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: 1800 main_MD> Size of nv and nvoiz: 49 4900 main_MD> Size of nv and nvoiz: 49 4900 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 = 49 main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance main_MD> collvar_wanted = F main_MD> INPUT AND POTENTIAL FILE READING IS DONE main_MD> THERMALIZATION IS STARTING init> 0.14160910866603216 7.2760212100439828E-002 -0.27572795104222192 initial drift of cluster / NP1 for coalescence init> 0.47210193855839289 0.40714409844045824 0.27800810784800767 scaling for velocity /for coalescence NP1 init.f90 > facguy = 1.8596158565290337E-003 preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084 preparo> END t=0 TIME STEP force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.00000 0.00000 0.00000 force_rgl> df(natom) 0.00000 4.66620 2.88387 preparo> THERMALIZATION PROCESS AT 303.60637567937596 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -30.045371942864332 0.36223467075618809 -30.407606613620519 3.6774386012987847E-004 preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE main_MD> Time-loop is starting for growth main_MD> Now the computation of EXECUTION TIME starts force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.11280 1.82887 1.34160 force_rgl> df(natom) 0.00000 0.00000 0.00000 5.0000 14 0 -29.76244 0.63209 1.95904 -29.92034 260.79820 10.0000 14 0 -30.38561 1.66873 1.93891 -30.03728 790.99705 15.0000 14 0 -30.81995 1.06976 1.83257 -30.65501 674.64161 20.0000 14 0 -31.67198 0.64820 1.71867 -31.31662 485.67855 25.0000 14 0 -31.60802 0.90030 1.67801 -31.55281 420.44216 30.0000 14 0 -31.48149 0.75394 1.69032 -31.48132 446.44643 35.0000 14 0 -31.74470 0.62337 1.67207 -31.58730 432.40981 40.0000 14 0 -32.03701 0.45228 1.63190 -31.82065 352.47197 45.0000 14 0 -31.89534 0.54092 1.60710 -31.96467 305.39923 50.0000 14 0 -31.88771 0.49592 1.61440 -31.92229 306.33079 55.0000 14 0 -31.77315 0.60853 1.62283 -31.87332 303.77947 60.0000 14 0 -31.92068 0.62388 1.64908 -31.72087 388.43090 65.0000 14 0 -31.93494 0.53258 1.60262 -31.99070 281.34415 70.0000 14 0 -31.66153 0.59473 1.64072 -31.76940 350.46787 75.0000 14 0 -31.87025 0.62416 1.63067 -31.82778 345.21697 80.0000 14 0 -31.88070 0.52753 1.62437 -31.86439 330.98399 85.0000 14 0 -31.88266 0.57014 1.63795 -31.78553 363.99771 90.0000 14 0 -31.80300 0.59297 1.65061 -31.71197 379.61890 95.0000 14 0 -31.94669 0.44940 1.61914 -31.89479 296.08123 100.0000 14 0 -31.84667 0.48468 1.65182 -31.70491 349.23376 105.0000 14 0 -31.99042 0.40093 1.62409 -31.86600 315.27031 110.0000 14 0 -32.02844 0.46983 1.62990 -31.83225 344.97029 115.0000 14 0 -31.95627 0.44021 1.61170 -31.93799 302.12896 120.0000 14 0 -32.17036 0.32465 1.60593 -31.97151 285.11639 125.0000 14 0 -31.66839 0.66820 1.61782 -31.90246 308.55652 130.0000 14 0 -31.87186 0.55125 1.61619 -31.91189 332.24095 135.0000 14 0 -31.79746 0.47124 1.63084 -31.82682 360.47270 140.0000 14 0 -31.86467 0.43490 1.61529 -31.91711 323.49690 145.0000 14 0 -31.83350 0.59393 1.61698 -31.90729 328.75195 150.0000 14 0 -31.74269 0.59599 1.65911 -31.66259 372.18746 155.0000 14 0 -31.92293 0.57262 1.62954 -31.83436 332.77190 160.0000 14 0 -31.95114 0.54001 1.62677 -31.85046 313.95480 165.0000 14 0 -31.77348 0.52251 1.63511 -31.80201 341.95260 170.0000 14 0 -31.86184 0.51655 1.61734 -31.90523 301.04244 175.0000 14 0 -31.50822 0.73630 1.66227 -31.64424 380.38366 180.0000 14 0 -31.73781 0.63665 1.67520 -31.56914 406.51789 185.0000 14 0 -31.75768 0.48996 1.62809 -31.84277 297.66524 190.0000 14 0 -32.04824 0.56332 1.60997 -31.94801 292.64955 195.0000 14 0 -32.04722 0.34424 1.60856 -31.95624 306.68541 200.0000 14 0 -31.97032 0.37456 1.61055 -31.94465 300.21419 205.0000 14 0 -31.96472 0.42436 1.60679 -31.96649 291.69632 210.0000 14 0 -31.82436 0.61987 1.62387 -31.86728 332.56353 215.0000 14 0 -32.05123 0.57424 1.61299 -31.93051 318.24273 220.0000 14 0 -31.78037 0.47093 1.64480 -31.74570 347.92966 225.0000 14 0 -31.59786 0.78088 1.65926 -31.66173 394.60792 230.0000 14 0 -31.93692 0.67845 1.64039 -31.77132 373.48809 235.0000 14 0 -31.72095 0.51208 1.63093 -31.82629 354.12213 240.0000 14 0 -31.65597 0.75592 1.65102 -31.70956 401.86415 245.0000 14 0 -31.88964 0.63251 1.61866 -31.89755 328.67394 250.0000 14 0 -31.85626 0.57653 1.60699 -31.96533 299.80053 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.54859 1.21603 -3.50461 force_rgl> df(natom) 0.00000 0.00000 0.00000 255.0000 15 0 -31.95408 1.18606 2.07134 -31.65170 461.73595 260.0000 15 0 -33.63034 0.92944 1.82956 -33.12226 619.18507 265.0000 15 0 -34.31388 0.69943 1.68378 -34.00891 406.05154 270.0000 15 0 -34.42262 0.57516 1.62636 -34.35813 329.41942 275.0000 15 0 -34.42858 0.51702 1.61882 -34.40404 321.03241 280.0000 15 0 -34.46376 0.44678 1.60580 -34.48319 300.89236 285.0000 15 0 -34.44294 0.59768 1.60759 -34.47234 306.01134 290.0000 15 0 -34.42565 0.52958 1.61059 -34.45405 311.91309 295.0000 15 0 -34.35815 0.75863 1.61203 -34.44533 305.57611 300.0000 15 0 -34.15082 0.76160 1.63897 -34.28143 362.99586 305.0000 15 0 -34.11237 0.77971 1.66332 -34.13336 394.89425 310.0000 15 0 -34.26222 0.76909 1.64725 -34.23112 379.81918 315.0000 15 0 -34.41713 0.45576 1.62647 -34.35748 336.30971 320.0000 15 0 -33.94171 0.94648 1.65602 -34.17777 375.79468 325.0000 15 0 -34.07188 0.87049 1.66567 -34.11908 396.06562 330.0000 15 0 -34.40903 0.62653 1.65502 -34.18385 389.46105 335.0000 15 0 -34.43226 0.64008 1.61262 -34.44174 328.34130 340.0000 15 0 -34.64488 0.40657 1.60706 -34.47557 301.73120 345.0000 15 0 -34.19133 0.58685 1.62391 -34.37304 333.79348 350.0000 15 0 -34.44287 0.57768 1.62060 -34.39317 327.02880 355.0000 15 0 -34.41209 0.62748 1.62390 -34.37312 335.96188 360.0000 15 0 -34.41410 0.72279 1.61608 -34.42065 320.15625 365.0000 15 0 -34.32686 0.44169 1.64189 -34.26371 373.79015 370.0000 15 0 -34.56633 0.51891 1.63424 -34.31022 357.90071 375.0000 15 0 -34.74266 0.41660 1.57203 -34.68859 251.09761 380.0000 15 0 -34.20955 0.61682 1.60041 -34.51599 303.50234 385.0000 15 0 -34.37428 0.58217 1.64569 -34.24057 367.91496 390.0000 15 0 -34.33527 0.67465 1.65318 -34.19502 367.38886 395.0000 15 0 -34.31200 0.67430 1.60477 -34.48949 298.16387 400.0000 15 0 -34.51892 0.61042 1.60738 -34.47359 297.69869 405.0000 15 0 -34.31285 0.60405 1.61186 -34.44635 324.69836 410.0000 15 0 -34.08009 0.67538 1.65721 -34.17052 388.50702 415.0000 15 0 -34.41949 0.65098 1.62864 -34.34431 358.15085 420.0000 15 0 -34.12244 0.87795 1.63058 -34.33246 350.72254 425.0000 15 0 -34.49922 0.59549 1.62903 -34.34190 331.16261 430.0000 15 0 -34.83976 0.41512 1.59523 -34.54751 290.03064 435.0000 15 0 -34.83222 0.36170 1.55318 -34.80327 222.12883 440.0000 15 0 -34.66398 0.57926 1.55646 -34.78331 224.58805 445.0000 15 0 -34.56118 0.34769 1.57908 -34.64574 251.12308 450.0000 15 0 -34.24422 0.42431 1.62365 -34.37462 316.79503 455.0000 15 0 -34.39474 0.59907 1.63633 -34.29750 335.96651 460.0000 15 0 -34.37909 0.64970 1.61856 -34.40560 322.77593 465.0000 15 0 -34.20653 0.74140 1.63523 -34.30422 350.31657 470.0000 15 0 -34.26743 0.62256 1.65431 -34.18816 364.18572 475.0000 15 0 -34.25796 0.49907 1.64247 -34.26015 343.48295 480.0000 15 0 -34.44577 0.54086 1.63460 -34.30801 334.52363 485.0000 15 0 -34.62739 0.61607 1.60212 -34.50558 284.47600 490.0000 15 0 -34.47289 0.63636 1.59575 -34.54430 276.44153 495.0000 15 0 -34.50980 0.58476 1.59609 -34.54224 272.54450 500.0000 15 0 -34.34956 0.60483 1.59453 -34.55173 285.19706 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.07472 -1.83473 1.61217 force_rgl> df(natom) 0.00000 0.00000 0.00000 505.0000 16 0 -34.29009 0.50345 2.03300 -34.29123 340.06113 510.0000 16 0 -35.23572 1.42326 1.94630 -34.84175 730.71911 515.0000 16 0 -36.18685 1.08888 1.76704 -35.97998 555.23008 520.0000 16 0 -36.53767 0.61886 1.69240 -36.45395 414.25066 525.0000 16 0 -36.55340 0.77228 1.66220 -36.64569 374.79085 530.0000 16 0 -36.98742 0.54360 1.65011 -36.72244 368.69534 535.0000 16 0 -36.80862 0.78823 1.60456 -37.01171 285.13634 540.0000 16 0 -36.88026 0.52734 1.61693 -36.93313 300.09104 545.0000 16 0 -36.88671 0.47262 1.63200 -36.83743 316.22306 550.0000 16 0 -37.05186 0.50732 1.62463 -36.88425 305.42818 555.0000 16 0 -36.89062 0.66373 1.61725 -36.93111 286.91729 560.0000 16 0 -36.88192 0.53057 1.61755 -36.92921 290.36856 565.0000 16 0 -36.73088 0.83048 1.61892 -36.92051 316.60957 570.0000 16 0 -36.87196 0.58049 1.62215 -36.89997 314.14127 575.0000 16 0 -36.99390 0.54589 1.60731 -36.99421 291.16605 580.0000 16 0 -36.73217 0.71323 1.61810 -36.92570 319.41448 585.0000 16 0 -36.71391 0.42632 1.64247 -36.77098 342.64216 590.0000 16 0 -36.81941 0.76120 1.64600 -36.74857 347.89918 595.0000 16 0 -37.05634 0.46102 1.61281 -36.95928 318.08960 600.0000 16 0 -36.98392 0.61920 1.59604 -37.06579 267.22532 605.0000 16 0 -36.88245 0.57020 1.61123 -36.96936 282.88345 610.0000 16 0 -36.91370 0.51114 1.61121 -36.96943 294.71612 615.0000 16 0 -36.74680 0.76139 1.64945 -36.72666 348.69125 620.0000 16 0 -36.62910 0.55124 1.64706 -36.74181 345.49086 625.0000 16 0 -36.36063 1.02256 1.69999 -36.40574 439.27585 630.0000 16 0 -36.51208 0.89977 1.69640 -36.42853 415.52160 635.0000 16 0 -36.18908 0.58554 1.69219 -36.45529 403.66044 640.0000 16 0 -36.73438 0.67208 1.68551 -36.49769 415.89436 645.0000 16 0 -36.47192 0.79515 1.66360 -36.63681 377.19839 650.0000 16 0 -36.75481 0.68136 1.65116 -36.71580 342.19756 655.0000 16 0 -36.96993 0.65443 1.63709 -36.80515 328.58922 660.0000 16 0 -36.88867 0.59271 1.63286 -36.83200 316.02505 665.0000 16 0 -36.80207 0.79552 1.62200 -36.90092 307.50628 670.0000 16 0 -36.76548 0.72722 1.64529 -36.75303 356.36707 675.0000 16 0 -36.78512 0.70751 1.63921 -36.79164 350.64841 680.0000 16 0 -37.01071 0.45199 1.61330 -36.95617 303.53551 685.0000 16 0 -36.70799 0.65522 1.63653 -36.80870 346.46141 690.0000 16 0 -36.71362 0.59556 1.64091 -36.78088 346.17289 695.0000 16 0 -36.52198 0.86090 1.65589 -36.68576 370.83588 700.0000 16 0 -36.53720 0.58199 1.67203 -36.58330 383.47935 705.0000 16 0 -36.39588 0.83132 1.69215 -36.45551 428.13402 710.0000 16 0 -36.93614 0.54301 1.64702 -36.74207 346.14069 715.0000 16 0 -36.95065 0.53624 1.61557 -36.94179 298.66048 720.0000 16 0 -37.11415 0.52580 1.59228 -37.08963 261.91576 725.0000 16 0 -36.86251 0.56280 1.61360 -36.95430 292.29698 730.0000 16 0 -37.04139 0.64380 1.61542 -36.94269 291.08796 735.0000 16 0 -36.78639 0.61309 1.61953 -36.91665 304.48687 740.0000 16 0 -36.79648 0.74733 1.64729 -36.74037 357.29189 745.0000 16 0 -37.10945 0.50284 1.61693 -36.93314 300.38436 750.0000 16 0 -36.88689 0.78934 1.58123 -37.15984 239.90561 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.91349 2.92227 0.56747 force_rgl> df(natom) 0.00000 0.00000 0.00000 755.0000 17 0 -36.88970 1.70166 2.01128 -36.85244 344.89272 760.0000 17 0 -38.18203 0.97776 1.93397 -37.36360 746.83927 765.0000 17 0 -38.84466 1.06125 1.73283 -38.69339 473.68584 770.0000 17 0 -39.22806 0.68458 1.66184 -39.16275 348.90830 775.0000 17 0 -39.41872 0.76502 1.64361 -39.28326 342.46526 780.0000 17 0 -39.32309 0.72219 1.62493 -39.40683 305.86246 785.0000 17 0 -39.39908 0.60514 1.62501 -39.40627 299.01676 790.0000 17 0 -39.37577 0.56622 1.61381 -39.48029 282.33209 795.0000 17 0 -39.47223 0.53418 1.60290 -39.55245 255.95965 800.0000 17 0 -39.25184 0.75847 1.62132 -39.43067 285.25553 805.0000 17 0 -39.30544 0.45278 1.62545 -39.40337 309.86463 810.0000 17 0 -39.16890 0.76351 1.66059 -39.17102 355.12364 815.0000 17 0 -39.12407 0.89952 1.66040 -39.17229 353.25342 820.0000 17 0 -39.58778 0.45908 1.61924 -39.44443 293.70058 825.0000 17 0 -39.26655 0.56295 1.61992 -39.43993 295.56979 830.0000 17 0 -39.40707 0.42911 1.64148 -39.29738 320.24816 835.0000 17 0 -39.10301 0.79387 1.64564 -39.26990 329.60161 840.0000 17 0 -39.44978 0.59464 1.62708 -39.39256 308.57918 845.0000 17 0 -39.25147 0.74035 1.62412 -39.41212 301.53990 850.0000 17 0 -39.51207 0.58395 1.62556 -39.40262 303.88156 855.0000 17 0 -39.24391 0.59606 1.61162 -39.49480 278.70273 860.0000 17 0 -39.28348 0.73285 1.64489 -39.27483 325.20227 865.0000 17 0 -39.15499 0.75305 1.67084 -39.10329 370.11619 870.0000 17 0 -39.24749 0.77619 1.67506 -39.07534 385.57531 875.0000 17 0 -39.16569 0.70976 1.65603 -39.20117 366.51048 880.0000 17 0 -39.27412 0.66316 1.64215 -39.29292 341.80572 885.0000 17 0 -39.46396 0.57180 1.63436 -39.34443 316.65597 890.0000 17 0 -39.29142 0.70119 1.63073 -39.36846 321.12229 895.0000 17 0 -39.42856 0.67297 1.62769 -39.38852 301.71625 900.0000 17 0 -39.11980 0.80341 1.64564 -39.26988 331.75682 905.0000 17 0 -39.29267 0.68241 1.65260 -39.22388 340.40799 910.0000 17 0 -39.42186 0.70083 1.63764 -39.32275 312.13680 915.0000 17 0 -39.17558 0.69228 1.66333 -39.15291 355.84564 920.0000 17 0 -39.30970 0.62316 1.63623 -39.33211 305.73874 925.0000 17 0 -39.41535 0.77159 1.62687 -39.39398 314.73211 930.0000 17 0 -39.17624 0.70993 1.66356 -39.15142 365.68084 935.0000 17 0 -39.16491 0.51003 1.67347 -39.08588 361.29933 940.0000 17 0 -39.10907 0.86870 1.65208 -39.22730 335.44864 945.0000 17 0 -39.04813 0.96125 1.66119 -39.16703 363.21399 950.0000 17 0 -39.10667 0.65361 1.67052 -39.10535 379.20465 955.0000 17 0 -39.08706 0.64738 1.65830 -39.18619 359.03215 960.0000 17 0 -39.54878 0.48940 1.64690 -39.26153 328.78337 965.0000 17 0 -39.43236 0.58642 1.62147 -39.42969 286.66679 970.0000 17 0 -39.25487 0.63021 1.62471 -39.40827 304.08837 975.0000 17 0 -39.13593 0.85938 1.66873 -39.11722 380.71672 980.0000 17 0 -39.36704 0.72370 1.64079 -39.30193 331.74217 985.0000 17 0 -39.08843 1.06341 1.64911 -39.24690 346.65126 990.0000 17 0 -39.08275 0.61064 1.66449 -39.14525 352.97125 995.0000 17 0 -39.09025 0.71060 1.66166 -39.16395 340.79637 1000.0000 17 0 -39.50859 0.63180 1.63591 -39.33419 308.53271 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.48097 -0.67906 -0.89946 force_rgl> df(natom) 0.00000 0.00000 0.00000 1005.0000 18 0 -39.15141 2.43237 1.99959 -39.36627 364.85451 1010.0000 18 0 -40.21070 1.28366 1.93618 -39.80173 721.14048 1015.0000 18 0 -41.20532 0.99799 1.79418 -40.77704 488.61794 1020.0000 18 0 -41.51109 0.80982 1.67457 -41.59856 333.81316 1025.0000 18 0 -41.84452 0.64705 1.66111 -41.69100 337.22180 1030.0000 18 0 -41.91792 0.73157 1.64822 -41.77959 323.02523 1035.0000 18 0 -41.47896 1.07187 1.65309 -41.74608 326.46390 1040.0000 18 0 -41.43317 0.95035 1.70319 -41.40200 395.66520 1045.0000 18 0 -41.65695 0.84869 1.69281 -41.47328 368.47726 1050.0000 18 0 -41.84849 0.71114 1.65461 -41.73567 334.80167 1055.0000 18 0 -41.94570 0.43935 1.63495 -41.87068 291.31865 1060.0000 18 0 -41.49235 1.06740 1.65281 -41.74801 330.62187 1065.0000 18 0 -41.63099 0.81626 1.66147 -41.68856 342.25325 1070.0000 18 0 -41.97604 0.73298 1.66440 -41.66845 346.18074 1075.0000 18 0 -41.71552 0.53367 1.64253 -41.81864 317.13293 1080.0000 18 0 -41.65034 0.80060 1.66151 -41.68826 342.24673 1085.0000 18 0 -41.87726 0.41712 1.66415 -41.67016 351.25427 1090.0000 18 0 -41.97732 0.64200 1.61763 -41.98962 276.53439 1095.0000 18 0 -41.71806 0.68649 1.63264 -41.88660 303.75222 1100.0000 18 0 -41.96617 0.61860 1.65044 -41.76432 326.51549 1105.0000 18 0 -41.76758 0.69323 1.63437 -41.87470 303.10935 1110.0000 18 0 -41.77939 0.64212 1.63896 -41.84313 295.59851 1115.0000 18 0 -41.44473 0.76475 1.70312 -41.40247 403.86000 1120.0000 18 0 -41.65869 0.69275 1.67841 -41.57222 350.08461 1125.0000 18 0 -41.43485 1.06617 1.66986 -41.63093 365.16982 1130.0000 18 0 -41.62150 0.61006 1.68010 -41.56062 357.70463 1135.0000 18 0 -41.92036 0.72186 1.64693 -41.78844 300.67628 1140.0000 18 0 -41.82195 0.65320 1.63693 -41.85707 286.32776 1145.0000 18 0 -41.68712 0.72378 1.64465 -41.80406 296.35394 1150.0000 18 0 -41.62890 0.70995 1.66463 -41.66687 336.79477 1155.0000 18 0 -42.04064 0.40752 1.64860 -41.77698 271.97345 1160.0000 18 0 -41.76728 0.61194 1.64982 -41.76855 286.03977 1165.0000 18 0 -41.64829 0.68330 1.64189 -41.82303 283.52163 1170.0000 18 0 -41.74076 0.86509 1.65285 -41.74777 304.05334 1175.0000 18 0 -41.72252 0.70106 1.63296 -41.88433 301.65002 1180.0000 18 0 -41.68575 0.72144 1.64137 -41.82663 308.61364 1185.0000 18 0 -41.73685 0.61451 1.64911 -41.77343 320.74030 1190.0000 18 0 -41.64777 0.63900 1.64131 -41.82703 308.98732 1195.0000 18 0 -41.90992 0.56853 1.65471 -41.73496 340.84540 1200.0000 18 0 -41.74366 0.78806 1.65271 -41.74873 343.32851 1205.0000 18 0 -41.56570 0.75985 1.65450 -41.73640 327.03273 1210.0000 18 0 -41.85244 0.69655 1.65812 -41.71152 328.76298 1215.0000 18 0 -41.93163 0.57738 1.63796 -41.85001 285.07208 1220.0000 18 0 -41.82219 0.71192 1.64663 -41.79047 323.40954 1225.0000 18 0 -41.67405 0.80241 1.63639 -41.86083 307.21119 1230.0000 18 0 -41.72617 0.68815 1.65222 -41.75207 313.89159 1235.0000 18 0 -42.08588 0.50578 1.62540 -41.93631 272.42332 1240.0000 18 0 -41.66716 0.74810 1.63330 -41.88204 296.16528 1245.0000 18 0 -41.73178 0.65611 1.65536 -41.73050 314.10240 1250.0000 18 0 -41.83293 0.46530 1.64389 -41.80927 305.54823 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.60361 -1.48226 2.05421 force_rgl> df(natom) 0.00000 0.00000 0.00000 1255.0000 19 0 -41.58982 1.14897 2.02689 -41.61777 357.26090 1260.0000 19 0 -43.02700 0.99589 1.92568 -42.33848 656.27362 1265.0000 19 0 -43.58285 0.84923 1.79224 -43.28861 482.45324 1270.0000 19 0 -43.65508 0.94621 1.75489 -43.55455 409.39575 1275.0000 19 0 -43.66062 1.13831 1.74049 -43.65707 392.35031 1280.0000 19 0 -43.95291 0.64780 1.72654 -43.75638 378.97416 1285.0000 19 0 -43.90968 0.90470 1.68846 -44.02758 335.06196 1290.0000 19 0 -44.05648 0.77245 1.69992 -43.94593 358.22834 1295.0000 19 0 -43.86459 0.89384 1.68308 -44.06586 326.58845 1300.0000 19 0 -44.20199 0.49973 1.66773 -44.17512 314.04777 1305.0000 19 0 -44.28758 0.72113 1.65665 -44.25406 289.17101 1310.0000 19 0 -44.03466 0.96088 1.66225 -44.21417 307.08035 1315.0000 19 0 -44.22630 0.81614 1.69607 -43.97339 361.75057 1320.0000 19 0 -44.52909 0.54891 1.63049 -44.44029 259.05237 1325.0000 19 0 -43.75240 0.86768 1.67450 -44.12692 329.57051 1330.0000 19 0 -44.10304 0.81452 1.70984 -43.87529 374.67285 1335.0000 19 0 -44.35525 0.62837 1.65315 -44.27894 293.26143 1340.0000 19 0 -44.38087 0.51198 1.65068 -44.29658 281.85501 1345.0000 19 0 -44.04657 0.68274 1.67480 -44.12480 319.93858 1350.0000 19 0 -44.19711 0.64005 1.67022 -44.15741 323.73350 1355.0000 19 0 -44.19005 0.67088 1.66015 -44.22914 316.90832 1360.0000 19 0 -43.83323 0.88648 1.68327 -44.06450 350.78660 1365.0000 19 0 -44.11626 0.84623 1.69265 -43.99774 356.28837 1370.0000 19 0 -44.03772 0.72841 1.66943 -44.16302 327.98348 1375.0000 19 0 -43.98448 0.96371 1.70053 -43.94161 369.36137 1380.0000 19 0 -44.23914 0.86316 1.68998 -44.01672 365.13470 1385.0000 19 0 -44.14127 0.73546 1.66462 -44.19732 317.51517 1390.0000 19 0 -43.94473 0.74196 1.67370 -44.13262 326.52436 1395.0000 19 0 -44.34100 0.66099 1.66410 -44.20102 314.81446 1400.0000 19 0 -44.24620 0.61203 1.65677 -44.25319 294.38536 1405.0000 19 0 -44.03769 0.86617 1.66582 -44.18873 286.37051 1410.0000 19 0 -44.09477 0.91963 1.70232 -43.92887 370.84520 1415.0000 19 0 -44.30909 0.61076 1.66883 -44.16735 313.66914 1420.0000 19 0 -44.24440 0.64404 1.67210 -44.14402 305.94261 1425.0000 19 0 -44.15105 0.60697 1.65728 -44.24955 278.76496 1430.0000 19 0 -44.36566 0.63260 1.64486 -44.33798 276.75019 1435.0000 19 0 -44.01787 1.03096 1.67395 -44.13088 321.20333 1440.0000 19 0 -43.89046 0.99939 1.68776 -44.03252 346.09499 1445.0000 19 0 -44.15350 0.81394 1.68287 -44.06735 329.22533 1450.0000 19 0 -44.04194 0.60130 1.67103 -44.15163 319.52982 1455.0000 19 0 -44.21566 0.59318 1.67575 -44.11804 330.73689 1460.0000 19 0 -44.26097 0.52120 1.65749 -44.24807 304.97971 1465.0000 19 0 -44.36497 0.55375 1.66572 -44.18949 303.85468 1470.0000 19 0 -44.14515 0.70774 1.65902 -44.23714 297.46818 1475.0000 19 0 -44.24342 0.70462 1.65996 -44.23049 292.66497 1480.0000 19 0 -44.35716 0.69519 1.65160 -44.28998 293.73758 1485.0000 19 0 -44.50295 0.59544 1.62756 -44.46119 264.35329 1490.0000 19 0 -44.11729 0.68899 1.66361 -44.20445 313.75177 1495.0000 19 0 -44.24419 0.65129 1.68507 -44.05170 343.37729 1500.0000 19 0 -44.07607 0.86454 1.65141 -44.29137 299.32901 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.49141 -1.36837 -5.16011 force_rgl> df(natom) 0.00000 0.00000 0.00000 1505.0000 20 0 -44.02764 0.77200 2.00976 -44.19198 325.83070 1510.0000 20 0 -45.31954 1.11931 1.92114 -44.84493 573.33817 1515.0000 20 0 -46.13958 0.85300 1.80417 -45.70673 478.86838 1520.0000 20 0 -46.54528 0.74326 1.72669 -46.27767 367.57803 1525.0000 20 0 -46.64829 0.96079 1.67636 -46.64848 332.27106 1530.0000 20 0 -46.69413 0.85075 1.66420 -46.73805 308.40957 1535.0000 20 0 -46.78294 0.67261 1.66488 -46.73308 316.96657 1540.0000 20 0 -46.72485 0.74215 1.64918 -46.84875 283.68443 1545.0000 20 0 -46.92008 0.81357 1.65716 -46.78997 305.09788 1550.0000 20 0 -46.80587 0.78660 1.64792 -46.85804 285.78014 1555.0000 20 0 -46.53278 0.77637 1.66304 -46.74661 289.89411 1560.0000 20 0 -46.34530 0.91789 1.69912 -46.48074 349.40775 1565.0000 20 0 -46.58897 0.67395 1.70267 -46.45458 364.48747 1570.0000 20 0 -46.79325 0.74890 1.67055 -46.69129 316.83825 1575.0000 20 0 -46.86566 0.60217 1.67032 -46.69301 312.97527 1580.0000 20 0 -46.55356 1.03923 1.68039 -46.61878 328.75986 1585.0000 20 0 -46.64291 0.89650 1.69310 -46.52516 353.97484 1590.0000 20 0 -46.51259 0.99578 1.67709 -46.64307 334.71339 1595.0000 20 0 -47.01481 0.71362 1.65731 -46.78887 314.98612 1600.0000 20 0 -46.80792 0.66535 1.64076 -46.91077 278.13955 1605.0000 20 0 -46.83686 0.79510 1.65554 -46.80187 282.45505 1610.0000 20 0 -46.72171 0.86313 1.65224 -46.82617 300.19724 1615.0000 20 0 -46.01069 1.24260 1.69800 -46.48907 356.67070 1620.0000 20 0 -46.40812 1.09670 1.72726 -46.27344 387.84434 1625.0000 20 0 -46.73292 0.66536 1.67316 -46.67202 313.22369 1630.0000 20 0 -46.68273 0.86210 1.67459 -46.66154 325.80685 1635.0000 20 0 -46.54697 0.89459 1.67901 -46.62896 329.13737 1640.0000 20 0 -46.58776 0.69980 1.69440 -46.51559 346.85126 1645.0000 20 0 -46.77560 0.78295 1.65252 -46.82413 296.68617 1650.0000 20 0 -46.62838 0.68608 1.69319 -46.52448 344.01018 1655.0000 20 0 -46.64938 1.03338 1.67246 -46.67723 326.22376 1660.0000 20 0 -46.54813 0.80060 1.70236 -46.45687 382.14219 1665.0000 20 0 -46.98419 0.58451 1.66536 -46.72953 312.63544 1670.0000 20 0 -46.59821 0.92635 1.63227 -46.97332 271.76740 1675.0000 20 0 -46.32516 0.77204 1.69822 -46.48743 362.47905 1680.0000 20 0 -46.40382 0.96902 1.71091 -46.39393 372.23191 1685.0000 20 0 -46.88368 0.64605 1.67369 -46.66812 332.34253 1690.0000 20 0 -46.79550 0.60374 1.67127 -46.68595 321.61899 1695.0000 20 0 -46.66901 0.61812 1.63352 -46.96416 262.54708 1700.0000 20 0 -46.83281 0.56933 1.65324 -46.81885 294.11516 1705.0000 20 0 -46.70969 0.84790 1.65383 -46.81449 298.18166 1710.0000 20 0 -46.87572 0.67398 1.63325 -46.96613 275.43305 1715.0000 20 0 -46.63960 0.91662 1.66856 -46.70594 337.76366 1720.0000 20 0 -46.96014 0.73932 1.64671 -46.86694 295.91907 1725.0000 20 0 -46.80338 0.90184 1.65202 -46.82782 294.11986 1730.0000 20 0 -46.77687 0.75065 1.66375 -46.74141 307.59268 1735.0000 20 0 -46.62292 0.80759 1.64861 -46.85291 293.68700 1740.0000 20 0 -46.55237 0.79937 1.68047 -46.61819 330.53520 1745.0000 20 0 -46.98501 0.51998 1.66719 -46.71607 314.31831 1750.0000 20 0 -46.69917 0.83176 1.66517 -46.73096 316.09676 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.38391 0.36180 -0.26712 force_rgl> df(natom) 0.00000 0.00000 0.00000 1755.0000 21 0 -46.34398 1.39040 2.02299 -46.55171 340.26874 1760.0000 21 0 -47.87986 1.08557 1.93187 -47.24528 628.73219 1765.0000 21 0 -48.80698 0.96393 1.78455 -48.36664 426.54563 1770.0000 21 0 -49.08016 0.78780 1.68903 -49.09366 345.40062 1775.0000 21 0 -49.34692 0.68396 1.66482 -49.27796 331.18473 1780.0000 21 0 -49.47387 0.79873 1.64006 -49.46645 300.91364 1785.0000 21 0 -49.22402 0.77441 1.65525 -49.35080 320.48986 1790.0000 21 0 -49.68257 0.66805 1.64176 -49.45344 295.08463 1795.0000 21 0 -49.38252 0.76968 1.63366 -49.51514 265.69514 1800.0000 21 0 -49.29366 0.80486 1.63706 -49.48924 270.96398 1805.0000 21 0 -49.37845 0.64596 1.67196 -49.22359 335.41929 1810.0000 21 0 -49.35129 0.86543 1.66853 -49.24972 343.77616 1815.0000 21 0 -49.20679 0.67098 1.67578 -49.19450 356.22786 1820.0000 21 0 -49.21819 1.07999 1.68360 -49.13499 351.41493 1825.0000 21 0 -49.37891 0.77237 1.67046 -49.23504 336.20697 1830.0000 21 0 -49.42616 0.93870 1.63759 -49.48519 294.28539 1835.0000 21 0 -49.28387 0.89561 1.65085 -49.38431 301.78096 1840.0000 21 0 -49.26896 0.72289 1.64704 -49.41331 299.66854 1845.0000 21 0 -49.03926 0.95712 1.68041 -49.15932 346.94183 1850.0000 21 0 -48.97610 1.08097 1.70615 -48.96338 394.37644 1855.0000 21 0 -49.36122 0.89408 1.68850 -49.09770 362.76296 1860.0000 21 0 -48.95951 1.09341 1.68379 -49.13356 350.39036 1865.0000 21 0 -49.43011 0.64237 1.69272 -49.06557 364.87478 1870.0000 21 0 -49.12636 1.01466 1.67519 -49.19903 345.35634 1875.0000 21 0 -49.17575 0.85561 1.66250 -49.29564 329.72076 1880.0000 21 0 -49.34786 0.79036 1.65246 -49.37201 308.07663 1885.0000 21 0 -49.20791 0.72853 1.66457 -49.27988 345.66016 1890.0000 21 0 -48.70388 1.51425 1.69927 -49.01577 373.22065 1895.0000 21 0 -49.32484 0.86787 1.68989 -49.08710 377.58667 1900.0000 21 0 -49.11261 0.71658 1.65889 -49.32310 330.26271 1905.0000 21 0 -49.41109 0.82137 1.67240 -49.22027 341.20212 1910.0000 21 0 -49.24393 0.97834 1.65449 -49.35658 310.28157 1915.0000 21 0 -48.99670 1.07921 1.66457 -49.27987 325.05206 1920.0000 21 0 -49.13206 0.93021 1.69743 -49.02977 374.28749 1925.0000 21 0 -49.24759 0.84950 1.67195 -49.22369 338.85966 1930.0000 21 0 -49.03668 0.88042 1.68970 -49.08855 362.77741 1935.0000 21 0 -49.18545 1.06066 1.67041 -49.23538 341.43399 1940.0000 21 0 -49.16611 0.88583 1.67053 -49.23449 342.09291 1945.0000 21 0 -49.38191 0.72843 1.66900 -49.24616 327.66706 1950.0000 21 0 -49.10182 1.15372 1.67262 -49.21862 349.60790 1955.0000 21 0 -49.18233 0.88687 1.68323 -49.13780 351.32553 1960.0000 21 0 -49.70805 0.53053 1.62906 -49.55013 275.37749 1965.0000 21 0 -49.45243 0.86444 1.63480 -49.50642 285.82428 1970.0000 21 0 -49.17382 0.82448 1.65824 -49.32806 319.09220 1975.0000 21 0 -49.37509 0.80537 1.67198 -49.22346 343.60847 1980.0000 21 0 -49.09313 0.94156 1.66439 -49.28126 324.13004 1985.0000 21 0 -49.21514 0.69785 1.67771 -49.17981 344.95864 1990.0000 21 0 -49.13753 1.07219 1.65739 -49.33448 320.21652 1995.0000 21 0 -49.01385 1.02043 1.68865 -49.09655 357.80503 2000.0000 21 0 -49.12246 1.09503 1.68069 -49.15713 352.94089 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.29004 3.97938 -2.29366 force_rgl> df(natom) 0.00000 0.00000 0.00000 2005.0000 22 0 -48.81918 1.10697 2.02178 -49.02615 370.16539 2010.0000 22 0 -50.94915 1.47410 1.88312 -50.11481 544.55192 2015.0000 22 0 -51.71119 0.94845 1.71224 -51.45651 402.25105 2020.0000 22 0 -51.92392 0.87533 1.66096 -51.85909 328.13805 2025.0000 22 0 -52.03300 0.94337 1.64038 -52.02071 304.34347 2030.0000 22 0 -51.82251 0.80209 1.64663 -51.97160 324.53254 2035.0000 22 0 -52.05056 0.76264 1.65213 -51.92843 320.43243 2040.0000 22 0 -52.14267 0.65951 1.65435 -51.91096 319.26677 2045.0000 22 0 -51.96170 0.88008 1.63086 -52.09542 296.30241 2050.0000 22 0 -52.20319 0.65385 1.62182 -52.16637 274.69143 2055.0000 22 0 -52.18930 0.82395 1.61999 -52.18076 272.47649 2060.0000 22 0 -52.13191 0.76565 1.61137 -52.24844 260.43034 2065.0000 22 0 -51.95425 0.70087 1.64201 -52.00786 307.33566 2070.0000 22 0 -51.98647 0.93523 1.65236 -51.92661 310.64360 2075.0000 22 0 -51.72984 0.95600 1.65113 -51.93629 308.41706 2080.0000 22 0 -51.92240 0.78761 1.67701 -51.73308 336.16101 2085.0000 22 0 -51.93728 0.81852 1.67243 -51.76904 343.79270 2090.0000 22 0 -51.62409 0.96161 1.67544 -51.74544 356.15143 2095.0000 22 0 -51.99867 0.86885 1.66659 -51.81490 331.40488 2100.0000 22 0 -51.99194 0.81552 1.66493 -51.82796 327.51843 2105.0000 22 0 -51.87255 0.94898 1.66795 -51.80424 337.96048 2110.0000 22 0 -51.93905 0.77104 1.67134 -51.77760 338.92344 2115.0000 22 0 -51.58236 0.95342 1.67935 -51.71474 366.85965 2120.0000 22 0 -52.00279 1.14207 1.66237 -51.84801 327.08874 2125.0000 22 0 -51.97724 0.89822 1.65201 -51.92940 316.30370 2130.0000 22 0 -51.48867 1.15205 1.66128 -51.85656 340.27643 2135.0000 22 0 -51.40565 1.25988 1.71067 -51.46881 403.37646 2140.0000 22 0 -51.61595 0.91177 1.67717 -51.73183 346.97244 2145.0000 22 0 -52.05549 0.84181 1.66958 -51.79139 340.89521 2150.0000 22 0 -51.96529 0.72957 1.63408 -52.07018 304.98775 2155.0000 22 0 -51.79711 0.67606 1.66554 -51.82315 333.02260 2160.0000 22 0 -51.65580 1.07113 1.67110 -51.77947 351.36068 2165.0000 22 0 -51.57740 1.13894 1.68702 -51.65451 354.76065 2170.0000 22 0 -52.04533 0.79399 1.65238 -51.92646 321.46879 2175.0000 22 0 -51.97536 0.86139 1.62237 -52.16212 278.64838 2180.0000 22 0 -51.69290 0.95940 1.67970 -51.71198 372.84589 2185.0000 22 0 -52.34759 0.60018 1.62382 -52.15073 279.34203 2190.0000 22 0 -51.62803 0.84545 1.62499 -52.14150 280.06446 2195.0000 22 0 -51.97957 0.71645 1.66693 -51.81225 335.47851 2200.0000 22 0 -51.71656 0.90878 1.66319 -51.84161 329.31858 2205.0000 22 0 -51.94110 0.85695 1.66277 -51.84485 324.98703 2210.0000 22 0 -52.39412 0.59200 1.61534 -52.21725 257.58907 2215.0000 22 0 -52.48337 0.67573 1.60042 -52.33443 240.08576 2220.0000 22 0 -52.24777 0.66665 1.60265 -52.31690 244.56736 2225.0000 22 0 -51.85050 0.78647 1.63080 -52.09588 286.03379 2230.0000 22 0 -51.64028 0.80658 1.67324 -51.76268 333.57032 2235.0000 22 0 -51.55128 1.00415 1.69771 -51.57052 376.72165 2240.0000 22 0 -51.83933 0.86472 1.69106 -51.62277 369.62963 2245.0000 22 0 -51.84064 1.02328 1.65234 -51.92678 309.64034 2250.0000 22 0 -51.67214 0.84884 1.66671 -51.81397 325.98113 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.19654 -1.99645 4.60855 force_rgl> df(natom) 0.00000 0.00000 0.00000 2255.0000 23 0 -51.13919 2.45387 2.02995 -51.43262 382.11144 2260.0000 23 0 -53.80686 1.41993 1.86442 -52.77135 528.92075 2265.0000 23 0 -53.93537 1.15126 1.72177 -53.92502 387.49201 2270.0000 23 0 -54.29404 0.94131 1.69060 -54.17716 363.82250 2275.0000 23 0 -54.33481 0.90975 1.66000 -54.42465 316.76042 2280.0000 23 0 -54.33061 0.85664 1.67201 -54.32748 329.59539 2285.0000 23 0 -54.34770 0.95200 1.68010 -54.26207 352.62575 2290.0000 23 0 -54.68149 0.87638 1.65531 -54.46255 306.03267 2295.0000 23 0 -54.67503 0.87790 1.61811 -54.76337 255.68166 2300.0000 23 0 -54.61000 0.76269 1.62405 -54.71540 269.03407 2305.0000 23 0 -54.44454 0.70092 1.63670 -54.61309 284.19915 2310.0000 23 0 -54.43542 1.16968 1.67417 -54.31001 338.45829 2315.0000 23 0 -54.15435 1.12154 1.65756 -54.44435 309.27492 2320.0000 23 0 -54.20056 1.08415 1.70329 -54.07450 369.80442 2325.0000 23 0 -54.68522 0.74361 1.66192 -54.40913 323.28913 2330.0000 23 0 -54.09743 1.19883 1.63821 -54.60083 295.45584 2335.0000 23 0 -54.50165 0.78790 1.65944 -54.42918 322.53752 2340.0000 23 0 -54.26845 0.87539 1.65770 -54.44324 314.22643 2345.0000 23 0 -54.64927 0.94885 1.66149 -54.41253 316.00317 2350.0000 23 0 -54.60448 0.99005 1.64708 -54.52912 297.70737 2355.0000 23 0 -54.60830 0.70818 1.64560 -54.54106 307.75214 2360.0000 23 0 -54.45197 0.89159 1.66116 -54.41520 325.87817 2365.0000 23 0 -54.71422 0.84744 1.64532 -54.54337 301.16418 2370.0000 23 0 -54.23515 1.07083 1.66322 -54.39855 336.46686 2375.0000 23 0 -54.37676 1.02259 1.66507 -54.38360 330.99305 2380.0000 23 0 -54.13793 1.03060 1.69924 -54.10729 378.01605 2385.0000 23 0 -54.37935 1.01238 1.69371 -54.15198 363.43399 2390.0000 23 0 -54.55603 1.03666 1.65969 -54.42716 309.70480 2395.0000 23 0 -54.51169 0.90512 1.65167 -54.49201 312.48636 2400.0000 23 0 -54.58448 0.99378 1.63444 -54.63137 291.22510 2405.0000 23 0 -54.46623 0.90739 1.64370 -54.55643 292.67661 2410.0000 23 0 -54.85207 0.58788 1.63538 -54.62371 283.48929 2415.0000 23 0 -54.75855 0.82386 1.61383 -54.79801 261.20109 2420.0000 23 0 -54.87342 0.70949 1.60968 -54.83157 256.17856 2425.0000 23 0 -54.40013 0.93811 1.64133 -54.57564 298.18053 2430.0000 23 0 -54.23863 1.09784 1.67234 -54.32483 333.51032 2435.0000 23 0 -54.58401 0.84836 1.67159 -54.33086 332.04205 2440.0000 23 0 -54.68496 0.93257 1.63346 -54.63928 279.47369 2445.0000 23 0 -54.37598 0.80510 1.63714 -54.60947 288.30350 2450.0000 23 0 -54.45334 0.84428 1.66956 -54.34733 320.41726 2455.0000 23 0 -54.51297 0.88716 1.65132 -54.49485 311.25501 2460.0000 23 0 -54.40061 0.81052 1.64524 -54.54398 305.01225 2465.0000 23 0 -54.20700 0.89240 1.68448 -54.22666 351.45362 2470.0000 23 0 -54.20338 1.06230 1.68119 -54.25325 343.82606 2475.0000 23 0 -54.24905 0.92788 1.68187 -54.24774 349.30312 2480.0000 23 0 -54.25499 1.01217 1.69541 -54.13826 361.40437 2485.0000 23 0 -54.43661 0.78726 1.68213 -54.24560 344.08235 2490.0000 23 0 -54.21160 1.10136 1.67704 -54.28682 321.42878 2495.0000 23 0 -54.44712 1.01597 1.67349 -54.31551 333.34318 2500.0000 23 0 -54.31281 1.28269 1.67268 -54.32210 341.59761 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.35235 -2.52756 2.72514 force_rgl> df(natom) 0.00000 0.00000 0.00000 2505.0000 24 0 -53.98845 1.31599 1.98632 -54.27319 350.32442 2510.0000 24 0 -55.76733 1.32055 1.87447 -55.20380 547.73475 2515.0000 24 0 -56.35835 1.36920 1.78920 -55.91324 460.11855 2520.0000 24 0 -57.00621 0.74427 1.69120 -56.72862 340.87153 2525.0000 24 0 -56.62146 1.07592 1.68175 -56.80724 319.81544 2530.0000 24 0 -57.05525 0.86937 1.67309 -56.87930 314.67454 2535.0000 24 0 -56.95755 0.91339 1.66367 -56.95771 311.31353 2540.0000 24 0 -56.69905 0.88736 1.68487 -56.78128 327.39998 2545.0000 24 0 -56.80664 0.92228 1.65344 -57.04282 298.17484 2550.0000 24 0 -56.89265 1.00677 1.68889 -56.74787 342.94846 2555.0000 24 0 -57.05341 0.77327 1.67111 -56.89579 309.76305 2560.0000 24 0 -57.15297 0.80208 1.64690 -57.09727 264.87565 2565.0000 24 0 -57.13862 0.65466 1.63223 -57.21930 258.47614 2570.0000 24 0 -56.87012 0.78843 1.66648 -56.93434 303.88574 2575.0000 24 0 -57.22751 0.65919 1.63570 -57.19041 263.16833 2580.0000 24 0 -57.05020 0.73327 1.64219 -57.13645 273.33964 2585.0000 24 0 -57.27221 0.72542 1.65735 -57.01028 288.47066 2590.0000 24 0 -57.27845 0.67946 1.61572 -57.35664 251.08588 2595.0000 24 0 -56.83292 0.77796 1.64730 -57.09394 284.96083 2600.0000 24 0 -56.58009 0.91285 1.70001 -56.65535 341.05715 2605.0000 24 0 -56.35608 1.33593 1.73183 -56.39058 382.97884 2610.0000 24 0 -56.89326 1.00343 1.69948 -56.65976 331.75982 2615.0000 24 0 -57.14876 0.75797 1.66826 -56.91955 297.65045 2620.0000 24 0 -57.00433 0.87726 1.66144 -56.97627 273.97175 2625.0000 24 0 -56.74571 0.96597 1.66346 -56.95942 289.56369 2630.0000 24 0 -56.50756 1.18326 1.69635 -56.68582 334.62598 2635.0000 24 0 -56.90616 0.90975 1.68731 -56.76099 325.53847 2640.0000 24 0 -56.58390 0.86571 1.68338 -56.79368 306.48257 2645.0000 24 0 -57.11570 0.83395 1.69294 -56.71414 323.41331 2650.0000 24 0 -57.06072 0.94874 1.64301 -57.12964 273.27454 2655.0000 24 0 -56.90101 0.96119 1.66241 -56.96815 307.62737 2660.0000 24 0 -57.10394 0.85000 1.68229 -56.80278 334.79532 2665.0000 24 0 -56.92375 1.00273 1.64766 -57.09092 290.70247 2670.0000 24 0 -56.88380 0.86163 1.67047 -56.90110 312.98821 2675.0000 24 0 -57.08421 0.80149 1.67989 -56.82278 336.70560 2680.0000 24 0 -57.18101 0.80683 1.65778 -57.00668 282.37211 2685.0000 24 0 -56.66556 0.93154 1.67928 -56.82783 299.23260 2690.0000 24 0 -56.53909 1.02685 1.67679 -56.84854 295.10267 2695.0000 24 0 -56.82716 0.68254 1.69936 -56.66079 316.32757 2700.0000 24 0 -56.96693 0.73808 1.67433 -56.86900 301.17847 2705.0000 24 0 -56.97588 0.79095 1.65766 -57.00772 273.81985 2710.0000 24 0 -56.86027 0.92516 1.66529 -56.94424 286.76426 2715.0000 24 0 -56.68826 0.87352 1.68402 -56.78835 316.11312 2720.0000 24 0 -56.66887 1.13343 1.70794 -56.58934 342.34814 2725.0000 24 0 -56.76663 0.87717 1.67217 -56.88701 292.41426 2730.0000 24 0 -56.86738 1.00686 1.69416 -56.70404 316.39195 2735.0000 24 0 -56.61804 1.27251 1.69242 -56.71847 338.18416 2740.0000 24 0 -56.75536 0.95440 1.69649 -56.68467 331.95173 2745.0000 24 0 -56.63760 1.01180 1.68953 -56.74253 317.93150 2750.0000 24 0 -56.52586 0.77601 1.70045 -56.65169 321.55218 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.09592 0.25988 -1.27394 force_rgl> df(natom) 0.00000 0.00000 0.00000 2755.0000 25 0 -56.84142 1.43126 1.99182 -56.72021 326.86694 2760.0000 25 0 -58.32362 1.28975 1.86917 -57.76883 498.23039 2765.0000 25 0 -59.00232 1.08768 1.74914 -58.79509 364.75423 2770.0000 25 0 -58.83695 1.08610 1.73144 -58.94637 369.59924 2775.0000 25 0 -59.05223 0.99779 1.72996 -58.95908 375.04504 2780.0000 25 0 -59.37211 0.95996 1.69896 -59.22413 327.07882 2785.0000 25 0 -59.02819 1.01593 1.69530 -59.25542 311.28728 2790.0000 25 0 -59.03453 1.35069 1.69463 -59.26115 309.48785 2795.0000 25 0 -59.42342 0.98226 1.68527 -59.34111 300.74576 2800.0000 25 0 -59.67412 0.91411 1.66775 -59.49096 313.04646 2805.0000 25 0 -59.50436 0.93147 1.63500 -59.77092 267.06697 2810.0000 25 0 -59.78181 0.75718 1.64329 -59.70009 279.36717 2815.0000 25 0 -59.31923 0.96920 1.66349 -59.52740 289.67598 2820.0000 25 0 -59.44569 0.93949 1.68414 -59.35076 340.82656 2825.0000 25 0 -59.01824 1.14073 1.68361 -59.35536 323.76581 2830.0000 25 0 -59.15729 1.16100 1.72949 -58.96304 376.93400 2835.0000 25 0 -59.48302 0.76780 1.68006 -59.38568 311.80864 2840.0000 25 0 -59.58516 0.89944 1.65758 -59.57790 289.80277 2845.0000 25 0 -59.55130 0.79755 1.67022 -59.46981 297.94814 2850.0000 25 0 -59.45334 0.87641 1.66466 -59.51734 304.14167 2855.0000 25 0 -59.23557 1.27001 1.68891 -59.31004 334.81946 2860.0000 25 0 -59.45382 1.09104 1.67622 -59.41852 325.49385 2865.0000 25 0 -59.40396 0.83438 1.68064 -59.38077 320.22894 2870.0000 25 0 -59.46872 0.99726 1.68736 -59.32332 332.62383 2875.0000 25 0 -59.22383 1.11792 1.68858 -59.31286 318.67564 2880.0000 25 0 -59.01808 1.10547 1.71622 -59.07656 361.19359 2885.0000 25 0 -59.26155 1.28539 1.69458 -59.26153 338.75733 2890.0000 25 0 -58.91409 1.09324 1.72297 -59.01878 388.12403 2895.0000 25 0 -59.39743 0.91217 1.70568 -59.16667 364.27204 2900.0000 25 0 -59.64705 0.92744 1.66649 -59.50170 299.95978 2905.0000 25 0 -59.52229 0.97683 1.65004 -59.64236 289.05825 2910.0000 25 0 -59.63556 0.97859 1.66454 -59.51841 311.82075 2915.0000 25 0 -59.37735 1.09443 1.66759 -59.49227 312.61162 2920.0000 25 0 -59.60905 1.06247 1.67943 -59.39108 322.67167 2925.0000 25 0 -59.41450 0.97980 1.67063 -59.46632 311.31338 2930.0000 25 0 -58.96982 1.20707 1.69564 -59.25246 329.95523 2935.0000 25 0 -59.54427 0.88533 1.69742 -59.23723 350.42016 2940.0000 25 0 -59.56261 1.20107 1.66978 -59.47357 307.70550 2945.0000 25 0 -59.01417 1.14949 1.68518 -59.34195 322.41994 2950.0000 25 0 -59.38773 1.00511 1.69562 -59.25264 340.40093 2955.0000 25 0 -59.37436 0.95327 1.68761 -59.32114 340.07330 2960.0000 25 0 -59.68837 0.95108 1.67527 -59.42663 322.62006 2965.0000 25 0 -59.61584 1.01817 1.65529 -59.59747 295.04220 2970.0000 25 0 -59.40950 0.98402 1.65121 -59.63239 279.62779 2975.0000 25 0 -59.77320 0.87177 1.66057 -59.55231 303.46001 2980.0000 25 0 -59.70954 1.10789 1.63547 -59.76690 277.28529 2985.0000 25 0 -59.57381 0.98696 1.63561 -59.76576 266.56210 2990.0000 25 0 -58.90581 1.27851 1.70239 -59.19480 363.12388 2995.0000 25 0 -59.37017 1.04092 1.70469 -59.17515 352.46494 3000.0000 25 0 -59.20889 1.12051 1.67646 -59.41650 317.36445 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.09371 0.09020 -0.11468 force_rgl> df(natom) 0.00000 0.00000 0.00000 3005.0000 26 0 -59.38123 1.19259 1.99476 -59.19320 339.15796 3010.0000 26 0 -60.62236 1.88195 1.87401 -60.25295 518.98413 3015.0000 26 0 -61.03637 1.43056 1.81172 -60.79969 490.54647 3020.0000 26 0 -62.00622 1.07612 1.71096 -61.68399 356.36756 3025.0000 26 0 -61.60701 1.11275 1.70732 -61.71588 354.01151 3030.0000 26 0 -61.55509 1.03225 1.75022 -61.33941 386.02766 3035.0000 26 0 -61.72541 1.14804 1.70358 -61.74875 345.90963 3040.0000 26 0 -62.19235 0.93183 1.67214 -62.02467 305.62812 3045.0000 26 0 -61.52331 1.25471 1.67947 -61.96032 307.23907 3050.0000 26 0 -62.02425 0.92752 1.69777 -61.79975 335.82387 3055.0000 26 0 -62.15656 0.80543 1.65350 -62.18829 288.38286 3060.0000 26 0 -62.00127 0.92819 1.63835 -62.32120 264.17090 3065.0000 26 0 -62.31629 0.80321 1.65859 -62.14361 276.90616 3070.0000 26 0 -61.92655 0.95682 1.66773 -62.06332 298.63219 3075.0000 26 0 -61.87058 1.08872 1.67169 -62.02864 303.51432 3080.0000 26 0 -61.96578 0.91679 1.66939 -62.04875 308.39020 3085.0000 26 0 -62.00079 1.08222 1.68151 -61.94240 313.65951 3090.0000 26 0 -62.14783 0.94642 1.65649 -62.16198 290.35873 3095.0000 26 0 -62.15270 0.90909 1.66335 -62.10181 303.87336 3100.0000 26 0 -62.07075 1.12094 1.67453 -62.00368 320.44277 3105.0000 26 0 -62.00515 0.96244 1.66412 -62.09505 303.44389 3110.0000 26 0 -61.82304 1.10133 1.67890 -61.96532 307.45210 3115.0000 26 0 -61.76687 1.15875 1.69543 -61.82028 331.00423 3120.0000 26 0 -61.38132 1.32928 1.70958 -61.69611 344.54429 3125.0000 26 0 -61.67395 1.20009 1.73958 -61.43275 396.21029 3130.0000 26 0 -62.08130 1.05454 1.69957 -61.78390 347.38712 3135.0000 26 0 -61.97296 0.83270 1.68189 -61.93912 322.59425 3140.0000 26 0 -62.32634 0.72926 1.65100 -62.21018 269.59083 3145.0000 26 0 -62.03544 0.96333 1.66078 -62.12433 288.72388 3150.0000 26 0 -61.87135 1.27369 1.68318 -61.92775 326.33551 3155.0000 26 0 -62.31272 0.74685 1.66783 -62.06252 300.49831 3160.0000 26 0 -61.99573 1.20571 1.66231 -62.11095 282.90412 3165.0000 26 0 -61.83649 0.95114 1.71016 -61.69098 353.51249 3170.0000 26 0 -62.13432 0.97264 1.70175 -61.76479 339.43225 3175.0000 26 0 -61.82030 1.16757 1.69308 -61.84091 335.20780 3180.0000 26 0 -62.41791 0.68507 1.65861 -62.14343 287.57790 3185.0000 26 0 -62.31998 0.74988 1.63719 -62.33137 258.30058 3190.0000 26 0 -61.96342 1.09860 1.66629 -62.07604 295.75967 3195.0000 26 0 -61.97439 1.04612 1.66799 -62.06108 304.29211 3200.0000 26 0 -62.33991 0.88748 1.65852 -62.14420 289.28114 3205.0000 26 0 -61.88007 1.03815 1.66736 -62.06665 299.71536 3210.0000 26 0 -62.19367 1.00868 1.66310 -62.10402 297.90945 3215.0000 26 0 -62.33879 0.74969 1.64586 -62.25528 276.01118 3220.0000 26 0 -62.40559 0.86227 1.63420 -62.35767 271.47026 3225.0000 26 0 -62.21848 0.81324 1.64108 -62.29730 273.25217 3230.0000 26 0 -61.61758 0.93395 1.68158 -61.94181 302.75147 3235.0000 26 0 -61.70833 1.33903 1.73367 -61.48461 381.28261 3240.0000 26 0 -61.87753 0.87942 1.68040 -61.95216 328.48563 3245.0000 26 0 -61.96992 0.93587 1.68412 -61.91948 329.82695 3250.0000 26 0 -62.57210 0.73772 1.62920 -62.40155 252.58299 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.60762 1.01937 -1.87026 force_rgl> df(natom) 0.00000 0.00000 0.00000 3255.0000 27 0 -62.40087 0.92642 1.92890 -62.28992 270.62340 3260.0000 27 0 -64.04033 1.22472 1.80251 -63.42737 452.24938 3265.0000 27 0 -64.20758 1.62394 1.71226 -64.23965 347.69827 3270.0000 27 0 -64.29746 1.38485 1.71243 -64.23809 367.08345 3275.0000 27 0 -64.15343 1.31234 1.70127 -64.33861 332.67761 3280.0000 27 0 -64.35010 1.07463 1.71357 -64.22788 367.59213 3285.0000 27 0 -64.44391 1.03047 1.71432 -64.22108 353.20821 3290.0000 27 0 -63.99306 1.33208 1.71378 -64.22594 359.36829 3295.0000 27 0 -64.54539 1.05843 1.72400 -64.13400 366.78704 3300.0000 27 0 -64.73360 1.12925 1.66136 -64.69776 287.26907 3305.0000 27 0 -64.62191 1.05666 1.67118 -64.60941 311.03172 3310.0000 27 0 -64.48776 1.14312 1.69739 -64.37345 347.82253 3315.0000 27 0 -64.80786 0.75637 1.67810 -64.54713 315.71309 3320.0000 27 0 -64.59223 1.18903 1.66810 -64.63706 298.96718 3325.0000 27 0 -64.37407 1.21694 1.67359 -64.58770 309.45443 3330.0000 27 0 -64.31920 1.06909 1.71349 -64.22861 357.41725 3335.0000 27 0 -64.44402 1.19795 1.67719 -64.55532 310.46240 3340.0000 27 0 -64.51324 1.03494 1.67597 -64.56626 309.69290 3345.0000 27 0 -64.67453 1.27090 1.66344 -64.67902 293.10890 3350.0000 27 0 -64.75914 0.94316 1.65994 -64.71053 293.84221 3355.0000 27 0 -64.44521 0.89211 1.66403 -64.67369 299.94905 3360.0000 27 0 -64.35544 1.02888 1.69750 -64.37252 341.41254 3365.0000 27 0 -64.38071 1.18273 1.70880 -64.27080 342.60385 3370.0000 27 0 -64.26866 1.19468 1.72063 -64.16432 369.79788 3375.0000 27 0 -64.12883 1.48422 1.70541 -64.30135 351.14781 3380.0000 27 0 -63.92782 1.48044 1.73158 -64.06578 388.35637 3385.0000 27 0 -64.37411 1.19536 1.70487 -64.30620 352.22149 3390.0000 27 0 -64.12059 1.19762 1.72693 -64.10763 362.38579 3395.0000 27 0 -64.53860 1.14987 1.71178 -64.24398 356.93964 3400.0000 27 0 -64.46207 1.29457 1.68606 -64.47547 319.47869 3405.0000 27 0 -64.48015 1.01074 1.67406 -64.58348 301.57992 3410.0000 27 0 -64.51437 1.18348 1.69787 -64.36917 334.62084 3415.0000 27 0 -64.28148 1.31387 1.69336 -64.40980 329.00448 3420.0000 27 0 -64.51056 1.05014 1.68868 -64.45187 326.32763 3425.0000 27 0 -64.49135 1.08481 1.67469 -64.57776 309.61241 3430.0000 27 0 -64.73810 0.89297 1.68800 -64.45797 328.80798 3435.0000 27 0 -64.70994 1.08270 1.66253 -64.68723 295.01329 3440.0000 27 0 -64.59951 1.13315 1.65915 -64.71767 291.25633 3445.0000 27 0 -64.58263 1.04363 1.67380 -64.58582 295.68250 3450.0000 27 0 -64.56350 1.10785 1.68238 -64.50861 317.41876 3455.0000 27 0 -64.46834 1.06094 1.68423 -64.49196 310.64174 3460.0000 27 0 -64.39142 1.25274 1.67346 -64.58885 301.23014 3465.0000 27 0 -64.76650 1.22676 1.67273 -64.59545 296.40336 3470.0000 27 0 -64.67219 0.98922 1.67660 -64.56064 318.11136 3475.0000 27 0 -64.57696 0.78635 1.67577 -64.56807 304.35629 3480.0000 27 0 -64.49203 1.12253 1.67930 -64.53626 303.89542 3485.0000 27 0 -64.30367 1.06148 1.69006 -64.43942 322.00162 3490.0000 27 0 -64.20918 1.18114 1.71270 -64.23570 359.48130 3495.0000 27 0 -64.13440 1.30989 1.71899 -64.17909 372.82372 3500.0000 27 0 -64.37446 1.03773 1.67428 -64.58146 306.24738 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.24777 0.94386 -0.14017 force_rgl> df(natom) 0.00000 0.00000 0.00000 3505.0000 28 0 -64.48019 2.83229 1.98567 -64.29035 343.81172 3510.0000 28 0 -66.09991 1.70112 1.86059 -65.44369 510.89538 3515.0000 28 0 -66.50252 1.12579 1.77174 -66.26303 409.80679 3520.0000 28 0 -66.36933 1.18066 1.73940 -66.56119 361.00832 3525.0000 28 0 -66.78156 1.18520 1.74135 -66.54319 359.66590 3530.0000 28 0 -67.53092 0.86121 1.67905 -67.11774 305.91834 3535.0000 28 0 -67.19853 0.78765 1.66303 -67.26546 284.24371 3540.0000 28 0 -66.96239 1.25976 1.70160 -66.90980 337.69872 3545.0000 28 0 -67.01148 1.41811 1.69622 -66.95936 346.74841 3550.0000 28 0 -67.05076 1.20832 1.69688 -66.95329 343.94362 3555.0000 28 0 -67.29315 1.02276 1.64960 -67.38928 287.99103 3560.0000 28 0 -67.65560 0.82939 1.62937 -67.57578 265.91116 3565.0000 28 0 -67.52133 0.96482 1.61346 -67.72245 243.87154 3570.0000 28 0 -67.28997 1.33500 1.65394 -67.34920 286.73470 3575.0000 28 0 -66.59419 1.51938 1.68721 -67.04247 347.43709 3580.0000 28 0 -66.76351 1.21678 1.71759 -66.76233 374.03882 3585.0000 28 0 -66.74695 1.18826 1.69791 -66.94382 349.90591 3590.0000 28 0 -67.05087 1.11409 1.70222 -66.90403 358.52903 3595.0000 28 0 -67.12550 0.93722 1.66374 -67.25889 298.67790 3600.0000 28 0 -66.96922 1.30810 1.67445 -67.16009 293.60230 3605.0000 28 0 -66.85604 1.31185 1.70271 -66.89950 342.50881 3610.0000 28 0 -66.95740 1.18397 1.70007 -66.92385 342.46569 3615.0000 28 0 -67.14672 1.12336 1.69018 -67.01502 335.59977 3620.0000 28 0 -67.21206 1.12784 1.67892 -67.11886 332.80940 3625.0000 28 0 -67.04333 1.41222 1.67878 -67.12018 323.75145 3630.0000 28 0 -67.02221 0.98983 1.71507 -66.78554 372.44425 3635.0000 28 0 -67.20697 1.12356 1.67005 -67.20066 314.24522 3640.0000 28 0 -66.66788 1.21661 1.70275 -66.89914 351.33249 3645.0000 28 0 -67.01560 1.12164 1.70837 -66.84733 370.99270 3650.0000 28 0 -67.26789 0.90439 1.67545 -67.15088 308.98307 3655.0000 28 0 -66.89561 1.15577 1.68118 -67.09810 315.93556 3660.0000 28 0 -66.89482 1.22638 1.72054 -66.73515 372.39397 3665.0000 28 0 -67.09286 1.15649 1.70003 -66.92420 345.11969 3670.0000 28 0 -67.60383 1.08590 1.64828 -67.40146 286.10884 3675.0000 28 0 -67.12667 1.07628 1.62449 -67.62079 255.01781 3680.0000 28 0 -67.26374 1.02030 1.66922 -67.20834 310.48698 3685.0000 28 0 -67.26097 0.98436 1.66385 -67.25783 303.70610 3690.0000 28 0 -66.85688 1.23035 1.71173 -66.81639 367.43024 3695.0000 28 0 -66.97563 1.29694 1.70438 -66.88409 359.99305 3700.0000 28 0 -67.55622 0.84459 1.64702 -67.41300 283.46916 3705.0000 28 0 -67.10160 0.95040 1.65049 -67.38104 288.29209 3710.0000 28 0 -67.36077 0.89169 1.67268 -67.17645 316.58100 3715.0000 28 0 -66.97588 0.94910 1.68131 -67.09684 324.57639 3720.0000 28 0 -67.44432 0.95915 1.69048 -67.01227 340.43727 3725.0000 28 0 -66.58691 1.35776 1.68661 -67.04795 332.76277 3730.0000 28 0 -67.00420 1.25575 1.72472 -66.69655 389.65222 3735.0000 28 0 -66.79310 1.21953 1.70061 -66.91887 340.21504 3740.0000 28 0 -67.14283 1.08595 1.69897 -66.93402 344.54039 3745.0000 28 0 -67.40334 1.01059 1.66063 -67.28758 301.92747 3750.0000 28 0 -67.59397 0.88215 1.63799 -67.49632 276.49604 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.58811 -1.25243 0.18367 force_rgl> df(natom) 0.00000 0.00000 0.00000 3755.0000 29 0 -67.21442 1.16891 1.91442 -67.47955 272.48305 3760.0000 29 0 -68.76093 1.64443 1.87968 -67.80750 527.25878 3765.0000 29 0 -69.00431 1.28554 1.76631 -68.87757 411.69000 3770.0000 29 0 -69.45552 1.25427 1.73782 -69.14649 381.52794 3775.0000 29 0 -69.78301 1.05325 1.68092 -69.68357 310.27048 3780.0000 29 0 -69.91508 1.08660 1.64802 -69.99408 267.67965 3785.0000 29 0 -68.94210 1.20130 1.71517 -69.36028 343.35042 3790.0000 29 0 -69.26680 1.11708 1.74023 -69.12375 383.80466 3795.0000 29 0 -69.48128 1.24355 1.71091 -69.40052 353.25675 3800.0000 29 0 -69.85541 1.28643 1.69409 -69.55924 329.65345 3805.0000 29 0 -69.61781 0.99682 1.66564 -69.82783 301.30884 3810.0000 29 0 -69.95003 1.11256 1.66780 -69.80739 298.84992 3815.0000 29 0 -70.06358 0.88113 1.65843 -69.89589 282.28618 3820.0000 29 0 -69.90873 1.30848 1.64161 -70.05459 260.58341 3825.0000 29 0 -69.58549 1.18062 1.67840 -69.70741 305.44940 3830.0000 29 0 -69.62636 1.13976 1.67502 -69.73924 304.86562 3835.0000 29 0 -69.54873 1.31282 1.67827 -69.70864 311.37673 3840.0000 29 0 -69.81829 1.09961 1.68648 -69.63106 313.90501 3845.0000 29 0 -69.87668 1.13470 1.68205 -69.67289 319.51086 3850.0000 29 0 -69.62703 1.09563 1.66400 -69.84327 286.33235 3855.0000 29 0 -69.61614 1.13817 1.69265 -69.57281 325.73975 3860.0000 29 0 -69.87342 0.86474 1.68960 -69.60167 311.19848 3865.0000 29 0 -69.55532 1.01599 1.69575 -69.54362 318.54201 3870.0000 29 0 -69.68589 1.08643 1.68815 -69.61537 310.10165 3875.0000 29 0 -69.59507 1.31264 1.69200 -69.57895 327.45421 3880.0000 29 0 -69.57848 1.30724 1.69075 -69.59082 317.47910 3885.0000 29 0 -69.38325 1.17484 1.70006 -69.50294 329.53359 3890.0000 29 0 -70.09939 0.97581 1.67310 -69.75739 295.79540 3895.0000 29 0 -70.16959 0.82089 1.63574 -70.11000 250.48406 3900.0000 29 0 -69.85670 0.85255 1.65077 -69.96816 270.97674 3905.0000 29 0 -69.72286 1.05384 1.67355 -69.75311 297.79188 3910.0000 29 0 -69.78057 1.09708 1.67953 -69.69667 308.65325 3915.0000 29 0 -69.83536 1.08635 1.67597 -69.73029 300.17456 3920.0000 29 0 -69.65236 1.16788 1.68619 -69.63379 325.91522 3925.0000 29 0 -69.75733 1.06014 1.69456 -69.55478 330.18877 3930.0000 29 0 -70.09383 1.06026 1.66586 -69.82576 290.79002 3935.0000 29 0 -68.95404 1.37780 1.68937 -69.60384 319.21570 3940.0000 29 0 -69.50230 1.06668 1.72004 -69.31430 357.65918 3945.0000 29 0 -69.92454 0.98889 1.66789 -69.80662 293.58691 3950.0000 29 0 -69.54629 1.23057 1.67287 -69.75956 308.30824 3955.0000 29 0 -69.88292 0.92947 1.68344 -69.65983 326.69710 3960.0000 29 0 -69.49242 1.26282 1.68845 -69.61252 319.11052 3965.0000 29 0 -69.56159 1.24682 1.69291 -69.57036 330.16126 3970.0000 29 0 -69.66153 1.38334 1.69865 -69.51621 323.42847 3975.0000 29 0 -69.63713 0.91065 1.69148 -69.58387 321.62470 3980.0000 29 0 -69.54407 1.14160 1.68982 -69.59961 317.20467 3985.0000 29 0 -69.37254 1.18078 1.72940 -69.22594 363.79353 3990.0000 29 0 -69.84074 0.96747 1.67105 -69.77673 294.42317 3995.0000 29 0 -69.73898 1.11800 1.66094 -69.87221 285.69110 4000.0000 29 0 -69.73460 0.96271 1.67539 -69.73582 300.88810 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.44562 0.36607 -2.09862 force_rgl> df(natom) 0.00000 0.00000 0.00000 4005.0000 30 0 -69.13528 1.97572 1.98700 -69.31570 375.07817 4010.0000 30 0 -71.06259 1.63542 1.90276 -70.12910 526.17119 4015.0000 30 0 -71.55638 1.33234 1.77932 -71.32081 380.95867 4020.0000 30 0 -71.61127 1.15564 1.74956 -71.60823 334.66178 4025.0000 30 0 -71.89834 1.38798 1.72253 -71.86913 306.41576 4030.0000 30 0 -72.21106 1.10615 1.68955 -72.18756 268.76375 4035.0000 30 0 -72.45664 1.04466 1.66069 -72.46621 269.40949 4040.0000 30 0 -72.37394 0.84350 1.66483 -72.42621 283.67254 4045.0000 30 0 -72.26631 1.14530 1.68015 -72.27832 302.19038 4050.0000 30 0 -72.15463 1.05296 1.69520 -72.13298 326.32281 4055.0000 30 0 -71.52824 1.58385 1.73062 -71.79101 347.41952 4060.0000 30 0 -71.98107 1.08771 1.70504 -72.03798 327.63319 4065.0000 30 0 -72.01718 1.23161 1.69205 -72.16346 315.01504 4070.0000 30 0 -72.03209 1.30967 1.71688 -71.92370 356.58705 4075.0000 30 0 -72.59941 1.09965 1.66284 -72.44548 286.18605 4080.0000 30 0 -72.64501 0.77431 1.64886 -72.58043 272.07717 4085.0000 30 0 -72.64126 0.81956 1.65521 -72.51911 279.99711 4090.0000 30 0 -72.46703 0.94356 1.65665 -72.50524 279.35635 4095.0000 30 0 -71.98638 1.49295 1.68375 -72.24356 314.91887 4100.0000 30 0 -71.91605 1.21033 1.72987 -71.79834 372.12573 4105.0000 30 0 -72.13252 1.13899 1.67634 -72.31508 302.11170 4110.0000 30 0 -72.35280 1.10354 1.68605 -72.22136 312.21697 4115.0000 30 0 -72.60637 0.89099 1.65785 -72.49364 279.38659 4120.0000 30 0 -72.42809 0.88802 1.65317 -72.53884 269.52022 4125.0000 30 0 -72.43710 1.10106 1.65510 -72.52019 269.82099 4130.0000 30 0 -72.23036 1.09864 1.67309 -72.34650 293.63408 4135.0000 30 0 -72.24677 1.09779 1.69525 -72.13255 320.91558 4140.0000 30 0 -72.19282 1.02465 1.70269 -72.06075 331.94228 4145.0000 30 0 -72.39871 1.07933 1.68501 -72.23138 312.66097 4150.0000 30 0 -72.46936 1.38713 1.64919 -72.57722 272.56857 4155.0000 30 0 -72.48069 1.09578 1.65451 -72.52587 274.30611 4160.0000 30 0 -72.42713 1.08928 1.66093 -72.46393 269.72935 4165.0000 30 0 -71.84749 1.45491 1.69535 -72.13158 329.71576 4170.0000 30 0 -72.03574 1.28694 1.70714 -72.01777 329.05332 4175.0000 30 0 -72.32397 1.18819 1.69092 -72.17430 308.59443 4180.0000 30 0 -72.22427 1.17860 1.68858 -72.19695 307.79107 4185.0000 30 0 -72.08362 1.18116 1.68086 -72.27144 299.49467 4190.0000 30 0 -72.18808 1.12098 1.71010 -71.98918 346.31505 4195.0000 30 0 -72.23364 1.28649 1.66616 -72.41340 292.46934 4200.0000 30 0 -72.13708 1.14051 1.69853 -72.10092 332.74283 4205.0000 30 0 -72.40265 0.98741 1.69016 -72.18169 316.92149 4210.0000 30 0 -72.57602 0.93510 1.67389 -72.33881 284.72118 4215.0000 30 0 -72.08698 1.44994 1.68254 -72.25521 308.93741 4220.0000 30 0 -72.25506 0.93068 1.67511 -72.32696 298.93960 4225.0000 30 0 -72.30508 0.97642 1.68873 -72.19547 316.40737 4230.0000 30 0 -72.33693 1.40289 1.68307 -72.25016 304.44442 4235.0000 30 0 -71.54971 1.22261 1.70954 -71.99456 338.97869 4240.0000 30 0 -72.15901 1.23339 1.72554 -71.84009 361.23092 4245.0000 30 0 -72.32815 0.97899 1.69106 -72.17302 321.07156 4250.0000 30 0 -71.65168 1.27732 1.71786 -71.91428 349.92187 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.86326 -1.46488 -1.59054 force_rgl> df(natom) 0.00000 0.00000 0.00000 4255.0000 31 0 -72.16195 1.90911 2.00581 -71.65614 411.68400 4260.0000 31 0 -73.95833 1.68596 1.87488 -72.94816 483.84584 4265.0000 31 0 -73.86149 1.74739 1.77734 -73.91073 398.70072 4270.0000 31 0 -74.09615 1.53150 1.77420 -73.94167 390.92310 4275.0000 31 0 -74.59054 1.20223 1.74520 -74.22791 347.96080 4280.0000 31 0 -74.66265 1.26283 1.72910 -74.38677 331.22601 4285.0000 31 0 -74.19963 1.60232 1.70778 -74.59719 313.05422 4290.0000 31 0 -74.78241 1.28289 1.70736 -74.60133 342.43374 4295.0000 31 0 -74.82994 0.90577 1.69564 -74.71694 313.66958 4300.0000 31 0 -74.81196 1.02202 1.69319 -74.74114 312.47671 4305.0000 31 0 -75.09700 1.01644 1.67487 -74.92196 283.40876 4310.0000 31 0 -74.90220 1.04794 1.66768 -74.99290 287.08984 4315.0000 31 0 -74.95039 1.05526 1.66958 -74.97417 292.22462 4320.0000 31 0 -75.05048 1.19623 1.66712 -74.99838 287.27818 4325.0000 31 0 -75.30979 1.10499 1.64054 -75.26070 255.12004 4330.0000 31 0 -75.11520 1.23223 1.66084 -75.06034 279.92585 4335.0000 31 0 -75.09112 1.28521 1.65808 -75.08760 272.76057 4340.0000 31 0 -74.93968 1.00488 1.65978 -75.07084 275.77386 4345.0000 31 0 -75.04374 1.17944 1.68604 -74.81172 308.25910 4350.0000 31 0 -74.54694 1.18487 1.69502 -74.72310 310.11420 4355.0000 31 0 -74.84981 1.27639 1.69599 -74.71355 307.82284 4360.0000 31 0 -74.88193 1.15158 1.69879 -74.68588 310.93931 4365.0000 31 0 -75.03921 1.25700 1.66160 -75.05291 267.62559 4370.0000 31 0 -75.05517 0.97087 1.64760 -75.19102 257.80147 4375.0000 31 0 -74.93690 1.10226 1.66628 -75.00666 278.56460 4380.0000 31 0 -75.08065 1.05658 1.67556 -74.91509 283.83000 4385.0000 31 0 -74.73330 1.15172 1.67648 -74.90608 291.16515 4390.0000 31 0 -74.69082 1.24237 1.69841 -74.68958 321.85340 4395.0000 31 0 -74.37855 1.21108 1.71323 -74.54336 328.76311 4400.0000 31 0 -74.48744 1.26498 1.72139 -74.46285 327.13065 4405.0000 31 0 -74.73299 1.31791 1.70987 -74.57657 317.39529 4410.0000 31 0 -74.66478 1.27908 1.68810 -74.79135 307.63143 4415.0000 31 0 -74.70557 1.36238 1.70218 -74.65247 323.36548 4420.0000 31 0 -74.68922 1.01468 1.69728 -74.70083 319.81358 4425.0000 31 0 -74.72058 1.33791 1.69128 -74.76003 315.13687 4430.0000 31 0 -74.75329 1.18435 1.69597 -74.71370 323.93036 4435.0000 31 0 -74.96135 0.98841 1.67905 -74.88063 299.13783 4440.0000 31 0 -74.89684 1.23731 1.67764 -74.89456 299.72844 4445.0000 31 0 -74.81695 1.16898 1.66048 -75.06392 285.22811 4450.0000 31 0 -75.07426 0.93448 1.67505 -74.92011 295.27809 4455.0000 31 0 -74.66409 1.33970 1.67478 -74.92284 295.80408 4460.0000 31 0 -74.99419 1.11343 1.69985 -74.67538 329.19463 4465.0000 31 0 -74.96896 1.11990 1.68056 -74.86578 305.80007 4470.0000 31 0 -74.89844 1.06941 1.66271 -75.04196 286.17675 4475.0000 31 0 -74.78512 1.20522 1.68389 -74.83288 291.55940 4480.0000 31 0 -74.80525 1.52329 1.69610 -74.71238 317.37261 4485.0000 31 0 -74.39238 1.27822 1.68709 -74.80135 312.49710 4490.0000 31 0 -74.75475 1.03425 1.68898 -74.78272 311.53667 4495.0000 31 0 -74.53519 1.31830 1.71888 -74.48767 343.60567 4500.0000 31 0 -74.38018 1.33168 1.72299 -74.44706 354.14144 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.83356 -1.87663 -0.51341 force_rgl> df(natom) 0.00000 0.00000 0.00000 4505.0000 32 0 -74.42003 1.12422 1.98926 -74.34951 352.47319 4510.0000 32 0 -75.77957 1.34013 1.92202 -75.02726 494.39795 4515.0000 32 0 -76.71950 1.43354 1.80540 -76.20276 408.00221 4520.0000 32 0 -77.05920 1.35113 1.74954 -76.76577 364.94833 4525.0000 32 0 -77.31571 1.11811 1.71054 -77.15884 308.36728 4530.0000 32 0 -77.19233 1.26884 1.69817 -77.28353 295.97076 4535.0000 32 0 -77.15218 1.37041 1.69422 -77.32334 286.12895 4540.0000 32 0 -77.02747 1.34665 1.70949 -77.16941 312.63457 4545.0000 32 0 -77.51237 1.19826 1.70851 -77.17930 325.06917 4550.0000 32 0 -77.39776 1.29494 1.68191 -77.44742 294.89865 4555.0000 32 0 -77.26915 1.20275 1.70639 -77.20070 339.69005 4560.0000 32 0 -77.54408 1.01137 1.68498 -77.41645 302.40941 4565.0000 32 0 -77.55937 1.01102 1.67795 -77.48731 289.11451 4570.0000 32 0 -77.46976 1.18222 1.65967 -77.67162 265.64385 4575.0000 32 0 -77.69681 1.08492 1.65777 -77.69076 273.54343 4580.0000 32 0 -77.87652 0.99180 1.65246 -77.74426 274.91820 4585.0000 32 0 -77.83205 1.20939 1.65225 -77.74636 267.29643 4590.0000 32 0 -77.45023 1.43120 1.66268 -77.64120 276.07275 4595.0000 32 0 -77.12038 1.69356 1.66315 -77.63648 285.12867 4600.0000 32 0 -77.03988 1.67877 1.70414 -77.22339 332.56878 4605.0000 32 0 -77.18904 1.29046 1.71903 -77.07331 353.69947 4610.0000 32 0 -77.76150 1.09524 1.69218 -77.34385 315.75509 4615.0000 32 0 -77.97928 1.01807 1.64265 -77.84311 257.31256 4620.0000 32 0 -77.72872 0.96893 1.64344 -77.83521 254.87849 4625.0000 32 0 -77.56686 1.28637 1.66561 -77.61175 286.30639 4630.0000 32 0 -77.59347 1.35344 1.67865 -77.48025 300.64817 4635.0000 32 0 -77.43825 1.37280 1.67698 -77.49711 298.53602 4640.0000 32 0 -77.84549 1.04203 1.67572 -77.50980 307.31362 4645.0000 32 0 -77.28807 1.18607 1.66435 -77.62444 284.11623 4650.0000 32 0 -77.79428 0.91968 1.66854 -77.58221 289.91753 4655.0000 32 0 -77.89931 0.97739 1.64728 -77.79649 266.18374 4660.0000 32 0 -77.65956 1.07866 1.64220 -77.84768 258.08501 4665.0000 32 0 -77.95365 1.03435 1.66299 -77.63814 284.47201 4670.0000 32 0 -77.45665 1.35465 1.63897 -77.88019 255.21307 4675.0000 32 0 -77.43794 1.46627 1.67537 -77.51333 298.69748 4680.0000 32 0 -77.40110 1.07024 1.66132 -77.65499 282.48803 4685.0000 32 0 -77.16104 0.98706 1.69348 -77.33083 315.25297 4690.0000 32 0 -77.27039 1.38682 1.72335 -77.02973 354.37582 4695.0000 32 0 -77.50071 1.06596 1.68962 -77.36969 318.58353 4700.0000 32 0 -77.09719 1.39721 1.69106 -77.35515 314.72294 4705.0000 32 0 -77.54945 1.40248 1.67565 -77.51054 309.49522 4710.0000 32 0 -77.79236 1.11273 1.67605 -77.50647 299.88652 4715.0000 32 0 -77.24106 1.16210 1.67168 -77.55053 300.52116 4720.0000 32 0 -77.15782 1.30436 1.72843 -76.97848 362.58624 4725.0000 32 0 -77.50045 1.22257 1.69916 -77.27352 326.64462 4730.0000 32 0 -77.62018 1.08831 1.66431 -77.62484 288.99551 4735.0000 32 0 -77.56921 1.20637 1.68754 -77.39067 314.49668 4740.0000 32 0 -77.26688 1.57527 1.68115 -77.45512 307.52271 4745.0000 32 0 -77.11148 1.47080 1.69240 -77.34164 328.59175 4750.0000 32 0 -77.38757 1.46040 1.69694 -77.29594 330.63015 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.96379 0.16763 0.73873 force_rgl> df(natom) 0.00000 0.00000 0.00000 4755.0000 33 0 -77.58608 1.85476 1.94697 -77.31907 336.16686 4760.0000 33 0 -78.52135 1.70778 1.86841 -78.12726 472.69213 4765.0000 33 0 -78.85638 1.69795 1.79297 -78.90347 391.73987 4770.0000 33 0 -79.69667 1.36066 1.74983 -79.34727 346.89757 4775.0000 33 0 -79.78598 1.27755 1.70214 -79.83793 295.92148 4780.0000 33 0 -79.55624 0.98637 1.72693 -79.58288 321.22836 4785.0000 33 0 -79.31661 1.96072 1.73440 -79.50598 341.61434 4790.0000 33 0 -79.65000 1.43345 1.73131 -79.53784 348.96044 4795.0000 33 0 -79.62498 1.26257 1.70223 -79.83699 326.91830 4800.0000 33 0 -80.25442 1.18649 1.68506 -80.01367 299.50698 4805.0000 33 0 -79.98445 1.37346 1.69185 -79.94376 303.69556 4810.0000 33 0 -80.00108 1.24492 1.69415 -79.92015 306.59608 4815.0000 33 0 -79.63874 1.38215 1.70079 -79.85181 321.22068 4820.0000 33 0 -79.25329 1.49796 1.75478 -79.29637 367.79786 4825.0000 33 0 -80.07980 1.16503 1.69189 -79.94333 312.79545 4830.0000 33 0 -80.24209 1.26658 1.67423 -80.12509 292.45298 4835.0000 33 0 -80.35459 1.01039 1.66756 -80.19371 278.92108 4840.0000 33 0 -80.03865 1.38675 1.66938 -80.17498 284.51992 4845.0000 33 0 -80.10239 1.35636 1.68201 -80.04504 312.25632 4850.0000 33 0 -79.96515 1.27194 1.68644 -79.99939 309.48756 4855.0000 33 0 -79.56791 1.27501 1.70791 -79.77852 331.07875 4860.0000 33 0 -79.58957 1.34929 1.70992 -79.75787 336.23030 4865.0000 33 0 -79.62671 1.25266 1.72378 -79.61524 348.08683 4870.0000 33 0 -79.90314 1.24632 1.69936 -79.86648 323.50066 4875.0000 33 0 -79.78718 1.37228 1.70405 -79.81827 330.67284 4880.0000 33 0 -79.29944 1.60504 1.72572 -79.59528 341.24154 4885.0000 33 0 -79.61153 1.32217 1.72834 -79.56834 344.70220 4890.0000 33 0 -79.70043 1.46770 1.69206 -79.94161 301.72151 4895.0000 33 0 -80.18653 1.38918 1.68762 -79.98732 307.42197 4900.0000 33 0 -79.58355 1.54982 1.68107 -80.05474 305.82135 4905.0000 33 0 -79.59345 1.50177 1.71098 -79.74698 333.37728 4910.0000 33 0 -79.70003 1.33527 1.73001 -79.55119 363.71740 4915.0000 33 0 -79.95519 1.36956 1.68120 -80.05340 302.00050 4920.0000 33 0 -79.91652 1.36705 1.67705 -80.09600 293.94091 4925.0000 33 0 -80.13634 1.08472 1.68907 -79.97241 310.22980 4930.0000 33 0 -79.76181 1.32570 1.72735 -79.57856 347.97592 4935.0000 33 0 -80.06266 1.07389 1.70177 -79.84173 319.76372 4940.0000 33 0 -80.00331 1.10304 1.68076 -80.05791 299.62049 4945.0000 33 0 -80.15972 1.20028 1.68019 -80.06372 300.21522 4950.0000 33 0 -80.05243 1.28878 1.68635 -80.00040 302.06208 4955.0000 33 0 -80.57364 0.90429 1.65509 -80.32200 266.81274 4960.0000 33 0 -80.44983 1.08145 1.61977 -80.68539 227.37074 4965.0000 33 0 -80.05937 1.27160 1.67195 -80.14854 290.82995 4970.0000 33 0 -79.96316 1.04044 1.67726 -80.09394 299.83788 4975.0000 33 0 -79.95445 1.45973 1.67434 -80.12394 291.55800 4980.0000 33 0 -80.28897 1.13549 1.67763 -80.09010 292.00988 4985.0000 33 0 -80.03369 1.35649 1.66701 -80.19934 285.10178 4990.0000 33 0 -80.01883 1.31722 1.66270 -80.24364 278.81387 4995.0000 33 0 -79.89676 1.22565 1.68552 -80.00894 306.32418 5000.0000 33 0 -79.77741 1.37290 1.70292 -79.82990 318.76793 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.12534 -1.42309 -2.44526 force_rgl> df(natom) 0.00000 0.00000 0.00000 5005.0000 34 0 -79.75491 1.55237 1.96836 -79.64189 347.39677 5010.0000 34 0 -82.00497 1.56024 1.84915 -80.89303 454.61592 5015.0000 34 0 -82.21900 1.67384 1.73009 -82.14254 329.34482 5020.0000 34 0 -82.42849 1.21280 1.71402 -82.31120 309.24052 5025.0000 34 0 -82.58566 1.18764 1.70872 -82.36682 309.28841 5030.0000 34 0 -82.87750 1.26472 1.67362 -82.73524 283.87682 5035.0000 34 0 -82.69402 1.09030 1.67715 -82.69812 279.47271 5040.0000 34 0 -82.34550 1.47843 1.71681 -82.28190 331.40348 5045.0000 34 0 -82.19973 1.47380 1.70963 -82.35731 321.02959 5050.0000 34 0 -82.20070 1.60565 1.70261 -82.43092 317.44893 5055.0000 34 0 -82.20538 1.49217 1.72781 -82.16652 346.34017 5060.0000 34 0 -82.21963 1.62374 1.71698 -82.28014 333.45161 5065.0000 34 0 -82.31072 1.43078 1.72686 -82.17641 349.44393 5070.0000 34 0 -82.42753 1.31003 1.71472 -82.30384 324.20565 5075.0000 34 0 -82.69076 1.04399 1.68296 -82.63720 289.06384 5080.0000 34 0 -82.59401 0.97123 1.67811 -82.68809 278.33869 5085.0000 34 0 -82.30080 1.60579 1.70179 -82.43955 313.35683 5090.0000 34 0 -82.03417 1.54480 1.72663 -82.17889 347.07574 5095.0000 34 0 -81.49592 1.58295 1.76383 -81.78850 394.69534 5100.0000 34 0 -82.08979 1.29759 1.76584 -81.76734 385.82133 5105.0000 34 0 -82.06026 1.73188 1.73931 -82.04583 353.07153 5110.0000 34 0 -82.04553 1.30891 1.72955 -82.14818 349.31468 5115.0000 34 0 -82.41680 1.30811 1.70195 -82.43793 314.72093 5120.0000 34 0 -82.45929 1.28606 1.71051 -82.34809 315.88525 5125.0000 34 0 -82.51727 1.14476 1.69158 -82.54675 298.22904 5130.0000 34 0 -82.39858 1.37368 1.71773 -82.27229 322.75110 5135.0000 34 0 -82.39696 1.39257 1.69584 -82.50206 292.62516 5140.0000 34 0 -82.22343 1.15772 1.70242 -82.43294 303.84009 5145.0000 34 0 -82.39665 1.25947 1.71278 -82.32421 326.03791 5150.0000 34 0 -81.98800 1.35520 1.74564 -81.97933 349.31082 5155.0000 34 0 -82.57152 1.34561 1.71279 -82.32414 317.76883 5160.0000 34 0 -82.35260 1.41932 1.70833 -82.37093 310.91597 5165.0000 34 0 -82.60159 1.15912 1.70900 -82.36388 301.93043 5170.0000 34 0 -82.33746 1.36257 1.67433 -82.72776 272.08055 5175.0000 34 0 -82.21708 1.74120 1.72107 -82.23720 330.55168 5180.0000 34 0 -82.00539 1.57843 1.72788 -82.16572 338.20055 5185.0000 34 0 -82.81151 1.14706 1.70878 -82.36624 309.89092 5190.0000 34 0 -82.61895 1.10889 1.68470 -82.61889 285.72223 5195.0000 34 0 -83.11691 1.04649 1.66707 -82.80391 281.67600 5200.0000 34 0 -82.95710 1.27176 1.64707 -83.01388 249.20741 5205.0000 34 0 -83.02448 0.92656 1.65887 -82.89003 270.90987 5210.0000 34 0 -82.65072 1.34707 1.66001 -82.87801 269.40362 5215.0000 34 0 -83.03718 1.13353 1.65711 -82.90849 267.85050 5220.0000 34 0 -82.29966 1.29348 1.67174 -82.75494 285.34271 5225.0000 34 0 -82.67455 1.16945 1.68529 -82.61276 291.83067 5230.0000 34 0 -82.74625 1.29364 1.68276 -82.63924 299.53639 5235.0000 34 0 -82.87734 1.07232 1.65763 -82.90307 264.50408 5240.0000 34 0 -83.24499 0.86415 1.64910 -82.99252 250.42946 5245.0000 34 0 -83.03600 1.13036 1.66026 -82.87539 268.54046 5250.0000 34 0 -82.44382 1.60527 1.66999 -82.77335 281.93700 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.79444 -0.31906 1.63674 force_rgl> df(natom) 0.00000 0.00000 0.00000 5255.0000 35 0 -82.58326 2.04340 1.94649 -82.42280 338.58385 5260.0000 35 0 -84.10691 1.30420 1.85641 -83.38669 461.27787 5265.0000 35 0 -84.42842 2.00503 1.75126 -84.51169 366.73413 5270.0000 35 0 -85.09369 1.29679 1.73769 -84.65694 368.85693 5275.0000 35 0 -85.13109 1.36845 1.69667 -85.09587 312.65686 5280.0000 35 0 -84.69932 1.70522 1.71461 -84.90387 323.98194 5285.0000 35 0 -85.35180 1.32418 1.68450 -85.22607 289.75871 5290.0000 35 0 -85.45754 1.08543 1.69690 -85.09341 296.97784 5295.0000 35 0 -84.99830 1.55139 1.68993 -85.16799 294.73401 5300.0000 35 0 -85.09863 1.38581 1.70914 -84.96241 314.11890 5305.0000 35 0 -85.40782 1.17310 1.67501 -85.32759 283.02368 5310.0000 35 0 -85.35734 1.21452 1.66643 -85.41939 270.03185 5315.0000 35 0 -85.48772 1.18475 1.66678 -85.41569 272.45755 5320.0000 35 0 -85.06921 1.40756 1.68381 -85.23346 293.95072 5325.0000 35 0 -85.09383 1.33589 1.68391 -85.23242 288.35220 5330.0000 35 0 -85.29532 1.30404 1.68872 -85.18089 281.95549 5335.0000 35 0 -85.03599 1.53202 1.67667 -85.30988 289.10047 5340.0000 35 0 -85.28563 1.21761 1.68749 -85.19402 292.91502 5345.0000 35 0 -85.57547 1.15571 1.66698 -85.41356 268.02772 5350.0000 35 0 -85.08818 1.06381 1.69136 -85.15266 297.76708 5355.0000 35 0 -85.52847 1.01904 1.66918 -85.38994 270.87744 5360.0000 35 0 -84.89034 1.67003 1.66958 -85.38571 273.82370 5365.0000 35 0 -85.17780 1.20655 1.68686 -85.20077 304.47210 5370.0000 35 0 -85.63999 1.06184 1.67217 -85.35798 282.56535 5375.0000 35 0 -85.46315 1.33924 1.64780 -85.61878 256.31038 5380.0000 35 0 -85.26791 1.30227 1.67453 -85.33269 285.30566 5385.0000 35 0 -85.41993 1.22635 1.67605 -85.31642 283.03779 5390.0000 35 0 -85.30652 1.32712 1.65974 -85.49101 265.37819 5395.0000 35 0 -85.18367 1.41530 1.66621 -85.42172 275.43350 5400.0000 35 0 -84.81876 1.18617 1.71554 -84.89396 314.80295 5405.0000 35 0 -84.86564 1.29428 1.71614 -84.88756 311.76815 5410.0000 35 0 -85.28439 1.01663 1.70224 -85.03621 303.25752 5415.0000 35 0 -84.79515 1.14214 1.69242 -85.14137 292.92850 5420.0000 35 0 -84.17248 1.83508 1.75877 -84.43137 357.90569 5425.0000 35 0 -84.68008 1.63582 1.75211 -84.50260 363.74530 5430.0000 35 0 -84.83971 1.71629 1.71769 -84.87090 322.04851 5435.0000 35 0 -84.70493 1.30646 1.73837 -84.64967 351.29212 5440.0000 35 0 -85.03959 0.98591 1.72018 -84.84431 319.45866 5445.0000 35 0 -85.40129 1.26113 1.68577 -85.21249 279.27209 5450.0000 35 0 -84.83174 1.51220 1.70987 -84.95457 307.15398 5455.0000 35 0 -85.19686 1.14830 1.71031 -84.94991 315.26515 5460.0000 35 0 -85.20697 1.40338 1.69712 -85.09098 296.12452 5465.0000 35 0 -85.02019 1.30260 1.68884 -85.17968 291.48495 5470.0000 35 0 -84.97511 1.27774 1.70493 -85.00742 300.54683 5475.0000 35 0 -84.87173 1.27072 1.72498 -84.79298 316.41273 5480.0000 35 0 -85.00981 1.21179 1.71810 -84.86650 296.37122 5485.0000 35 0 -84.67249 1.57020 1.73276 -84.70970 335.54394 5490.0000 35 0 -85.02276 1.45621 1.71593 -84.88974 327.07711 5495.0000 35 0 -84.94257 1.45023 1.71551 -84.89423 331.17163 5500.0000 35 0 -84.80712 1.58271 1.70908 -84.96305 322.04025 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.98675 -3.15896 0.57433 force_rgl> df(natom) 0.00000 0.00000 0.00000 5505.0000 36 0 -84.77905 1.91879 1.95727 -84.86042 338.01393 5510.0000 36 0 -86.82582 1.86358 1.84082 -86.13007 417.02888 5515.0000 36 0 -86.71526 1.96910 1.76748 -86.92969 345.02146 5520.0000 36 0 -86.98405 1.40026 1.76686 -86.93646 372.34688 5525.0000 36 0 -87.16253 1.71031 1.73454 -87.28877 320.68578 5530.0000 36 0 -87.24925 1.60571 1.71496 -87.50226 306.30334 5535.0000 36 0 -87.64632 1.33941 1.72489 -87.39395 323.63294 5540.0000 36 0 -87.70171 0.84474 1.69371 -87.73392 282.89833 5545.0000 36 0 -87.71692 1.37792 1.70484 -87.61259 309.18250 5550.0000 36 0 -87.40712 1.40349 1.71142 -87.54089 312.85420 5555.0000 36 0 -87.42604 1.49024 1.71692 -87.48091 319.40086 5560.0000 36 0 -87.32438 1.70556 1.71108 -87.54460 318.27317 5565.0000 36 0 -87.31029 1.53622 1.72275 -87.41737 323.92771 5570.0000 36 0 -87.82945 1.20332 1.71242 -87.52999 301.38376 5575.0000 36 0 -87.55461 1.33707 1.68250 -87.85616 271.10246 5580.0000 36 0 -87.40178 1.33860 1.73204 -87.31601 332.54337 5585.0000 36 0 -87.92942 1.10952 1.70230 -87.64033 313.22481 5590.0000 36 0 -87.48702 1.47403 1.68315 -87.84913 281.63016 5595.0000 36 0 -87.85556 1.33105 1.68448 -87.83455 277.61321 5600.0000 36 0 -87.88275 1.31518 1.69021 -87.77206 287.83066 5605.0000 36 0 -87.47707 1.53852 1.69474 -87.72272 301.47277 5610.0000 36 0 -87.56185 1.46484 1.71894 -87.45888 329.33069 5615.0000 36 0 -87.55951 1.50867 1.68681 -87.80918 281.21173 5620.0000 36 0 -87.66627 1.53527 1.70441 -87.61724 306.55328 5625.0000 36 0 -87.75021 1.08119 1.69026 -87.77160 297.92832 5630.0000 36 0 -87.50052 1.43167 1.70298 -87.63285 311.12222 5635.0000 36 0 -86.94630 1.50125 1.73142 -87.32284 347.23260 5640.0000 36 0 -87.70922 1.32412 1.72420 -87.40148 328.15274 5645.0000 36 0 -87.89383 1.20288 1.69424 -87.72822 293.85541 5650.0000 36 0 -87.32128 1.46428 1.69533 -87.71627 281.32501 5655.0000 36 0 -87.43932 1.61532 1.71449 -87.50741 319.97330 5660.0000 36 0 -87.82636 1.32419 1.71555 -87.49583 309.30540 5665.0000 36 0 -87.63182 1.64473 1.68502 -87.82871 295.64405 5670.0000 36 0 -87.12315 1.81420 1.69887 -87.67764 305.58246 5675.0000 36 0 -87.48719 1.43641 1.72015 -87.44571 327.01278 5680.0000 36 0 -87.43944 1.50196 1.72751 -87.36546 326.27245 5685.0000 36 0 -87.52844 1.71075 1.72985 -87.33997 334.64060 5690.0000 36 0 -87.49649 1.34465 1.71504 -87.50140 317.64715 5695.0000 36 0 -87.69881 1.54847 1.68748 -87.80182 289.74420 5700.0000 36 0 -87.69628 1.49741 1.68598 -87.81819 298.49809 5705.0000 36 0 -87.89284 1.28410 1.69063 -87.76756 290.84413 5710.0000 36 0 -88.07127 1.00566 1.67101 -87.98145 270.21707 5715.0000 36 0 -87.85466 0.95175 1.66722 -88.02277 262.47630 5720.0000 36 0 -87.66035 1.20708 1.72596 -87.38238 331.51630 5725.0000 36 0 -87.38818 1.44231 1.68315 -87.84904 271.43909 5730.0000 36 0 -87.21381 1.63369 1.73148 -87.32219 330.95828 5735.0000 36 0 -87.75728 1.33728 1.72436 -87.39983 306.77416 5740.0000 36 0 -87.61372 1.25980 1.69180 -87.75475 289.53070 5745.0000 36 0 -87.61768 1.29840 1.70606 -87.59925 319.92935 5750.0000 36 0 -87.61126 1.51237 1.70447 -87.61666 311.33012 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.52605 -1.02616 -2.27801 force_rgl> df(natom) 0.00000 0.00000 0.00000 5755.0000 37 0 -87.89307 3.20617 1.92698 -87.75341 303.98657 5760.0000 37 0 -89.54940 1.73778 1.82792 -88.85326 416.19096 5765.0000 37 0 -90.60010 1.24500 1.70817 -90.18299 299.99391 5770.0000 37 0 -89.99499 1.51389 1.69131 -90.37019 283.05530 5775.0000 37 0 -90.49489 1.03173 1.70084 -90.26437 293.77174 5780.0000 37 0 -90.36471 1.19275 1.69894 -90.28552 287.49592 5785.0000 37 0 -90.33745 1.46165 1.70093 -90.26334 293.22809 5790.0000 37 0 -90.25122 1.17370 1.71539 -90.10278 308.17647 5795.0000 37 0 -90.01536 1.35799 1.71064 -90.15553 306.03920 5800.0000 37 0 -89.97660 1.50812 1.72248 -90.02407 315.10585 5805.0000 37 0 -89.86455 1.57705 1.72959 -89.94510 320.90183 5810.0000 37 0 -90.43042 1.33289 1.70692 -90.19684 293.19386 5815.0000 37 0 -89.77144 1.50967 1.70621 -90.20472 296.75765 5820.0000 37 0 -90.08766 1.26340 1.73210 -89.91726 329.61318 5825.0000 37 0 -90.20051 1.53772 1.70239 -90.24719 296.93499 5830.0000 37 0 -90.76511 1.16632 1.67662 -90.53330 277.31128 5835.0000 37 0 -90.16159 1.53647 1.68999 -90.38484 286.99707 5840.0000 37 0 -90.27430 1.47312 1.70726 -90.19312 305.48425 5845.0000 37 0 -89.84983 1.70967 1.72828 -89.95969 333.72635 5850.0000 37 0 -90.23504 1.62225 1.71452 -90.11247 322.07130 5855.0000 37 0 -90.24364 1.58805 1.71502 -90.10689 321.64705 5860.0000 37 0 -90.52046 1.21852 1.70035 -90.26983 306.74434 5865.0000 37 0 -90.74642 1.13413 1.67940 -90.50243 283.75804 5870.0000 37 0 -90.41929 1.29159 1.66984 -90.60863 271.20752 5875.0000 37 0 -89.73395 1.39486 1.70950 -90.16822 316.49414 5880.0000 37 0 -89.76135 1.56843 1.76073 -89.59943 375.50014 5885.0000 37 0 -90.40729 1.21898 1.72027 -90.04861 334.21384 5890.0000 37 0 -90.28209 1.56539 1.67935 -90.50297 296.53430 5895.0000 37 0 -90.07657 1.43071 1.69870 -90.28809 305.04085 5900.0000 37 0 -90.35538 1.27243 1.70561 -90.21143 305.88361 5905.0000 37 0 -90.63165 1.21095 1.68635 -90.42523 293.42391 5910.0000 37 0 -90.61273 1.39798 1.67007 -90.60603 267.72278 5915.0000 37 0 -89.78515 1.55903 1.69810 -90.29475 303.52697 5920.0000 37 0 -89.83709 1.90162 1.73502 -89.88481 343.30924 5925.0000 37 0 -90.12563 1.61117 1.72664 -89.97793 334.82714 5930.0000 37 0 -90.44967 1.53000 1.68497 -90.44064 285.91447 5935.0000 37 0 -90.15979 1.30394 1.69731 -90.30362 300.13276 5940.0000 37 0 -90.43411 1.52422 1.72329 -90.01513 330.70527 5945.0000 37 0 -90.33038 1.61143 1.70971 -90.16587 311.12967 5950.0000 37 0 -90.22258 1.39735 1.70015 -90.27199 305.63943 5955.0000 37 0 -90.30570 1.32719 1.71122 -90.14914 305.83683 5960.0000 37 0 -90.54506 1.16927 1.68941 -90.39127 282.47959 5965.0000 37 0 -90.32435 1.43323 1.68698 -90.41824 274.92195 5970.0000 37 0 -90.69493 1.29015 1.67788 -90.51937 266.58488 5975.0000 37 0 -90.17003 1.27248 1.72050 -90.04603 315.40691 5980.0000 37 0 -90.51684 1.20664 1.70122 -90.26012 300.29124 5985.0000 37 0 -90.68558 1.09967 1.67335 -90.56958 268.34747 5990.0000 37 0 -90.38302 1.61207 1.69516 -90.32744 296.33119 5995.0000 37 0 -90.33319 1.25572 1.70390 -90.23037 308.40971 6000.0000 37 0 -90.29389 1.45850 1.70219 -90.24937 310.80190 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.39146 1.45704 -2.56150 force_rgl> df(natom) 0.00000 0.00000 0.00000 6005.0000 38 0 -90.26951 2.88470 1.94317 -90.13658 333.44666 6010.0000 38 0 -91.63144 2.15263 1.87400 -90.91841 461.48721 6015.0000 38 0 -92.20655 1.83956 1.75889 -92.21946 370.68052 6020.0000 38 0 -92.79914 1.41200 1.72009 -92.65804 321.54304 6025.0000 38 0 -92.80337 1.64013 1.69760 -92.91219 302.22748 6030.0000 38 0 -92.22346 1.89724 1.71202 -92.74920 312.01035 6035.0000 38 0 -92.79953 1.22010 1.73805 -92.45508 352.12452 6040.0000 38 0 -92.81900 1.23570 1.70258 -92.85599 300.52531 6045.0000 38 0 -92.62821 1.51774 1.71053 -92.76606 310.66644 6050.0000 38 0 -93.02278 1.23709 1.72011 -92.65782 332.65666 6055.0000 38 0 -93.07049 1.38856 1.67999 -93.11125 279.58139 6060.0000 38 0 -93.39198 1.44405 1.67440 -93.17451 275.11974 6065.0000 38 0 -93.04743 1.61499 1.67838 -93.12945 279.56957 6070.0000 38 0 -93.23062 1.19924 1.67200 -93.20153 280.34632 6075.0000 38 0 -92.99333 1.25000 1.66492 -93.28158 269.30042 6080.0000 38 0 -92.65171 1.59579 1.70311 -92.84998 312.03418 6085.0000 38 0 -92.83129 1.38297 1.70339 -92.84677 303.95909 6090.0000 38 0 -92.75065 1.67968 1.70484 -92.83044 302.63872 6095.0000 38 0 -93.03451 1.38316 1.69440 -92.94840 298.34052 6100.0000 38 0 -93.05886 1.46245 1.68705 -93.03148 284.25984 6105.0000 38 0 -92.93290 1.56543 1.71520 -92.71328 317.97496 6110.0000 38 0 -92.69872 1.58643 1.71844 -92.67668 323.22443 6115.0000 38 0 -92.75253 1.23611 1.72853 -92.56263 344.24789 6120.0000 38 0 -92.42034 1.62581 1.74282 -92.40110 352.72746 6125.0000 38 0 -93.12327 1.34986 1.71232 -92.74581 315.14976 6130.0000 38 0 -93.15870 1.28231 1.66227 -93.31158 262.29464 6135.0000 38 0 -92.71812 1.58307 1.69410 -92.95184 294.23558 6140.0000 38 0 -93.15557 1.28327 1.70572 -92.82050 309.30211 6145.0000 38 0 -92.83679 1.61304 1.67815 -93.13202 273.70105 6150.0000 38 0 -92.91208 1.51605 1.69727 -92.91601 303.72892 6155.0000 38 0 -93.18500 1.41572 1.68471 -93.05788 285.59974 6160.0000 38 0 -93.19579 1.50513 1.67932 -93.11883 284.13723 6165.0000 38 0 -93.13707 1.33773 1.68687 -93.03352 297.07715 6170.0000 38 0 -93.20196 1.19288 1.67532 -93.16411 268.77954 6175.0000 38 0 -93.15561 1.30916 1.67395 -93.17953 261.22817 6180.0000 38 0 -93.01065 1.17250 1.68610 -93.04220 270.07010 6185.0000 38 0 -93.20439 1.28521 1.68273 -93.08028 277.52037 6190.0000 38 0 -92.59266 1.63831 1.68738 -93.02778 281.09839 6195.0000 38 0 -92.61869 1.53371 1.71323 -92.73557 306.98583 6200.0000 38 0 -92.71916 1.31468 1.72523 -92.59989 322.97533 6205.0000 38 0 -92.20917 1.70459 1.72319 -92.62304 316.77215 6210.0000 38 0 -93.05400 1.22680 1.70916 -92.78162 304.26056 6215.0000 38 0 -92.45946 1.64412 1.70959 -92.77673 304.59936 6220.0000 38 0 -92.87769 1.44418 1.71350 -92.73253 307.61231 6225.0000 38 0 -92.38613 1.39253 1.73605 -92.47762 323.86011 6230.0000 38 0 -92.59462 1.53737 1.74102 -92.42145 341.20157 6235.0000 38 0 -92.23858 1.70683 1.72561 -92.59565 318.98362 6240.0000 38 0 -92.70068 1.59529 1.73287 -92.51363 327.61402 6245.0000 38 0 -92.65149 1.70348 1.71286 -92.73978 312.65252 6250.0000 38 0 -92.67169 1.44615 1.72109 -92.64677 311.16849 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.95319 0.63852 3.57094 force_rgl> df(natom) 0.00000 0.00000 0.00000 6255.0000 39 0 -92.23592 3.31266 1.95745 -92.53868 327.87167 6260.0000 39 0 -94.09062 1.82067 1.89391 -93.26943 436.93371 6265.0000 39 0 -94.31067 2.04876 1.80160 -94.33108 365.97048 6270.0000 39 0 -95.33053 1.62978 1.75332 -94.88624 342.80388 6275.0000 39 0 -95.25242 1.48974 1.71463 -95.33127 306.31337 6280.0000 39 0 -95.56299 1.31498 1.70445 -95.44825 289.96290 6285.0000 39 0 -95.07385 1.52086 1.72741 -95.18423 308.89849 6290.0000 39 0 -95.19442 1.64071 1.72785 -95.17915 316.46582 6295.0000 39 0 -94.88183 1.46163 1.74229 -95.01306 326.76848 6300.0000 39 0 -95.19438 1.50690 1.72522 -95.20946 318.72847 6305.0000 39 0 -95.21643 1.46098 1.70085 -95.48972 283.02789 6310.0000 39 0 -94.84693 1.92356 1.73421 -95.10607 332.81303 6315.0000 39 0 -94.98274 2.01240 1.74897 -94.93627 368.34405 6320.0000 39 0 -95.31994 1.50423 1.74029 -95.03614 363.19751 6325.0000 39 0 -95.68921 1.71374 1.69885 -95.51269 320.90364 6330.0000 39 0 -95.90292 1.42981 1.66493 -95.90282 280.21527 6335.0000 39 0 -95.59118 1.72315 1.67825 -95.74965 294.35772 6340.0000 39 0 -95.80883 1.32576 1.69609 -95.54437 305.48734 6345.0000 39 0 -95.62088 1.30704 1.69964 -95.50355 316.01741 6350.0000 39 0 -95.32434 1.45363 1.71325 -95.34708 330.42754 6355.0000 39 0 -95.50896 1.73204 1.72913 -95.16447 349.92110 6360.0000 39 0 -95.60095 1.65223 1.68205 -95.70590 300.70490 6365.0000 39 0 -95.41732 1.82507 1.68304 -95.69448 292.25049 6370.0000 39 0 -95.33217 1.70754 1.71352 -95.34397 332.78963 6375.0000 39 0 -95.21390 1.42571 1.71718 -95.30190 333.04104 6380.0000 39 0 -95.98020 1.37129 1.68220 -95.70413 299.86021 6385.0000 39 0 -95.72729 1.30405 1.66428 -95.91029 277.67455 6390.0000 39 0 -95.67481 1.49106 1.68488 -95.67330 299.72008 6395.0000 39 0 -95.81297 1.29895 1.68290 -95.69607 289.74733 6400.0000 39 0 -95.66749 1.63545 1.68655 -95.65419 301.93996 6405.0000 39 0 -95.96825 1.40466 1.66511 -95.90072 278.32998 6410.0000 39 0 -96.15252 1.21201 1.64889 -96.08728 252.53572 6415.0000 39 0 -95.59869 1.60472 1.67199 -95.82159 281.51312 6420.0000 39 0 -95.60541 1.56047 1.68810 -95.63627 299.91028 6425.0000 39 0 -95.73367 1.28814 1.68646 -95.65522 305.27508 6430.0000 39 0 -95.70016 1.48581 1.67759 -95.75715 290.35220 6435.0000 39 0 -95.98274 1.12987 1.68327 -95.69182 302.08262 6440.0000 39 0 -96.05215 1.21679 1.65282 -96.04201 263.68386 6445.0000 39 0 -95.62874 1.06014 1.68427 -95.68037 297.46670 6450.0000 39 0 -95.58790 1.30619 1.68935 -95.62192 308.92203 6455.0000 39 0 -95.67403 1.67319 1.67232 -95.81778 291.06928 6460.0000 39 0 -95.71932 1.34556 1.70050 -95.49374 319.75052 6465.0000 39 0 -96.10709 1.25016 1.66342 -95.92017 278.65339 6470.0000 39 0 -95.18602 1.93428 1.70102 -95.48777 320.47034 6475.0000 39 0 -95.50620 1.41626 1.70530 -95.43847 315.97357 6480.0000 39 0 -95.48405 1.78769 1.69713 -95.53243 314.38795 6485.0000 39 0 -95.31807 1.59156 1.69375 -95.57138 301.11888 6490.0000 39 0 -95.59289 1.64856 1.69448 -95.56296 317.83833 6495.0000 39 0 -95.94920 1.39068 1.66855 -95.86110 281.49515 6500.0000 39 0 -95.76830 1.59444 1.66461 -95.90647 276.63362 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.75585 -0.34006 0.14397 force_rgl> df(natom) 0.00000 0.00000 0.00000 6505.0000 40 0 -95.63306 2.30435 1.90985 -95.66221 304.19946 6510.0000 40 0 -96.79626 1.91757 1.86626 -96.17214 434.77978 6515.0000 40 0 -97.42559 1.82356 1.78018 -97.17883 353.94674 6520.0000 40 0 -97.05876 1.61789 1.78130 -97.16583 348.09053 6525.0000 40 0 -97.30632 1.55373 1.77802 -97.20418 330.86660 6530.0000 40 0 -97.53095 1.57635 1.74906 -97.54290 312.71788 6535.0000 40 0 -96.94481 1.80130 1.77832 -97.20066 337.86424 6540.0000 40 0 -97.26633 1.81816 1.80731 -96.86155 384.73852 6545.0000 40 0 -98.09135 1.66736 1.72938 -97.77304 324.37913 6550.0000 40 0 -98.45844 1.37901 1.71996 -97.88322 323.45682 6555.0000 40 0 -98.56541 1.32507 1.67219 -98.44199 274.85905 6560.0000 40 0 -98.45941 1.26621 1.65777 -98.61061 257.28418 6565.0000 40 0 -98.52927 1.41487 1.69386 -98.18851 299.16687 6570.0000 40 0 -98.31129 1.65497 1.68577 -98.28308 292.93375 6575.0000 40 0 -98.16214 1.41456 1.69508 -98.17418 304.61101 6580.0000 40 0 -98.21533 1.41880 1.71434 -97.94896 317.47181 6585.0000 40 0 -97.68202 1.65580 1.69876 -98.13117 304.00531 6590.0000 40 0 -97.99932 1.70100 1.72436 -97.83175 334.14410 6595.0000 40 0 -97.72907 1.43375 1.72735 -97.79680 330.38779 6600.0000 40 0 -98.08268 1.49060 1.71142 -97.98315 317.57629 6605.0000 40 0 -97.99164 1.67137 1.70245 -98.08803 301.88759 6610.0000 40 0 -98.16195 1.35872 1.69520 -98.17280 292.70234 6615.0000 40 0 -97.87114 1.67639 1.69688 -98.15319 301.92895 6620.0000 40 0 -97.95935 1.72196 1.73011 -97.76454 341.48668 6625.0000 40 0 -98.00472 1.78305 1.69996 -98.11718 298.81886 6630.0000 40 0 -97.95466 1.66416 1.70288 -98.08297 299.70955 6635.0000 40 0 -97.89622 1.96493 1.71992 -97.88365 324.88624 6640.0000 40 0 -98.03111 1.74929 1.70820 -98.02078 321.92485 6645.0000 40 0 -97.89078 1.47537 1.70316 -98.07970 306.78107 6650.0000 40 0 -97.71784 1.65914 1.71102 -97.98782 306.06604 6655.0000 40 0 -98.11591 1.42753 1.72206 -97.85871 311.02020 6660.0000 40 0 -98.16759 1.47885 1.71151 -97.98205 312.05606 6665.0000 40 0 -98.53080 1.39278 1.66920 -98.47689 271.67728 6670.0000 40 0 -97.91800 1.54398 1.67604 -98.39691 278.74771 6675.0000 40 0 -98.13881 1.39019 1.69577 -98.16620 302.67321 6680.0000 40 0 -97.72164 1.86425 1.72309 -97.84656 331.20864 6685.0000 40 0 -98.18118 1.85087 1.70630 -98.04297 311.24212 6690.0000 40 0 -98.44110 1.30533 1.67249 -98.43845 275.87737 6695.0000 40 0 -98.69633 1.18910 1.65331 -98.66277 251.39872 6700.0000 40 0 -98.57085 1.45751 1.66664 -98.50682 264.89880 6705.0000 40 0 -98.30287 1.51929 1.65601 -98.63124 256.94068 6710.0000 40 0 -98.41786 1.51353 1.69119 -98.21974 293.11519 6715.0000 40 0 -98.68466 1.34283 1.67349 -98.42679 275.09181 6720.0000 40 0 -98.41096 1.22396 1.66206 -98.56040 262.19449 6725.0000 40 0 -98.64698 1.30836 1.66914 -98.47766 270.45880 6730.0000 40 0 -98.71147 1.06772 1.65506 -98.64228 257.26201 6735.0000 40 0 -98.02513 1.38182 1.67336 -98.42830 275.97295 6740.0000 40 0 -97.70185 1.66760 1.70318 -98.07950 305.53506 6745.0000 40 0 -98.17628 1.54233 1.71178 -97.97888 317.39325 6750.0000 40 0 -98.03768 1.55660 1.70873 -98.01460 303.97278 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.05597 0.60796 1.17265 force_rgl> df(natom) 0.00000 0.00000 0.00000 6755.0000 41 0 -97.93761 2.22748 1.94826 -97.78477 358.20785 6760.0000 41 0 -99.50957 2.04508 1.88054 -98.59002 439.60725 6765.0000 41 0 -99.84123 1.69489 1.77893 -99.79817 346.78976 6770.0000 41 0 -100.66733 1.41193 1.73549 -100.31470 310.80579 6775.0000 41 0 -100.71009 1.37514 1.71609 -100.54536 282.12990 6780.0000 41 0 -100.38415 1.47419 1.70696 -100.65389 275.44787 6785.0000 41 0 -100.19617 1.72833 1.73855 -100.27823 316.58476 6790.0000 41 0 -100.43428 1.46003 1.76123 -100.00859 342.25589 6795.0000 41 0 -100.47247 1.48604 1.72118 -100.48477 293.29965 6800.0000 41 0 -100.47812 1.47712 1.72376 -100.45416 296.54692 6805.0000 41 0 -99.92208 2.08194 1.75049 -100.13635 317.75044 6810.0000 41 0 -100.03009 1.61985 1.75286 -100.10812 322.79205 6815.0000 41 0 -100.36718 1.89227 1.72573 -100.43075 299.28645 6820.0000 41 0 -100.36626 1.45487 1.71059 -100.61077 280.16138 6825.0000 41 0 -100.22693 1.54121 1.73894 -100.27360 310.39706 6830.0000 41 0 -99.49197 2.20385 1.76900 -99.91618 335.03235 6835.0000 41 0 -99.77988 1.62829 1.78468 -99.72977 358.11911 6840.0000 41 0 -100.21566 1.45590 1.76770 -99.93169 326.08077 6845.0000 41 0 -100.02109 1.63257 1.75347 -100.10089 314.26248 6850.0000 41 0 -99.95199 2.08041 1.76315 -99.98576 324.70908 6855.0000 41 0 -100.00432 1.75281 1.75254 -100.11190 320.70988 6860.0000 41 0 -100.25365 2.02530 1.74654 -100.18323 328.13885 6865.0000 41 0 -100.35178 1.50363 1.73478 -100.32313 327.50464 6870.0000 41 0 -100.42881 1.96383 1.72797 -100.40413 324.44974 6875.0000 41 0 -100.62746 1.86534 1.72414 -100.44963 320.37902 6880.0000 41 0 -100.40792 1.68637 1.73024 -100.37706 321.00768 6885.0000 41 0 -101.25274 1.10204 1.69063 -100.84806 274.24677 6890.0000 41 0 -100.72466 1.54330 1.67918 -100.98422 279.93716 6895.0000 41 0 -100.76779 1.51209 1.68557 -100.90826 292.03779 6900.0000 41 0 -100.54490 1.76328 1.70234 -100.70879 304.25071 6905.0000 41 0 -100.51953 1.69844 1.72908 -100.39083 330.02503 6910.0000 41 0 -100.34797 1.56530 1.72915 -100.39010 323.65081 6915.0000 41 0 -100.66868 1.49561 1.71782 -100.52480 312.09567 6920.0000 41 0 -100.87030 1.62186 1.70065 -100.72898 297.45170 6925.0000 41 0 -100.72704 1.45259 1.70750 -100.64749 303.66605 6930.0000 41 0 -101.02138 1.37793 1.70593 -100.66618 308.49769 6935.0000 41 0 -100.91942 1.53783 1.66741 -101.12419 252.26373 6940.0000 41 0 -101.45800 1.24834 1.65495 -101.27228 248.01879 6945.0000 41 0 -100.69686 1.42066 1.69260 -100.82459 284.02378 6950.0000 41 0 -100.94508 1.71402 1.69213 -100.83022 299.81352 6955.0000 41 0 -100.59380 1.42872 1.70837 -100.63719 312.69491 6960.0000 41 0 -100.48296 1.60773 1.71969 -100.50260 305.32093 6965.0000 41 0 -100.63886 1.61570 1.71946 -100.50527 300.70118 6970.0000 41 0 -100.47354 1.47237 1.70349 -100.69513 283.82800 6975.0000 41 0 -100.05588 1.67860 1.74511 -100.20030 331.16637 6980.0000 41 0 -100.19267 1.83360 1.75264 -100.11077 343.08163 6985.0000 41 0 -100.43243 1.42155 1.73067 -100.37193 326.39709 6990.0000 41 0 -100.50435 1.71844 1.70052 -100.73050 286.74550 6995.0000 41 0 -100.93524 1.61168 1.69792 -100.76144 291.18511 7000.0000 41 0 -101.01206 1.44636 1.68912 -100.86602 291.57253 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.39449 -1.77994 -1.21439 force_rgl> df(natom) 0.00000 0.00000 0.00000 7005.0000 42 0 -100.86429 2.02726 1.91778 -100.72787 324.40688 7010.0000 42 0 -102.43599 2.02862 1.84234 -101.63944 410.59844 7015.0000 42 0 -102.40491 1.78913 1.76320 -102.59566 345.41204 7020.0000 42 0 -103.33693 1.60393 1.72953 -103.00250 303.11620 7025.0000 42 0 -102.77610 1.70514 1.72725 -103.03009 306.46778 7030.0000 42 0 -103.32343 1.20383 1.72011 -103.11629 292.56611 7035.0000 42 0 -102.65379 2.15130 1.72124 -103.10269 295.17029 7040.0000 42 0 -103.28483 1.72131 1.71958 -103.12270 291.00459 7045.0000 42 0 -103.13893 1.35641 1.72004 -103.11711 321.71489 7050.0000 42 0 -103.03955 1.83939 1.70339 -103.31832 306.09896 7055.0000 42 0 -102.73219 1.71419 1.73675 -102.91529 337.10990 7060.0000 42 0 -103.05402 1.65690 1.74880 -102.76961 352.59519 7065.0000 42 0 -103.50280 1.48900 1.70558 -103.29191 307.77692 7070.0000 42 0 -103.49481 1.71019 1.70741 -103.26976 307.22621 7075.0000 42 0 -103.26058 1.62101 1.72123 -103.10283 327.03961 7080.0000 42 0 -103.10194 1.80300 1.71168 -103.21816 305.25967 7085.0000 42 0 -103.40331 1.46944 1.70862 -103.25509 305.06884 7090.0000 42 0 -103.78179 1.73744 1.67831 -103.62140 282.53956 7095.0000 42 0 -103.86715 1.25186 1.65839 -103.86205 258.92052 7100.0000 42 0 -103.58629 1.59464 1.66760 -103.75074 268.23877 7105.0000 42 0 -103.33331 1.66755 1.69922 -103.36871 299.24122 7110.0000 42 0 -102.86250 1.82090 1.71915 -103.12795 322.24297 7115.0000 42 0 -102.87379 1.56254 1.74057 -102.86910 344.93306 7120.0000 42 0 -103.06752 1.62076 1.73221 -102.97011 337.11283 7125.0000 42 0 -103.67742 1.72999 1.71095 -103.22695 312.81920 7130.0000 42 0 -102.65689 2.17144 1.70785 -103.26442 311.83784 7135.0000 42 0 -102.70978 1.91840 1.76600 -102.56189 368.28521 7140.0000 42 0 -103.00718 1.85405 1.74220 -102.84943 347.08519 7145.0000 42 0 -103.22365 1.66108 1.74085 -102.86572 346.49132 7150.0000 42 0 -102.99966 1.93124 1.71200 -103.21428 313.54563 7155.0000 42 0 -103.43315 1.33437 1.70982 -103.24063 308.27860 7160.0000 42 0 -103.24225 1.71257 1.70551 -103.29275 302.51344 7165.0000 42 0 -102.83195 1.93862 1.73093 -102.98560 338.21730 7170.0000 42 0 -103.03450 1.52768 1.73777 -102.90296 335.68949 7175.0000 42 0 -102.98709 1.92327 1.71571 -103.16951 312.69143 7180.0000 42 0 -103.06625 1.92912 1.73337 -102.95615 337.62936 7185.0000 42 0 -103.02419 1.42605 1.72300 -103.08139 324.64323 7190.0000 42 0 -102.80896 2.09804 1.73754 -102.90570 346.66989 7195.0000 42 0 -102.66604 1.67613 1.72936 -103.00456 331.67471 7200.0000 42 0 -103.10178 1.88526 1.73868 -102.89195 340.35791 7205.0000 42 0 -103.29606 1.55209 1.70806 -103.26187 313.28448 7210.0000 42 0 -103.45258 1.60295 1.70202 -103.33491 304.73964 7215.0000 42 0 -103.29956 1.57283 1.70503 -103.29848 308.64255 7220.0000 42 0 -103.53912 1.55388 1.69097 -103.46837 290.83503 7225.0000 42 0 -103.10438 1.70943 1.68946 -103.48664 290.35804 7230.0000 42 0 -103.43155 1.45099 1.70108 -103.34625 299.88858 7235.0000 42 0 -102.86985 1.80440 1.71085 -103.22818 314.38303 7240.0000 42 0 -103.55090 1.63613 1.70736 -103.27040 311.35273 7245.0000 42 0 -103.34425 1.50181 1.69280 -103.44635 297.92803 7250.0000 42 0 -102.70837 1.98870 1.75198 -102.73123 347.45509 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.24048 2.83075 1.04490 force_rgl> df(natom) 0.00000 0.00000 0.00000 7255.0000 43 0 -103.03874 2.22948 1.95437 -102.86247 354.72526 7260.0000 43 0 -104.61748 2.16339 1.85056 -104.13656 451.20415 7265.0000 43 0 -105.01709 1.76063 1.80105 -104.74423 393.59414 7270.0000 43 0 -105.55826 1.51891 1.73883 -105.50799 332.82436 7275.0000 43 0 -105.39869 1.68897 1.73527 -105.55170 331.70329 7280.0000 43 0 -105.76425 1.72105 1.75592 -105.29822 357.48832 7285.0000 43 0 -105.65532 1.68214 1.73481 -105.55723 327.45811 7290.0000 43 0 -106.37963 1.22441 1.71059 -105.85460 301.80046 7295.0000 43 0 -106.02841 1.42501 1.67638 -106.27442 269.39944 7300.0000 43 0 -105.58875 1.78244 1.72417 -105.68790 321.52736 7305.0000 43 0 -106.01305 1.46681 1.71039 -105.85705 301.75441 7310.0000 43 0 -105.57081 1.75332 1.71556 -105.79358 307.72763 7315.0000 43 0 -106.14309 1.45498 1.69558 -106.03883 285.43951 7320.0000 43 0 -105.52501 1.82450 1.69884 -105.99883 291.55665 7325.0000 43 0 -105.72763 1.74986 1.72462 -105.68239 321.29498 7330.0000 43 0 -105.83402 1.84539 1.72089 -105.72814 322.37851 7335.0000 43 0 -105.78778 1.46654 1.71107 -105.84866 307.71093 7340.0000 43 0 -106.13798 1.45267 1.70231 -105.95617 298.72324 7345.0000 43 0 -105.69674 1.78386 1.68955 -106.11285 288.81426 7350.0000 43 0 -105.90875 1.58023 1.72599 -105.66553 321.88575 7355.0000 43 0 -105.73644 1.75662 1.70726 -105.89539 299.86076 7360.0000 43 0 -106.35930 1.38631 1.69789 -106.01040 292.26778 7365.0000 43 0 -105.86401 1.47414 1.69351 -106.06426 286.98461 7370.0000 43 0 -105.63571 1.81889 1.72062 -105.73142 315.94427 7375.0000 43 0 -105.47736 1.86239 1.75309 -105.33288 354.03028 7380.0000 43 0 -105.34513 2.00539 1.75663 -105.28950 362.80405 7385.0000 43 0 -104.97679 1.95605 1.77010 -105.12415 365.74597 7390.0000 43 0 -105.41113 2.23924 1.76338 -105.20664 354.77248 7395.0000 43 0 -105.53012 1.67787 1.72081 -105.72919 313.92333 7400.0000 43 0 -105.72192 1.72735 1.71928 -105.74788 309.50607 7405.0000 43 0 -105.85728 1.55037 1.69375 -106.06124 283.26835 7410.0000 43 0 -105.95104 1.65403 1.71821 -105.76098 312.30799 7415.0000 43 0 -106.38129 1.34802 1.68083 -106.21984 280.63365 7420.0000 43 0 -105.55971 1.61558 1.70490 -105.92442 299.44130 7425.0000 43 0 -105.56751 1.76758 1.72833 -105.63677 323.59044 7430.0000 43 0 -106.05400 1.66908 1.72939 -105.62378 324.15929 7435.0000 43 0 -105.71176 1.87458 1.70428 -105.93203 296.08997 7440.0000 43 0 -105.57023 1.75186 1.72363 -105.69449 316.72658 7445.0000 43 0 -104.86812 2.13202 1.75103 -105.35826 348.09602 7450.0000 43 0 -105.71810 1.80508 1.75258 -105.33923 349.60561 7455.0000 43 0 -105.68854 1.58983 1.71122 -105.84679 309.44090 7460.0000 43 0 -106.11944 1.53240 1.69718 -106.01917 287.49394 7465.0000 43 0 -106.37152 1.38469 1.67936 -106.23782 267.44919 7470.0000 43 0 -106.03319 1.41217 1.68159 -106.21049 269.83227 7475.0000 43 0 -106.05173 1.69691 1.70784 -105.88834 302.60792 7480.0000 43 0 -106.35144 1.44576 1.68209 -106.20439 273.86484 7485.0000 43 0 -106.07701 1.60717 1.67550 -106.28524 264.87361 7490.0000 43 0 -105.40501 1.70197 1.73036 -105.61190 320.77566 7495.0000 43 0 -105.61453 1.68431 1.72409 -105.68886 312.64336 7500.0000 43 0 -106.24280 1.28983 1.71838 -105.75900 304.25030 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.55647 0.00797 0.83688 force_rgl> df(natom) 0.00000 0.00000 0.00000 7505.0000 44 0 -105.96826 3.03568 1.92856 -105.76365 321.95219 7510.0000 44 0 -107.64849 2.32658 1.87126 -106.47779 457.27631 7515.0000 44 0 -108.42180 1.69080 1.76459 -107.80734 363.44311 7520.0000 44 0 -108.67681 1.52002 1.70716 -108.52307 302.80226 7525.0000 44 0 -108.74183 1.64817 1.70125 -108.59671 293.42202 7530.0000 44 0 -108.85015 1.69234 1.67586 -108.91312 268.80630 7535.0000 44 0 -108.33925 1.63089 1.70811 -108.51125 296.28352 7540.0000 44 0 -108.80053 1.53603 1.71228 -108.45928 307.98188 7545.0000 44 0 -108.94662 1.56014 1.68947 -108.74357 279.91420 7550.0000 44 0 -108.49279 1.78347 1.68892 -108.75039 285.37111 7555.0000 44 0 -108.52027 1.68245 1.70317 -108.57279 297.38210 7560.0000 44 0 -108.80080 1.58996 1.71227 -108.45937 313.30549 7565.0000 44 0 -108.79310 1.41034 1.67716 -108.89696 268.10407 7570.0000 44 0 -108.91647 1.40178 1.67866 -108.87821 268.20658 7575.0000 44 0 -108.46179 1.25174 1.69383 -108.68914 288.22999 7580.0000 44 0 -108.61472 1.92002 1.69220 -108.70956 292.42776 7585.0000 44 0 -108.58924 1.56362 1.69741 -108.64460 304.43240 7590.0000 44 0 -108.58044 1.77109 1.69626 -108.65888 286.19624 7595.0000 44 0 -108.55558 1.79955 1.69819 -108.63484 299.04844 7600.0000 44 0 -108.52282 1.65358 1.71680 -108.40291 315.17713 7605.0000 44 0 -108.50786 1.57118 1.70990 -108.48888 317.98913 7610.0000 44 0 -108.70832 1.68453 1.70024 -108.60924 296.48052 7615.0000 44 0 -108.60887 1.54078 1.69499 -108.67472 288.54187 7620.0000 44 0 -108.80309 1.74333 1.67934 -108.86972 276.96370 7625.0000 44 0 -108.72642 1.56854 1.69526 -108.67137 289.47839 7630.0000 44 0 -108.09237 2.01545 1.72144 -108.34502 316.45706 7635.0000 44 0 -108.19822 1.56170 1.72609 -108.28715 315.54171 7640.0000 44 0 -108.48599 1.91757 1.71706 -108.39973 312.82202 7645.0000 44 0 -108.28574 1.99227 1.71861 -108.38029 315.54797 7650.0000 44 0 -108.49159 1.67700 1.72772 -108.26680 328.99242 7655.0000 44 0 -108.81689 1.81309 1.70413 -108.56076 304.66654 7660.0000 44 0 -108.34309 1.86580 1.69490 -108.67590 291.39590 7665.0000 44 0 -108.39267 1.69918 1.71005 -108.48697 302.01535 7670.0000 44 0 -108.43270 1.77077 1.71378 -108.44051 298.43068 7675.0000 44 0 -108.30874 1.90925 1.70433 -108.55826 292.09077 7680.0000 44 0 -108.24194 1.91362 1.72934 -108.24656 327.81903 7685.0000 44 0 -108.24007 1.74110 1.72726 -108.27249 327.90903 7690.0000 44 0 -108.56989 1.45605 1.70720 -108.52261 300.20796 7695.0000 44 0 -107.82508 1.95406 1.72083 -108.35263 313.62260 7700.0000 44 0 -108.11933 1.71873 1.74830 -108.01027 342.40176 7705.0000 44 0 -108.50624 1.76912 1.71631 -108.40905 310.66392 7710.0000 44 0 -108.11878 1.81457 1.70696 -108.52557 304.35554 7715.0000 44 0 -108.17746 2.15310 1.71477 -108.42818 309.59365 7720.0000 44 0 -108.37790 1.52548 1.72575 -108.29142 325.40339 7725.0000 44 0 -108.72958 1.37771 1.70031 -108.60846 291.95001 7730.0000 44 0 -108.42140 1.98375 1.70355 -108.56799 297.32519 7735.0000 44 0 -108.10637 1.61391 1.71577 -108.41574 308.38459 7740.0000 44 0 -108.36334 1.64232 1.72866 -108.25509 319.44091 7745.0000 44 0 -107.97922 1.97201 1.74668 -108.03045 342.75808 7750.0000 44 0 -108.35768 1.58284 1.73657 -108.15654 325.85061 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.74304 0.12969 0.08261 force_rgl> df(natom) 0.00000 0.00000 0.00000 7755.0000 45 0 -107.90675 3.04877 1.93207 -108.30640 334.70962 7760.0000 45 0 -110.18094 2.13891 1.85626 -109.26549 417.44815 7765.0000 45 0 -110.98654 1.48123 1.74418 -110.68355 317.07248 7770.0000 45 0 -110.52234 1.46073 1.73438 -110.80751 310.15189 7775.0000 45 0 -110.77788 1.83837 1.74763 -110.63986 332.06969 7780.0000 45 0 -110.69700 1.60071 1.75020 -110.60730 330.37093 7785.0000 45 0 -111.02820 1.74718 1.73851 -110.75529 312.16653 7790.0000 45 0 -111.16936 1.69536 1.70521 -111.17653 279.76090 7795.0000 45 0 -110.78653 1.88090 1.70777 -111.14415 288.53482 7800.0000 45 0 -110.85072 1.77447 1.74785 -110.63709 329.08122 7805.0000 45 0 -111.05909 1.61038 1.73531 -110.79575 307.98729 7810.0000 45 0 -111.27965 1.67039 1.71432 -111.06131 287.27758 7815.0000 45 0 -111.22882 1.52442 1.69933 -111.25091 274.54364 7820.0000 45 0 -111.36353 1.48517 1.70245 -111.21144 274.13305 7825.0000 45 0 -111.21734 1.79788 1.70420 -111.18936 278.55630 7830.0000 45 0 -110.80599 1.55039 1.72141 -110.97159 294.64868 7835.0000 45 0 -111.05955 1.68146 1.73184 -110.83970 297.14001 7840.0000 45 0 -111.42718 1.20760 1.69552 -111.29918 261.90680 7845.0000 45 0 -110.77827 1.54898 1.72215 -110.96226 276.59403 7850.0000 45 0 -110.20013 2.02554 1.75588 -110.53552 309.10459 7855.0000 45 0 -110.31458 1.70174 1.77994 -110.23117 337.04824 7860.0000 45 0 -110.91509 1.46839 1.75371 -110.56290 308.56050 7865.0000 45 0 -110.69796 1.78694 1.73340 -110.81986 281.72728 7870.0000 45 0 -110.89124 1.63995 1.73529 -110.79599 284.93971 7875.0000 45 0 -111.09483 1.36745 1.72518 -110.92386 276.65308 7880.0000 45 0 -110.71747 1.73405 1.73521 -110.79700 285.97199 7885.0000 45 0 -110.07825 1.78283 1.77179 -110.33427 306.84122 7890.0000 45 0 -110.77512 1.75272 1.76225 -110.45497 316.15207 7895.0000 45 0 -110.62215 1.58510 1.73598 -110.78729 304.70213 7900.0000 45 0 -110.77416 1.76202 1.73706 -110.77366 301.96794 7905.0000 45 0 -110.69317 1.62017 1.73526 -110.79633 298.01593 7910.0000 45 0 -110.32460 1.65149 1.75385 -110.56117 323.89988 7915.0000 45 0 -110.49486 1.65477 1.77156 -110.33711 340.56577 7920.0000 45 0 -110.58281 1.99117 1.76112 -110.46921 327.26405 7925.0000 45 0 -110.75353 1.73167 1.74432 -110.68181 316.21266 7930.0000 45 0 -110.37705 1.85464 1.74227 -110.70767 304.72911 7935.0000 45 0 -110.64563 2.14975 1.73991 -110.73753 306.57383 7940.0000 45 0 -110.68004 1.60920 1.76057 -110.47623 321.80698 7945.0000 45 0 -110.52327 1.48405 1.74527 -110.66969 312.80062 7950.0000 45 0 -110.87592 1.56244 1.73720 -110.77182 299.50305 7955.0000 45 0 -110.54506 1.73899 1.71665 -111.03183 277.15135 7960.0000 45 0 -110.83518 1.67504 1.73459 -110.80480 302.23138 7965.0000 45 0 -110.52593 1.95490 1.74787 -110.63689 313.83250 7970.0000 45 0 -111.13091 1.51201 1.74239 -110.70617 307.22855 7975.0000 45 0 -111.11617 1.54323 1.69920 -111.25257 263.41933 7980.0000 45 0 -110.78940 1.63837 1.73084 -110.85234 295.20786 7985.0000 45 0 -110.40250 1.61336 1.74145 -110.71810 303.65783 7990.0000 45 0 -110.48807 1.75889 1.74600 -110.66047 303.44619 7995.0000 45 0 -110.94285 1.74195 1.73790 -110.76296 303.56468 8000.0000 45 0 -111.16441 1.52874 1.71975 -110.99258 278.49106 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.86975 -2.27584 2.38814 force_rgl> df(natom) 0.00000 0.00000 0.00000 8005.0000 46 0 -111.05994 2.62886 1.95070 -110.65649 331.60211 8010.0000 46 0 -112.76627 1.93000 1.83620 -112.12643 386.43470 8015.0000 46 0 -113.13117 2.01282 1.77255 -112.94365 328.04474 8020.0000 46 0 -112.75182 2.28767 1.77185 -112.95258 342.47134 8025.0000 46 0 -112.87286 2.84840 1.75520 -113.16632 356.82479 8030.0000 46 0 -113.76935 1.92649 1.75291 -113.19576 357.10696 8035.0000 46 0 -113.49038 2.07368 1.69813 -113.89897 301.93063 8040.0000 46 0 -113.39703 2.04686 1.73708 -113.39900 341.86984 8045.0000 46 0 -114.18703 1.43086 1.71584 -113.67159 309.71219 8050.0000 46 0 -114.14836 1.55684 1.69004 -114.00292 286.63046 8055.0000 46 0 -114.27873 1.54900 1.66565 -114.31604 264.63453 8060.0000 46 0 -113.89686 1.73769 1.67865 -114.14904 279.58366 8065.0000 46 0 -113.86016 1.78769 1.70633 -113.79379 308.13644 8070.0000 46 0 -114.30581 1.56584 1.70899 -113.75956 311.02901 8075.0000 46 0 -114.05230 1.60309 1.68699 -114.04206 294.08254 8080.0000 46 0 -113.46122 1.85468 1.71156 -113.72656 320.58203 8085.0000 46 0 -113.59201 2.18132 1.72970 -113.49374 328.46161 8090.0000 46 0 -114.06541 1.55329 1.68825 -114.02585 284.55954 8095.0000 46 0 -113.60626 1.57244 1.70200 -113.84936 299.69453 8100.0000 46 0 -114.09356 1.65124 1.71557 -113.67512 313.04229 8105.0000 46 0 -113.73453 1.78027 1.70500 -113.81083 299.68598 8110.0000 46 0 -114.34857 1.37794 1.69165 -113.98225 291.08604 8115.0000 46 0 -113.78927 1.90638 1.68999 -114.00347 288.86579 8120.0000 46 0 -113.69433 1.70127 1.69507 -113.93829 292.24287 8125.0000 46 0 -114.05425 1.71212 1.71386 -113.69708 310.73945 8130.0000 46 0 -113.95096 1.37330 1.68605 -114.05407 281.79953 8135.0000 46 0 -114.04444 1.47609 1.68914 -114.01443 280.47949 8140.0000 46 0 -113.93410 1.73965 1.70230 -113.84554 302.98515 8145.0000 46 0 -114.08953 1.81779 1.70223 -113.84632 300.83851 8150.0000 46 0 -113.31517 1.86520 1.70806 -113.77152 299.05502 8155.0000 46 0 -113.73321 1.70521 1.72458 -113.55943 326.80597 8160.0000 46 0 -113.96465 1.64747 1.69837 -113.89592 297.97420 8165.0000 46 0 -113.49838 1.74607 1.70544 -113.80513 309.31523 8170.0000 46 0 -113.67964 1.84616 1.71050 -113.74016 314.82743 8175.0000 46 0 -113.28820 2.36859 1.73020 -113.48735 331.23290 8180.0000 46 0 -113.48025 2.15831 1.72887 -113.50431 328.39306 8185.0000 46 0 -114.26592 1.49206 1.70184 -113.85136 304.84857 8190.0000 46 0 -114.22726 1.36871 1.68455 -114.07337 289.33457 8195.0000 46 0 -114.38701 1.69642 1.66176 -114.36595 262.80557 8200.0000 46 0 -114.19125 1.68851 1.66344 -114.34432 262.83271 8205.0000 46 0 -114.12759 1.40560 1.69010 -114.00212 292.04552 8210.0000 46 0 -114.00775 1.64420 1.68219 -114.10368 284.21041 8215.0000 46 0 -114.18018 1.37182 1.69604 -113.92584 296.44860 8220.0000 46 0 -113.81614 1.61756 1.68623 -114.05185 284.68369 8225.0000 46 0 -113.85766 1.63447 1.69157 -113.98326 294.67932 8230.0000 46 0 -114.39571 1.43932 1.66922 -114.27012 277.97128 8235.0000 46 0 -114.21787 1.63276 1.67022 -114.25728 271.86490 8240.0000 46 0 -114.10193 1.71996 1.66941 -114.26767 271.28748 8245.0000 46 0 -113.69076 1.79028 1.69792 -113.90171 300.41637 8250.0000 46 0 -113.37974 1.86969 1.72877 -113.50561 334.77160 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.26392 -1.74756 -0.72326 force_rgl> df(natom) 0.00000 0.00000 0.00000 8255.0000 47 0 -114.07361 1.78741 1.92787 -113.54217 330.97593 8260.0000 47 0 -114.96044 2.26979 1.85523 -114.48821 426.05985 8265.0000 47 0 -115.48191 1.85621 1.79657 -115.25218 374.18946 8270.0000 47 0 -116.34938 1.90715 1.74331 -115.94576 325.54903 8275.0000 47 0 -116.54381 1.55876 1.70310 -116.46942 285.31941 8280.0000 47 0 -116.38062 1.60495 1.70730 -116.41483 291.31010 8285.0000 47 0 -116.44808 1.82847 1.69645 -116.55613 280.19238 8290.0000 47 0 -116.32124 1.71541 1.69920 -116.52029 282.51623 8295.0000 47 0 -116.39459 1.84605 1.72464 -116.18888 305.22357 8300.0000 47 0 -116.62583 1.75822 1.70113 -116.49516 286.79309 8305.0000 47 0 -116.75609 1.56889 1.68856 -116.65877 288.55211 8310.0000 47 0 -116.48287 1.87341 1.68996 -116.64061 294.91780 8315.0000 47 0 -116.48810 1.96720 1.69656 -116.55461 295.40950 8320.0000 47 0 -116.12891 1.74832 1.70954 -116.38565 301.54699 8325.0000 47 0 -116.60516 1.43709 1.72439 -116.19225 307.72263 8330.0000 47 0 -116.18543 1.81334 1.70499 -116.44484 298.33563 8335.0000 47 0 -116.18009 1.96370 1.73520 -116.05142 334.04545 8340.0000 47 0 -116.19642 1.87968 1.73454 -116.05996 335.27007 8345.0000 47 0 -116.66680 1.63119 1.71303 -116.34014 313.29172 8350.0000 47 0 -116.96066 1.67401 1.67125 -116.88431 273.09662 8355.0000 47 0 -115.93841 1.95133 1.70944 -116.38691 304.71169 8360.0000 47 0 -116.12700 2.03193 1.74647 -115.90465 345.43190 8365.0000 47 0 -116.70958 1.74221 1.68731 -116.67507 285.79748 8370.0000 47 0 -115.88415 1.99585 1.72119 -116.23383 321.64007 8375.0000 47 0 -115.67742 2.24000 1.73120 -116.10344 334.58557 8380.0000 47 0 -116.25536 1.74064 1.72077 -116.23932 325.06948 8385.0000 47 0 -116.62638 1.78122 1.70724 -116.41555 308.43316 8390.0000 47 0 -116.57797 1.78819 1.71088 -116.36814 310.31514 8395.0000 47 0 -116.24333 1.77120 1.70278 -116.47357 298.19427 8400.0000 47 0 -116.50227 1.63780 1.70712 -116.41710 303.47726 8405.0000 47 0 -116.82575 1.55879 1.70343 -116.46518 301.56172 8410.0000 47 0 -116.46246 1.45900 1.68173 -116.74775 267.83370 8415.0000 47 0 -116.44085 1.78207 1.70372 -116.46145 302.81005 8420.0000 47 0 -116.77813 1.77708 1.69551 -116.56830 298.62666 8425.0000 47 0 -116.38385 2.05673 1.68055 -116.76313 281.06121 8430.0000 47 0 -116.67623 1.71100 1.69439 -116.58284 291.83420 8435.0000 47 0 -116.45376 1.78026 1.69382 -116.59031 292.08291 8440.0000 47 0 -116.23772 1.99792 1.69285 -116.60302 291.49646 8445.0000 47 0 -116.16041 2.25291 1.73434 -116.06258 331.80422 8450.0000 47 0 -116.01913 2.31173 1.71505 -116.31380 316.50437 8455.0000 47 0 -116.31899 1.76867 1.72804 -116.14467 325.29076 8460.0000 47 0 -116.50090 1.76815 1.70933 -116.38828 308.34626 8465.0000 47 0 -117.01482 1.59339 1.67467 -116.83978 276.38934 8470.0000 47 0 -117.00445 1.58019 1.65658 -117.07534 254.87971 8475.0000 47 0 -116.97436 1.71818 1.66205 -117.00408 259.90833 8480.0000 47 0 -116.87161 1.50727 1.65776 -117.05993 258.69989 8485.0000 47 0 -116.41003 1.71470 1.69877 -116.52590 297.81377 8490.0000 47 0 -116.54679 2.03457 1.69263 -116.60584 291.77085 8495.0000 47 0 -116.43109 1.96363 1.70758 -116.41110 304.60508 8500.0000 47 0 -116.35117 1.95561 1.69284 -116.60307 292.44021 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.64950 0.05257 -2.42400 force_rgl> df(natom) 0.00000 0.00000 0.00000 8505.0000 48 0 -116.55419 2.66073 1.91110 -116.35876 340.63683 8510.0000 48 0 -117.87251 2.14558 1.84051 -117.29112 412.37423 8515.0000 48 0 -119.35639 1.57317 1.74626 -118.53588 326.58503 8520.0000 48 0 -119.00911 1.65868 1.69380 -119.22883 277.80249 8525.0000 48 0 -118.90422 1.60743 1.70456 -119.08662 290.38885 8530.0000 48 0 -118.95238 1.68351 1.72829 -118.77322 321.86981 8535.0000 48 0 -118.89150 2.18224 1.70986 -119.01669 305.54186 8540.0000 48 0 -119.46722 1.67249 1.69102 -119.26549 281.31586 8545.0000 48 0 -119.22185 1.71293 1.68944 -119.28637 279.54270 8550.0000 48 0 -118.45341 1.98750 1.71524 -118.94564 305.75157 8555.0000 48 0 -118.62244 1.83503 1.74946 -118.49369 344.16179 8560.0000 48 0 -119.19799 1.95824 1.72075 -118.87279 309.42843 8565.0000 48 0 -118.82742 2.14669 1.72498 -118.81693 314.91343 8570.0000 48 0 -118.90157 1.78491 1.71602 -118.93534 298.66445 8575.0000 48 0 -118.77738 1.55657 1.71705 -118.92170 293.71313 8580.0000 48 0 -118.85236 1.80786 1.73779 -118.64781 319.16736 8585.0000 48 0 -118.83514 1.97296 1.72950 -118.75722 314.84382 8590.0000 48 0 -119.13660 1.69974 1.69449 -119.21970 276.05724 8595.0000 48 0 -118.83102 1.72306 1.72946 -118.75777 311.93019 8600.0000 48 0 -118.83561 1.91294 1.72213 -118.85465 300.91592 8605.0000 48 0 -119.10388 1.60968 1.69877 -119.16312 280.60958 8610.0000 48 0 -119.13152 2.10901 1.70112 -119.13216 289.25452 8615.0000 48 0 -119.31749 1.64599 1.71748 -118.91607 302.72461 8620.0000 48 0 -118.93110 1.48354 1.69453 -119.21919 284.91733 8625.0000 48 0 -119.11415 1.81803 1.72255 -118.84909 314.44727 8630.0000 48 0 -119.49435 1.44802 1.69410 -119.22480 285.92255 8635.0000 48 0 -118.65502 2.06107 1.70588 -119.06917 294.57973 8640.0000 48 0 -118.88545 1.84263 1.72701 -118.79010 317.73935 8645.0000 48 0 -118.63843 1.85940 1.75242 -118.45460 340.79095 8650.0000 48 0 -119.14208 1.73339 1.71154 -118.99442 298.92101 8655.0000 48 0 -119.44774 1.69957 1.70046 -119.14077 288.65779 8660.0000 48 0 -119.12142 2.02440 1.67397 -119.49064 260.61700 8665.0000 48 0 -118.88951 1.53319 1.72042 -118.87719 307.52050 8670.0000 48 0 -118.77432 1.60997 1.72558 -118.80905 305.91525 8675.0000 48 0 -118.77526 1.79173 1.73762 -118.65005 317.26415 8680.0000 48 0 -118.86928 1.86803 1.73131 -118.73330 311.57456 8685.0000 48 0 -118.98995 1.74649 1.72027 -118.87923 300.96963 8690.0000 48 0 -119.28452 1.87821 1.69627 -119.19617 286.87485 8695.0000 48 0 -119.25261 2.01146 1.67490 -119.47835 261.16700 8700.0000 48 0 -118.69107 1.74834 1.69420 -119.22354 280.32986 8705.0000 48 0 -118.83644 1.85256 1.72602 -118.80317 307.50148 8710.0000 48 0 -118.90732 1.71739 1.71205 -118.98776 294.82100 8715.0000 48 0 -118.74458 1.95975 1.72907 -118.76288 314.88838 8720.0000 48 0 -119.07711 1.46525 1.71802 -118.90888 304.71691 8725.0000 48 0 -118.64228 2.13643 1.72418 -118.82758 311.92057 8730.0000 48 0 -119.05685 1.66971 1.70148 -119.12735 285.35724 8735.0000 48 0 -119.08805 1.59408 1.69412 -119.22455 281.09232 8740.0000 48 0 -119.02559 1.94400 1.68813 -119.30371 277.21672 8745.0000 48 0 -119.04556 1.69514 1.70851 -119.03450 297.19512 8750.0000 48 0 -119.12700 1.88309 1.69999 -119.14699 293.63405 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.10979 -1.24156 1.32830 force_rgl> df(natom) 0.00000 0.00000 0.00000 8755.0000 49 0 -119.25359 2.86628 1.91446 -118.91434 321.18387 8760.0000 49 0 -120.73852 2.13995 1.80811 -120.33851 358.99628 8765.0000 49 0 -121.53072 1.83945 1.76320 -120.93981 326.46816 8770.0000 49 0 -121.00411 2.08168 1.73963 -121.25550 302.92504 8775.0000 49 0 -121.00092 1.72538 1.75631 -121.03204 319.35107 8780.0000 49 0 -121.40262 2.20641 1.73265 -121.34890 299.24846 8785.0000 49 0 -120.76115 2.22412 1.74829 -121.13946 313.99053 8790.0000 49 0 -120.94791 2.30580 1.78364 -120.66612 348.46654 8795.0000 49 0 -121.33335 1.75608 1.76157 -120.96173 325.25441 8800.0000 49 0 -121.65599 1.59999 1.73215 -121.35565 296.34353 8805.0000 49 0 -121.35629 1.99476 1.72507 -121.45039 290.88046 8810.0000 49 0 -121.19564 2.02851 1.74457 -121.18930 308.79798 8815.0000 49 0 -121.15453 1.83688 1.74616 -121.16804 312.48558 8820.0000 49 0 -120.98379 2.13104 1.75726 -121.01943 326.51470 8825.0000 49 0 -120.95449 2.19168 1.76795 -120.87621 334.30129 8830.0000 49 0 -120.74976 2.25526 1.76156 -120.96174 328.46606 8835.0000 49 0 -121.16580 1.74710 1.76771 -120.87945 334.01570 8840.0000 49 0 -121.12129 1.89740 1.75504 -121.04915 319.21639 8845.0000 49 0 -120.98248 2.06129 1.74600 -121.17018 299.98843 8850.0000 49 0 -121.68198 1.90257 1.72296 -121.47867 292.00908 8855.0000 49 0 -121.74309 1.70494 1.70947 -121.65930 276.47010 8860.0000 49 0 -121.22429 1.74425 1.70334 -121.74144 265.21756 8865.0000 49 0 -121.02243 1.88357 1.74651 -121.16327 314.03297 8870.0000 49 0 -120.79873 2.08272 1.75917 -120.99383 323.29108 8875.0000 49 0 -121.30851 1.60951 1.75802 -121.00914 324.65036 8880.0000 49 0 -121.62505 1.65539 1.71752 -121.55152 280.67268 8885.0000 49 0 -120.97898 2.02294 1.75922 -120.99309 324.93947 8890.0000 49 0 -120.46961 2.16906 1.78466 -120.65253 349.28613 8895.0000 49 0 -121.16086 1.98089 1.78132 -120.69726 340.49461 8900.0000 49 0 -121.18724 2.40254 1.73727 -121.28699 305.30030 8905.0000 49 0 -121.50478 1.92058 1.73369 -121.33496 300.86095 8910.0000 49 0 -122.05319 1.47984 1.71705 -121.55779 288.97662 8915.0000 49 0 -121.31060 1.53482 1.71745 -121.55243 285.49186 8920.0000 49 0 -120.79718 1.93019 1.75166 -121.09438 317.15840 8925.0000 49 0 -120.89623 1.86644 1.78070 -120.70557 348.87636 8930.0000 49 0 -120.83979 1.99341 1.76488 -120.91731 317.31985 8935.0000 49 0 -121.51472 1.62164 1.73145 -121.36499 295.46291 8940.0000 49 0 -121.25126 1.84414 1.72417 -121.46247 290.70300 8945.0000 49 0 -121.18013 2.04887 1.75486 -121.05147 324.19406 8950.0000 49 0 -121.91849 1.85538 1.72336 -121.47330 286.11889 8955.0000 49 0 -121.56124 1.88240 1.69848 -121.80644 260.96552 8960.0000 49 0 -121.36397 1.89868 1.72218 -121.48914 286.44168 8965.0000 49 0 -121.65770 1.69848 1.71307 -121.61114 279.51333 8970.0000 49 0 -120.54020 2.27759 1.75344 -121.07059 319.83923 8975.0000 49 0 -120.61599 1.96603 1.77177 -120.82508 328.61013 8980.0000 49 0 -120.56786 2.02994 1.77747 -120.74874 343.42361 8985.0000 49 0 -120.80060 1.88579 1.77745 -120.74904 331.60546 8990.0000 49 0 -121.31955 1.80155 1.75901 -120.99597 323.14664 8995.0000 49 0 -121.40426 2.06378 1.72428 -121.46098 288.46081 9000.0000 49 0 -122.05123 1.51548 1.70736 -121.68751 274.30197 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 30.2591282 [s]. main_MD> Deallocating global variables