224
3780.0000 71 0 -178.72416 2.39188 1.80137 -178.56302 324.47554
3785.0000 71 0 -179.01189 2.60290 1.79591 -178.65673 321.22823
3790.0000 71 0 -178.93977 2.82729 1.76989 -179.10282 301.84279
3795.0000 71 0 -179.04935 2.59654 1.78276 -178.88221 312.95261
3800.0000 71 0 -177.94370 3.50168 1.81782 -178.28099 343.10320
3805.0000 71 0 -178.04773 2.61315 1.84093 -177.88471 356.65520
3810.0000 71 0 -179.61291 2.42194 1.79239 -178.71709 317.79410
3815.0000 71 0 -179.16737 2.48913 1.74255 -179.57165 269.52431
3820.0000 71 0 -179.30076 2.82711 1.77929 -178.94166 303.36870
3825.0000 71 0 -179.08517 2.89103 1.77130 -179.07860 298.58635
3830.0000 71 0 -178.79292 3.06833 1.78965 -178.76399 314.37201
3835.0000 71 0 -179.05848 3.01925 1.78112 -178.91029 305.69898
3840.0000 71 0 -178.39524 3.20497 1.78078 -178.91616 303.68111
3845.0000 71 0 -178.68219 2.87427 1.79360 -178.69629 316.69968
3850.0000 71 0 -179.06231 2.68924 1.75776 -179.31083 284.25507
3855.0000 71 0 -178.98282 2.40708 1.78404 -178.86014 310.70076
3860.0000 71 0 -178.67424 3.25315 1.79112 -178.73881 317.43229
3865.0000 71 0 -178.85970 2.63398 1.77561 -179.00475 299.07548
3870.0000 71 0 -179.08455 2.82556 1.77833 -178.95807 303.76845
3875.0000 71 0 -179.16908 2.37166 1.76240 -179.23120 293.04963
3880.0000 71 0 -178.32770 3.12961 1.78332 -178.87248 308.47807
3885.0000 71 0 -178.80403 2.82960 1.78731 -178.80411 314.13235
3890.0000 71 0 -179.12146 2.73969 1.78063 -178.91865 302.03467
3895.0000 71 0 -179.13571 2.70694 1.77128 -179.07891 298.57005
3900.0000 71 0 -178.64065 2.55759 1.78154 -178.90306 308.75248
3905.0000 71 0 -178.56697 3.00033 1.80445 -178.51016 324.73872
3910.0000 71 0 -178.50271 2.78954 1.81296 -178.36438 325.57284
3915.0000 71 0 -178.69704 2.79615 1.78618 -178.82358 303.43712
3920.0000 71 0 -178.98522 2.77715 1.78552 -178.83488 306.42383
3925.0000 71 0 -178.49364 2.81264 1.77983 -178.93239 305.15392
3930.0000 71 0 -178.80541 2.69668 1.81050 -178.40657 329.62581
3935.0000 71 0 -179.15264 2.70882 1.76568 -179.17501 291.50684
3940.0000 71 0 -179.35605 2.84891 1.75430 -179.37005 282.94749
3945.0000 71 0 -178.73034 2.89988 1.76356 -179.21134 290.57782
3950.0000 71 0 -178.88673 3.14220 1.78589 -178.82839 309.17070
3955.0000 71 0 -178.97165 2.59599 1.77241 -179.05957 295.79581
3960.0000 71 0 -178.99962 2.49582 1.76605 -179.16865 287.94578
3965.0000 71 0 -178.96739 2.69388 1.76970 -179.10614 294.48915
3970.0000 71 0 -177.85609 3.18701 1.79753 -178.62894 321.79699
3975.0000 71 0 -178.95964 2.78448 1.80621 -178.48008 328.50611
3980.0000 71 0 -178.53861 2.74415 1.79530 -178.66710 325.19344
3985.0000 71 0 -177.82412 3.38179 1.81562 -178.31871 338.82196
3990.0000 71 0 -178.15222 3.21100 1.83360 -178.01036 354.65671
3995.0000 71 0 -178.78238 3.22015 1.82167 -178.21492 348.24279
4000.0000 71 0 -178.93926 2.71504 1.78047 -178.92140 313.20445
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21909 1.80799 -1.10286
force_rgl> df(natom) 0.00000 0.00000 0.00000
4005.0000 72 0 -179.68239 3.76483 1.91912 -179.18578 306.76232
4010.0000 72 0 -181.43065 2.63355 1.84879 -180.40301 356.04029
4015.0000 72 0 -181.44732 2.72986 1.77456 -181.68774 297.46232
4020.0000 72 0 -181.61985 2.52863 1.78427 -181.51965 303.93322
4025.0000 72 0 -181.30993 3.02530 1.77891 -181.61243 300.20311
4030.0000 72 0 -181.55410 2.85955 1.79512 -181.33194 317.54053
4035.0000 72 0 -182.09476 2.92980 1.76433 -181.86467 290.14746
4040.0000 72 0 -182.23050 2.27523 1.73689 -182.33972 264.93716
4045.0000 72 0 -181.62078 2.69776 1.75140 -182.08851 276.66540
4050.0000 72 0 -181.80187 2.47919 1.77659 -181.65263 299.68508
4055.0000 72 0 -181.54458 2.81895 1.78624 -181.48555 304.57687
4060.0000 72 0 -181.07892 3.30188 1.79303 -181.36811 312.15893
4065.0000 72 0 -181.42582 2.98442 1.79546 -181.32597 314.48315
4070.0000 72 0 -182.26638 2.41090 1.76348 -181.87944 288.77432
4075.0000 72 0 -181.88386 2.77327 1.76475 -181.85740 290.77541
4080.0000 72 0 -181.49694 3.03300 1.80640 -181.13656 328.41075
4085.0000 72 0 -181.27450 3.05153 1.78016 -181.59070 302.26548
4090.0000 72 0 -181.30437 2.86194 1.80125 -181.22573 320.96810
4095.0000 72 0 -181.75296 2.41718 1.78964 -181.42663 312.35745
4100.0000 72 0 -181.69944 2.46942 1.77049 -181.75813 292.28368
4105.0000 72 0 -181.51139 2.80157 1.77727 -181.64078 300.71379
4110.0000 72 0 -182.25079 2.23739 1.77884 -181.61356 297.95919
4115.0000 72 0 -181.85594 2.51652 1.75667 -181.99724 277.37456
4120.0000 72 0 -180.96879 3.09621 1.79442 -181.34398 314.86511
4125.0000 72 0 -181.75170 3.00427 1.80005 -181.24648 319.39202
4130.0000 72 0 -180.96046 3.00222 1.79866 -181.27065 317.38702
4135.0000 72 0 -181.78884 2.67860 1.79105 -181.40231 312.16344
4140.0000 72 0 -181.57082 2.51595 1.79809 -181.28054 318.42563
4145.0000 72 0 -181.86865 2.58807 1.78309 -181.54002 305.11055
4150.0000 72 0 -181.70571 2.78349 1.77086 -181.75179 296.26535
4155.0000 72 0 -181.32548 3.08598 1.79005 -181.41956 310.25496
4160.0000 72 0 -181.39912 2.99737 1.78383 -181.52725 307.79868
4165.0000 72 0 -182.04707 2.36737 1.77714 -181.64307 300.20911
4170.0000 72 0 -181.21975 2.83244 1.77436 -181.69122 296.57014
4175.0000 72 0 -181.53591 2.54934 1.79951 -181.25580 318.61105
4180.0000 72 0 -181.86529 2.68364 1.77366 -181.70325 295.51004
4185.0000 72 0 -181.45774 2.59374 1.77178 -181.73577 294.60029
4190.0000 72 0 -181.63671 2.31621 1.77608 -181.66140 297.11511
4195.0000 72 0 -181.46491 2.69134 1.78911 -181.43581 313.55680
4200.0000 72 0 -181.56824 2.57293 1.79904 -181.26406 317.40283
4205.0000 72 0 -181.37305 2.59376 1.76672 -181.82342 289.36795
4210.0000 72 0 -181.63558 2.80999 1.79014 -181.41807 311.51525
4215.0000 72 0 -181.36483 2.71852 1.79137 -181.39683 314.34662
4220.0000 72 0 -181.68788 2.91207 1.78590 -181.49145 305.83053
4225.0000 72 0 -181.61056 2.92951 1.78193 -181.56019 308.30743
4230.0000 72 0 -181.63690 2.70634 1.76444 -181.86277 285.56747
4235.0000 72 0 -181.00612 2.69005 1.77895 -181.61171 296.28172
4240.0000 72 0 -181.44844 2.74132 1.80538 -181.15435 318.40681
4245.0000 72 0 -181.52466 2.49927 1.79009 -181.41891 309.34707
4250.0000 72 0 -181.72996 2.93009 1.76855 -181.79166 293.17395
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15468 -1.17824 0.89436
force_rgl> df(natom) 0.00000 0.00000 0.00000
4255.0000 73 0 -181.07517 3.90736 1.93739 -181.50987 327.43973
4260.0000 73 0 -182.53139 3.63777 1.90065 -182.15165 386.81950
4265.0000 73 0 -183.53327 3.47157 1.84399 -183.14123 362.82681
4270.0000 73 0 -184.36046 3.04795 1.81083 -183.72052 341.20335
4275.0000 73 0 -184.24492 2.88526 1.78865 -184.10785 321.40861
4280.0000 73 0 -184.25002 2.60820 1.77711 -184.30949 314.45327
4285.0000 73 0 -184.62920 2.67961 1.76611 -184.50166 302.99353
4290.0000 73 0 -184.25540 3.04521 1.78247 -184.21586 319.28375
4295.0000 73 0 -184.16174 3.09390 1.77683 -184.31429 313.03553
4300.0000 73 0 -184.30353 2.61362 1.78323 -184.20258 320.46639
4305.0000 73 0 -184.34749 2.76892 1.79580 -183.98307 330.48891
4310.0000 73 0 -183.66188 3.32287 1.78901 -184.10164 323.50223
4315.0000 73 0 -184.51984 3.03854 1.79068 -184.07247 321.85781
4320.0000 73 0 -184.45005 2.79380 1.76596 -184.50415 300.56530
4325.0000 73 0 -183.85109 3.36660 1.78339 -184.19966 318.33219
4330.0000 73 0 -184.41619 2.65223 1.80271 -183.86225 332.99652
4335.0000 73 0 -184.06291 2.66839 1.76970 -184.43892 304.88747
4340.0000 73 0 -185.12383 3.09196 1.77336 -184.37500 310.34015
4345.0000 73 0 -185.10107 2.53546 1.73914 -184.97258 282.58258
4350.0000 73 0 -185.73807 2.08700 1.72072 -185.29438 264.89702
4355.0000 73 0 -185.07966 2.68094 1.72494 -185.22063 268.37055
4360.0000 73 0 -184.03708 3.22988 1.75281 -184.73388 293.13847
4365.0000 73 0 -183.96452 3.54257 1.78547 -184.16339 318.85044
4370.0000 73 0 -183.68752 3.10570 1.79859 -183.93430 334.87575
4375.0000 73 0 -184.09155 3.11295 1.79318 -184.02882 328.67870
4380.0000 73 0 -184.57868 2.94299 1.76110 -184.58910 301.36167
4385.0000 73 0 -184.70091 2.95667 1.75346 -184.72250 293.81813
4390.0000 73 0 -184.65555 2.52485 1.76351 -184.54692 305.13436
4395.0000 73 0 -184.92914 2.76388 1.74201 -184.92258 285.75551
4400.0000 73 0 -184.86775 2.80093 1.75777 -184.64729 299.18562
4405.0000 73 0 -185.47004 2.42683 1.73261 -185.08673 273.59085
4410.0000 73 0 -185.35010 2.52496 1.72537 -185.21313 268.68186
4415.0000 73 0 -185.27443 2.28509 1.72660 -185.19173 272.07782
4420.0000 73 0 -184.86131 2.61552 1.73452 -185.05343 276.51372
4425.0000 73 0 -185.36895 2.75384 1.71839 -185.33502 262.91480
4430.0000 73 0 -184.55706 2.47040 1.75267 -184.73642 288.83608
4435.0000 73 0 -185.07706 2.75036 1.73867 -184.98086 285.45624
4440.0000 73 0 -184.97663 2.85410 1.74839 -184.81110 289.62526
4445.0000 73 0 -184.89405 2.42968 1.74128 -184.93536 283.58824
4450.0000 73 0 -184.42738 2.91682 1.74333 -184.89943 284.25831
4455.0000 73 0 -185.29666 2.75394 1.73303 -185.07943 276.19980
4460.0000 73 0 -184.20969 2.91847 1.75296 -184.73126 296.01828
4465.0000 73 0 -184.22433 2.87201 1.76254 -184.56394 303.23534
4470.0000 73 0 -184.59072 2.56852 1.77508 -184.34485 313.29189
4475.0000 73 0 -184.12323 2.79119 1.77006 -184.43259 308.85222
4480.0000 73 0 -184.83409 2.67352 1.76154 -184.58132 299.51914
4485.0000 73 0 -184.64067 2.84655 1.75376 -184.71732 292.41687
4490.0000 73 0 -184.70607 2.64427 1.77078 -184.41996 311.52840
4495.0000 73 0 -184.22463 2.84756 1.75396 -184.71376 295.08361
4500.0000 73 0 -184.70292 2.55421 1.77616 -184.32595 312.00676
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07493 -0.17079 -0.40678
force_rgl> df(natom) 0.00000 0.00000 0.00000
4505.0000 74 0 -184.92728 3.70400 1.92286 -184.40766 322.77469
4510.0000 74 0 -187.03673 2.91075 1.82373 -186.15493 333.05593
4515.0000 74 0 -187.08915 2.71094 1.76522 -187.18611 291.38352
4520.0000 74 0 -187.10760 2.90474 1.76636 -187.16605 291.56189
4525.0000 74 0 -187.32908 2.78231 1.77476 -187.01794 297.50664
4530.0000 74 0 -187.48617 2.26911 1.76275 -187.22968 289.10091
4535.0000 74 0 -186.51485 2.86423 1.77078 -187.08822 294.51285
4540.0000 74 0 -186.41547 3.13645 1.80460 -186.49213 324.78669
4545.0000 74 0 -186.03312 3.50381 1.80240 -186.53092 321.89518
4550.0000 74 0 -186.82856 2.26941 1.79793 -186.60967 319.80066
4555.0000 74 0 -186.97343 3.33322 1.80334 -186.51431 329.32084
4560.0000 74 0 -186.78166 2.99498 1.77499 -187.01402 305.97723
4565.0000 74 0 -186.92723 2.74333 1.77536 -187.00739 305.13153
4570.0000 74 0 -187.24535 2.84002 1.77337 -187.04251 304.77625
4575.0000 74 0 -186.94511 2.64831 1.77050 -187.09305 300.44141
4580.0000 74 0 -187.40443 2.76810 1.75473 -187.37100 285.92434
4585.0000 74 0 -186.98285 2.85730 1.77350 -187.04021 313.41293
4590.0000 74 0 -186.90766 3.13940 1.78001 -186.92554 317.53404
4595.0000 74 0 -186.33464 3.18730 1.77913 -186.94109 320.38053
4600.0000 74 0 -186.82142 3.17234 1.80164 -186.54422 341.89976
4605.0000 74 0 -187.96138 2.42749 1.75438 -187.37727 310.13832
4610.0000 74 0 -187.37330 2.87809 1.73870 -187.65357 297.19837
4615.0000 74 0 -187.56147 2.70064 1.74305 -187.57690 299.96641
4620.0000 74 0 -187.60442 2.94950 1.73405 -187.73564 291.47598
4625.0000 74 0 -186.83271 3.37202 1.77388 -187.03358 326.04478
4630.0000 74 0 -187.27508 3.30493 1.77156 -187.07452 325.83670
4635.0000 74 0 -187.55939 2.88555 1.74565 -187.53110 299.84551
4640.0000 74 0 -187.44483 2.63179 1.74260 -187.58484 299.69753
4645.0000 74 0 -186.81132 3.02308 1.77190 -187.06839 324.10945
4650.0000 74 0 -187.81839 2.48549 1.75452 -187.37477 309.79249
4655.0000 74 0 -187.35920 2.72475 1.73605 -187.70025 293.25886
4660.0000 74 0 -187.04113 2.77448 1.74748 -187.49891 305.64192
4665.0000 74 0 -187.01042 3.01876 1.76996 -187.10268 323.58400
4670.0000 74 0 -186.53873 3.49119 1.78623 -186.81579 335.05375
4675.0000 74 0 -187.81221 2.86009 1.77453 -187.02210 324.37281
4680.0000 74 0 -187.62862 3.10635 1.73963 -187.63719 295.46251
4685.0000 74 0 -187.79845 2.75336 1.72706 -187.85887 287.00809
4690.0000 74 0 -187.93270 2.42262 1.72697 -187.86034 284.48856
4695.0000 74 0 -187.80993 2.31342 1.72289 -187.93229 283.14638
4700.0000 74 0 -187.42146 2.96153 1.74205 -187.59454 298.71789
4705.0000 74 0 -187.39154 2.51382 1.74433 -187.55432 299.31075
4710.0000 74 0 -187.16610 3.44306 1.75288 -187.40364 306.71899
4715.0000 74 0 -187.14875 2.96269 1.76430 -187.20246 318.86197
4720.0000 74 0 -187.21239 3.09237 1.77554 -187.00421 328.20685
4725.0000 74 0 -187.14100 3.05374 1.76788 -187.13925 321.70890
4730.0000 74 0 -187.21661 2.82908 1.75186 -187.42168 306.91451
4735.0000 74 0 -187.90529 2.55268 1.75700 -187.33110 316.76549
4740.0000 74 0 -187.09579 3.21738 1.73928 -187.64344 296.43939
4745.0000 74 0 -187.23000 3.23639 1.79152 -186.72253 341.84905
4750.0000 74 0 -187.40056 2.90961 1.76136 -187.25415 305.93642
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63406 -0.93438 0.85909
force_rgl> df(natom) 0.00000 0.00000 0.00000
4755.0000 75 0 -187.67979 4.16865 1.91814 -187.13682 341.81171
4760.0000 75 0 -189.40706 3.30316 1.82155 -188.85466 365.52930
4765.0000 75 0 -189.54762 3.39963 1.78796 -189.45212 336.29862
4770.0000 75 0 -189.85678 3.02437 1.76413 -189.87587 313.51079
4775.0000 75 0 -189.65358 2.90261 1.78887 -189.43582 334.10004
4780.0000 75 0 -190.03070 2.78965 1.75406 -190.05491 303.21437
4785.0000 75 0 -190.10720 2.84586 1.75574 -190.02503 303.17186
4790.0000 75 0 -189.70634 3.04906 1.75678 -190.00656 306.28637
4795.0000 75 0 -189.96970 2.80053 1.77234 -189.72980 319.63206
4800.0000 75 0 -190.57468 2.42351 1.74555 -190.20638 299.90130
4805.0000 75 0 -190.03467 3.26504 1.72633 -190.54823 279.77794
4810.0000 75 0 -189.64707 3.14657 1.76820 -189.80344 314.99102
4815.0000 75 0 -190.58384 2.90520 1.73932 -190.31713 291.02657
4820.0000 75 0 -190.18216 2.86993 1.73565 -190.38235 290.13280
4825.0000 75 0 -189.23973 3.42946 1.77645 -189.65684 322.13620
4830.0000 75 0 -190.10791 2.78348 1.78596 -189.48758 331.20280
4835.0000 75 0 -189.98569 3.06779 1.74730 -190.17523 297.86676
4840.0000 75 0 -190.06670 2.55355 1.76152 -189.92224 312.46583
4845.0000 75 0 -189.63004 3.22738 1.75361 -190.06295 303.77246
4850.0000 75 0 -190.17058 3.11095 1.74305 -190.25085 294.12844
4855.0000 75 0 -190.19434 3.05915 1.75475 -190.04263 306.38413
4860.0000 75 0 -189.83801 3.14271 1.74258 -190.25908 294.97851
4865.0000 75 0 -190.18156 3.01844 1.73562 -190.38297 288.07459
4870.0000 75 0 -190.27099 2.86609 1.72850 -190.50962 283.06280
4875.0000 75 0 -190.47460 2.56417 1.75675 -190.00716 306.10337
4880.0000 75 0 -189.71912 3.46176 1.74635 -190.19205 297.70002
4885.0000 75 0 -190.40057 2.49117 1.76728 -189.81988 317.28893
4890.0000 75 0 -190.33390 2.84083 1.75206 -190.09050 304.08793
4895.0000 75 0 -189.85391 2.76419 1.73639 -190.36929 288.52561
4900.0000 75 0 -190.54916 2.75049 1.75675 -190.00713 311.69671
4905.0000 75 0 -190.61249 3.03138 1.74290 -190.25339 297.65231
4910.0000 75 0 -189.63016 3.00153 1.74637 -190.19182 296.20284
4915.0000 75 0 -189.95919 2.66298 1.75316 -190.07092 302.97298
4920.0000 75 0 -190.59545 2.77662 1.74465 -190.22236 296.32203
4925.0000 75 0 -190.49890 2.78150 1.72783 -190.52151 283.62758
4930.0000 75 0 -190.81986 2.45118 1.72960 -190.48998 283.77818
4935.0000 75 0 -190.55183 2.76387 1.72627 -190.54924 281.95205
4940.0000 75 0 -189.35744 3.08546 1.77401 -189.70013 320.80254
4945.0000 75 0 -189.66145 3.33654 1.78687 -189.47142 333.22420
4950.0000 75 0 -190.06941 2.85496 1.75385 -190.05864 302.90492
4955.0000 75 0 -189.35224 3.41249 1.76586 -189.84507 316.19868
4960.0000 75 0 -190.68161 2.47880 1.75694 -190.00379 307.97870
4965.0000 75 0 -189.87772 2.95425 1.73931 -190.31729 291.72916
4970.0000 75 0 -189.63177 2.89947 1.76015 -189.94659 309.94694
4975.0000 75 0 -189.91420 2.70850 1.74679 -190.18419 297.85757
4980.0000 75 0 -189.32592 3.30737 1.78516 -189.50180 333.30117
4985.0000 75 0 -189.58427 2.78351 1.79332 -189.35672 335.36381
4990.0000 75 0 -189.76184 2.99433 1.77851 -189.62008 317.58954
4995.0000 75 0 -190.28805 2.95396 1.74239 -190.26251 286.39394
5000.0000 75 0 -189.99728 3.42511 1.76590 -189.84450 317.89504
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35756 -0.51363 -2.29876
force_rgl> df(natom) 0.00000 0.00000 0.00000
5005.0000 76 0 -190.09233 4.35199 1.91271 -189.88171 331.62077
5010.0000 76 0 -191.71064 3.09265 1.83445 -191.28586 348.58191
5015.0000 76 0 -191.73917 2.90899 1.80607 -191.79514 326.60681
5020.0000 76 0 -191.82276 3.32695 1.78356 -192.19898 307.54821
5025.0000 76 0 -192.38008 3.11411 1.79496 -191.99440 318.01343
5030.0000 76 0 -192.14218 3.09040 1.78087 -192.24719 307.96745
5035.0000 76 0 -192.92583 2.83733 1.76583 -192.51705 299.57900
5040.0000 76 0 -192.40045 3.79156 1.75668 -192.68127 297.51679
5045.0000 76 0 -191.42857 3.38424 1.78205 -192.22612 324.96869
5050.0000 76 0 -192.02026 3.15865 1.80941 -191.73525 342.63144
5055.0000 76 0 -192.13365 2.99482 1.78604 -192.15454 322.38037
5060.0000 76 0 -192.29341 3.09423 1.78372 -192.19619 322.00307
5065.0000 76 0 -192.23565 3.04966 1.78884 -192.10420 324.70515
5070.0000 76 0 -192.43751 3.09708 1.77274 -192.39313 310.07416
5075.0000 76 0 -192.71497 2.74725 1.77448 -192.36194 314.47897
5080.0000 76 0 -191.92040 3.09573 1.77248 -192.39786 311.42633
5085.0000 76 0 -192.42606 2.93733 1.77863 -192.28741 318.02113
5090.0000 76 0 -192.62022 2.87257 1.75742 -192.66798 296.17964
5095.0000 76 0 -192.69770 2.79178 1.76631 -192.50850 305.14477
5100.0000 76 0 -192.82327 2.87243 1.74049 -192.97171 285.24614
5105.0000 76 0 -192.80068 2.86634 1.74555 -192.88097 289.89128
5110.0000 76 0 -192.53613 2.89342 1.75829 -192.65238 299.05583
5115.0000 76 0 -192.32815 2.79170 1.77719 -192.31323 313.91991
5120.0000 76 0 -192.20309 3.16647 1.76416 -192.54706 304.80912
5125.0000 76 0 -192.79414 2.71518 1.76646 -192.50578 307.16666
5130.0000 76 0 -192.66718 2.86757 1.76981 -192.44572 309.23775
5135.0000 76 0 -192.71039 2.89237 1.75226 -192.76062 293.37248
5140.0000 76 0 -192.46810 2.56721 1.75896 -192.64045 296.39386
5145.0000 76 0 -192.88770 2.91464 1.75767 -192.66360 298.85298
5150.0000 76 0 -193.03497 2.64140 1.73471 -193.07543 278.06901
5155.0000 76 0 -192.53751 3.22326 1.75935 -192.63347 300.35228
5160.0000 76 0 -192.73087 2.83313 1.76569 -192.51959 303.61482
5165.0000 76 0 -192.96041 2.63729 1.74769 -192.84260 290.80624
5170.0000 76 0 -192.50589 2.89944 1.74759 -192.84430 288.88158
5175.0000 76 0 -191.98410 3.58681 1.77443 -192.36273 317.19228
5180.0000 76 0 -192.43196 2.73905 1.77306 -192.38741 313.08320
5185.0000 76 0 -192.56692 2.68895 1.76544 -192.52417 303.20928
5190.0000 76 0 -192.92085 2.35161 1.75269 -192.75288 294.87600
5195.0000 76 0 -192.84550 2.66565 1.74604 -192.87224 286.58108
5200.0000 76 0 -193.35604 2.65956 1.74086 -192.96507 285.71845
5205.0000 76 0 -192.38171 3.19050 1.74234 -192.93851 284.62524
5210.0000 76 0 -192.46176 2.56808 1.77034 -192.43612 309.09832
5215.0000 76 0 -192.47419 3.07823 1.76225 -192.58136 303.20657
5220.0000 76 0 -192.28195 3.08742 1.76855 -192.46828 306.97302
5225.0000 76 0 -192.46041 3.39781 1.77258 -192.39609 310.67055
5230.0000 76 0 -192.33829 3.18769 1.77685 -192.31935 314.86873
5235.0000 76 0 -192.71304 2.70949 1.74571 -192.87803 288.08110
5240.0000 76 0 -192.69195 2.70922 1.73704 -193.03363 282.72598
5245.0000 76 0 -192.16971 3.04092 1.77893 -192.28207 317.32764
5250.0000 76 0 -192.99997 2.76426 1.76061 -192.61080 301.25392
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85943 -1.87891 -2.04011
force_rgl> df(natom) 0.00000 0.00000 0.00000
5255.0000 77 0 -192.55791 4.08477 1.90155 -192.73336 306.09051
5260.0000 77 0 -194.16330 3.28778 1.85968 -193.49119 363.44438
5265.0000 77 0 -194.82818 2.93075 1.80553 -194.47131 317.17247
5270.0000 77 0 -194.56916 2.90826 1.79038 -194.74549 301.01344
5275.0000 77 0 -194.34220 3.62665 1.80238 -194.52824 315.40602
5280.0000 77 0 -194.45740 3.39015 1.80449 -194.49014 317.21594
5285.0000 77 0 -194.52983 3.10441 1.79349 -194.68911 307.61453
5290.0000 77 0 -194.47855 3.10165 1.79198 -194.71659 307.03889
5295.0000 77 0 -194.54019 2.58396 1.81450 -194.30892 324.53320
5300.0000 77 0 -194.58980 2.95687 1.80572 -194.46788 315.35887
5305.0000 77 0 -195.34929 2.75185 1.78046 -194.92500 294.75164
5310.0000 77 0 -194.83246 3.12407 1.77160 -195.08541 290.61944
5315.0000 77 0 -194.84172 3.13073 1.77919 -194.94806 294.71521
5320.0000 77 0 -194.23054 3.42772 1.81610 -194.27991 324.87039
5325.0000 77 0 -194.97319 2.93187 1.79296 -194.69884 305.94910
5330.0000 77 0 -194.54360 3.31399 1.78809 -194.78691 301.36445
5335.0000 77 0 -194.57326 3.36217 1.81516 -194.29697 326.95655
5340.0000 77 0 -194.49392 3.25980 1.81022 -194.38647 320.77598
5345.0000 77 0 -194.18652 3.49851 1.80214 -194.53263 318.41526
5350.0000 77 0 -194.58717 3.03494 1.78999 -194.75253 302.74850
5355.0000 77 0 -194.98694 2.59126 1.77766 -194.97574 292.86018
5360.0000 77 0 -194.88683 2.65150 1.77865 -194.95782 293.23702
5365.0000 77 0 -195.07240 2.89192 1.78473 -194.84776 298.93356
5370.0000 77 0 -194.75552 3.21484 1.77414 -195.03946 288.73324
5375.0000 77 0 -194.30477 3.31639 1.78146 -194.90696 296.88592
5380.0000 77 0 -194.25286 3.03860 1.81896 -194.22827 328.74516
5385.0000 77 0 -194.30838 3.10609 1.81011 -194.38831 318.88709
5390.0000 77 0 -194.40713 3.40502 1.80478 -194.48483 311.68046
5395.0000 77 0 -194.83457 2.85047 1.78726 -194.80192 300.87955
5400.0000 77 0 -194.80114 2.90451 1.79434 -194.67388 307.24986
5405.0000 77 0 -194.19191 3.20197 1.81063 -194.37905 322.37969
5410.0000 77 0 -194.36615 2.53631 1.80767 -194.43245 318.84129
5415.0000 77 0 -194.10480 3.12174 1.81453 -194.30843 322.66775
5420.0000 77 0 -194.43694 3.45756 1.81866 -194.23368 328.20329
5425.0000 77 0 -195.27444 2.94203 1.78793 -194.78973 306.42137
5430.0000 77 0 -194.99500 3.12971 1.75699 -195.34977 289.99122
5435.0000 77 0 -194.99457 3.12370 1.76900 -195.13238 301.12670
5440.0000 77 0 -195.63047 2.83224 1.76230 -195.25368 294.89197
5445.0000 77 0 -195.37589 2.80674 1.75512 -195.38368 290.77473
5450.0000 77 0 -194.63870 2.98465 1.78405 -194.86002 314.24012
5455.0000 77 0 -194.40515 3.16753 1.78850 -194.77943 317.10928
5460.0000 77 0 -195.65924 2.84060 1.77466 -195.03004 305.79412
5465.0000 77 0 -194.61955 3.19159 1.76369 -195.22859 297.11582
5470.0000 77 0 -195.12033 2.84302 1.77206 -195.07711 302.49661
5475.0000 77 0 -194.63362 3.12065 1.77317 -195.05690 303.67092
5480.0000 77 0 -194.71582 3.16078 1.79203 -194.71554 321.06488
5485.0000 77 0 -194.35834 3.14989 1.80608 -194.46126 330.46307
5490.0000 77 0 -194.98692 2.96159 1.79086 -194.73670 318.02893
5495.0000 77 0 -194.68071 2.99647 1.78447 -194.85244 312.90491
5500.0000 77 0 -195.25531 2.93660 1.75971 -195.30049 290.41221
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 53.6346429 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink