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: 950 main_MD> Size of nv and nvoiz: 32 3200 main_MD> Size of nv and nvoiz: 32 3200 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 = 32 main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance main_MD> collvar_wanted = F main_MD> INPUT AND POTENTIAL FILE READING IS DONE main_MD> THERMALIZATION IS STARTING init> -0.18779741415291248 -7.2309709439152839E-002 -0.33065212796004317 initial drift of cluster / NP1 for coalescence init> 0.32097234152523996 0.46444329609342205 0.22154599519134066 scaling for velocity /for coalescence NP1 init.f90 > facguy = 1.8596158565290337E-003 preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084 preparo> END t=0 TIME STEP force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.00000 0.00000 0.00000 force_rgl> df(natom) 0.00000 4.66620 2.88387 preparo> THERMALIZATION PROCESS AT 301.73544676879908 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -30.034586546084892 0.34204598451045759 -30.376632530595348 3.6899159870043725E-004 preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE main_MD> Time-loop is starting for growth main_MD> Now the computation of EXECUTION TIME starts force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.08466 -0.67414 -0.80208 force_rgl> df(natom) 0.00000 0.00000 0.00000 5.0000 14 0 -29.68092 0.50013 1.98783 -29.75314 310.28769 10.0000 14 0 -30.86575 0.89920 1.94447 -30.00496 712.03764 15.0000 14 0 -31.57792 0.72286 1.68717 -31.49957 419.54431 20.0000 14 0 -31.70167 0.71232 1.65434 -31.69027 371.86672 25.0000 14 0 -31.91330 0.63341 1.63209 -31.81952 336.98155 30.0000 14 0 -31.71786 0.39684 1.61896 -31.89580 305.19781 35.0000 14 0 -31.78610 0.48627 1.65286 -31.69888 359.03081 40.0000 14 0 -31.88253 0.59239 1.62634 -31.85297 323.00104 45.0000 14 0 -32.04812 0.55213 1.59609 -32.02864 284.99767 50.0000 14 0 -31.90963 0.60326 1.61204 -31.93602 320.68157 55.0000 14 0 -31.74780 0.55976 1.61650 -31.91010 332.20126 60.0000 14 0 -31.82209 0.58817 1.64569 -31.74053 350.18615 65.0000 14 0 -31.91815 0.43240 1.61432 -31.92279 285.47392 70.0000 14 0 -31.97494 0.64257 1.62078 -31.88521 341.35725 75.0000 14 0 -31.94319 0.34965 1.61045 -31.94524 290.63961 80.0000 14 0 -31.86679 0.63498 1.64119 -31.76666 370.37489 85.0000 14 0 -31.84981 0.60435 1.62025 -31.88833 313.82809 90.0000 14 0 -32.22484 0.38348 1.60073 -32.00171 301.65232 95.0000 14 0 -31.89485 0.76668 1.60204 -31.99410 301.77065 100.0000 14 0 -31.82867 0.52475 1.63054 -31.82856 350.06908 105.0000 14 0 -32.00958 0.44372 1.61182 -31.93731 310.78538 110.0000 14 0 -32.22969 0.36976 1.58244 -32.10793 261.96931 115.0000 14 0 -32.24941 0.33912 1.57406 -32.15665 268.84887 120.0000 14 0 -32.05430 0.32564 1.56110 -32.23191 233.05186 125.0000 14 0 -31.91480 0.64109 1.60337 -31.98638 293.83403 130.0000 14 0 -32.10887 0.31060 1.60364 -31.98482 293.60822 135.0000 14 0 -31.96090 0.55231 1.61439 -31.92237 325.37428 140.0000 14 0 -32.07633 0.40119 1.59508 -32.03453 278.89544 145.0000 14 0 -32.20361 0.49009 1.57223 -32.16724 246.78224 150.0000 14 0 -32.05791 0.41170 1.58106 -32.11595 267.56395 155.0000 14 0 -31.86855 0.61199 1.58428 -32.09724 274.75943 160.0000 14 0 -31.75518 0.58512 1.62752 -31.84606 343.59297 165.0000 14 0 -31.70296 0.66821 1.64656 -31.73546 355.32959 170.0000 14 0 -31.71836 0.59697 1.70038 -31.42287 458.38427 175.0000 14 0 -31.90764 0.51530 1.63448 -31.80565 322.88748 180.0000 14 0 -32.11179 0.42697 1.61080 -31.94321 310.37307 185.0000 14 0 -31.70299 0.78162 1.62576 -31.85628 316.42688 190.0000 14 0 -31.67331 0.57753 1.65284 -31.69903 371.17862 195.0000 14 0 -31.90357 0.52583 1.65184 -31.70483 357.01773 200.0000 14 0 -31.68270 0.69401 1.64648 -31.73598 352.47593 205.0000 14 0 -31.74921 0.66901 1.65930 -31.66147 384.61372 210.0000 14 0 -31.80544 0.52356 1.64131 -31.76599 359.69734 215.0000 14 0 -31.81041 0.52854 1.63104 -31.82563 383.40380 220.0000 14 0 -32.04876 0.51008 1.61890 -31.89614 329.94884 225.0000 14 0 -31.97273 0.37955 1.59690 -32.02394 262.22833 230.0000 14 0 -31.93782 0.34060 1.60315 -31.98764 257.56633 235.0000 14 0 -31.75330 0.31177 1.62148 -31.88115 298.96201 240.0000 14 0 -31.57540 0.75517 1.65278 -31.69938 353.88914 245.0000 14 0 -31.79863 0.63136 1.62985 -31.83253 343.28176 250.0000 14 0 -31.70341 0.59514 1.64847 -31.72437 373.55153 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.56102 3.40860 -0.07332 force_rgl> df(natom) 0.00000 0.00000 0.00000 255.0000 15 0 -31.73913 1.22947 2.06344 -31.69977 423.42357 260.0000 15 0 -33.63506 0.98734 1.88375 -32.79264 665.05921 265.0000 15 0 -34.22924 0.67740 1.70711 -33.86700 472.58708 270.0000 15 0 -34.37938 0.75555 1.64688 -34.23333 366.93205 275.0000 15 0 -34.33228 0.66528 1.62499 -34.36646 324.76374 280.0000 15 0 -34.35706 0.51585 1.62301 -34.37850 324.84748 285.0000 15 0 -34.32932 0.75022 1.63385 -34.31259 334.75876 290.0000 15 0 -34.24787 0.54212 1.64831 -34.22464 357.56334 295.0000 15 0 -33.97462 0.69653 1.68293 -34.01408 423.84695 300.0000 15 0 -34.34907 0.59170 1.64588 -34.23942 348.09395 305.0000 15 0 -34.46025 0.53107 1.59874 -34.52615 268.78949 310.0000 15 0 -34.54020 0.47703 1.58934 -34.58333 262.13650 315.0000 15 0 -34.26670 0.56821 1.62376 -34.37396 321.24916 320.0000 15 0 -34.45780 0.57295 1.62488 -34.36716 336.27615 325.0000 15 0 -34.40977 0.54039 1.60283 -34.50128 288.75539 330.0000 15 0 -34.14977 0.90420 1.63545 -34.30289 348.76383 335.0000 15 0 -34.83658 0.29556 1.60451 -34.49105 298.22655 340.0000 15 0 -34.55598 0.49899 1.58231 -34.62606 254.81138 345.0000 15 0 -34.55972 0.45066 1.58636 -34.60144 259.97496 350.0000 15 0 -34.58513 0.44345 1.60212 -34.50556 283.83181 355.0000 15 0 -34.56605 0.51911 1.59734 -34.53465 278.18928 360.0000 15 0 -34.40794 0.54195 1.60932 -34.46179 306.03951 365.0000 15 0 -34.40200 0.48090 1.61535 -34.42513 302.39171 370.0000 15 0 -33.81611 0.88610 1.66649 -34.11405 395.68160 375.0000 15 0 -34.69762 0.45274 1.65144 -34.20559 352.11137 380.0000 15 0 -34.76539 0.34882 1.56463 -34.73361 223.65542 385.0000 15 0 -34.60162 0.50315 1.56982 -34.70204 225.23159 390.0000 15 0 -34.48171 0.53718 1.59878 -34.52590 281.24523 395.0000 15 0 -34.37967 0.67031 1.63986 -34.27602 348.45628 400.0000 15 0 -34.28299 0.70201 1.62280 -34.37980 328.88570 405.0000 15 0 -34.59096 0.59682 1.62296 -34.37884 332.88888 410.0000 15 0 -34.51623 0.50162 1.59733 -34.53473 287.35417 415.0000 15 0 -34.35857 0.48498 1.62885 -34.34301 328.41844 420.0000 15 0 -34.15940 0.63154 1.65062 -34.21061 385.75380 425.0000 15 0 -34.14052 0.77121 1.66449 -34.12625 388.23681 430.0000 15 0 -34.23464 0.61096 1.64964 -34.21658 363.39280 435.0000 15 0 -34.30577 0.53239 1.64681 -34.23378 366.52730 440.0000 15 0 -34.45329 0.53049 1.62774 -34.34977 316.84622 445.0000 15 0 -34.70180 0.52112 1.59112 -34.57250 277.43403 450.0000 15 0 -34.45096 0.54272 1.60028 -34.51680 296.83670 455.0000 15 0 -34.44770 0.53781 1.61533 -34.42524 317.20114 460.0000 15 0 -34.39569 0.55861 1.63368 -34.31363 342.54735 465.0000 15 0 -34.47361 0.61128 1.62327 -34.37692 331.65797 470.0000 15 0 -34.39985 0.62816 1.59909 -34.52401 287.76333 475.0000 15 0 -34.53561 0.44429 1.60217 -34.50530 280.00461 480.0000 15 0 -34.47232 0.57110 1.60882 -34.46486 307.76948 485.0000 15 0 -34.23318 0.66936 1.64201 -34.26294 345.91662 490.0000 15 0 -34.34781 0.48094 1.63131 -34.32803 323.96394 495.0000 15 0 -34.49226 0.50948 1.61145 -34.44882 298.68744 500.0000 15 0 -34.50821 0.53510 1.59102 -34.57312 270.54666 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.64537 -1.77327 -0.11240 force_rgl> df(natom) 0.00000 0.00000 0.00000 505.0000 16 0 -34.36975 1.56859 2.01677 -34.39433 322.45868 510.0000 16 0 -35.90198 1.00214 1.87597 -35.28835 691.43024 515.0000 16 0 -36.57966 0.62819 1.74896 -36.09483 486.74988 520.0000 16 0 -36.74216 0.71636 1.65205 -36.71011 374.50102 525.0000 16 0 -36.91067 0.75726 1.64380 -36.76253 333.17610 530.0000 16 0 -36.86480 0.62723 1.62476 -36.88344 316.49311 535.0000 16 0 -36.84358 0.65798 1.63217 -36.83639 333.10001 540.0000 16 0 -36.85462 0.58117 1.64240 -36.77140 337.97015 545.0000 16 0 -36.55932 0.66637 1.62981 -36.85134 322.43370 550.0000 16 0 -36.79090 0.59346 1.63066 -36.84595 316.60131 555.0000 16 0 -36.77151 0.67848 1.63895 -36.79330 325.41412 560.0000 16 0 -36.90867 0.65050 1.62689 -36.86989 309.51737 565.0000 16 0 -36.92659 0.71853 1.60583 -37.00364 277.12277 570.0000 16 0 -36.73892 0.86821 1.61881 -36.92118 299.47763 575.0000 16 0 -37.09236 0.60534 1.61186 -36.96531 299.58257 580.0000 16 0 -36.79747 0.69108 1.59037 -37.10176 260.06420 585.0000 16 0 -36.70384 0.55712 1.65678 -36.68007 360.00525 590.0000 16 0 -36.76727 0.66559 1.64971 -36.72497 339.68445 595.0000 16 0 -36.47551 0.82434 1.67490 -36.56504 400.48892 600.0000 16 0 -36.51495 0.62262 1.69106 -36.46247 410.97886 605.0000 16 0 -36.83520 0.66806 1.66485 -36.62883 359.66819 610.0000 16 0 -36.83717 0.62796 1.64599 -36.74861 332.16855 615.0000 16 0 -36.55073 0.64281 1.66292 -36.64111 369.82728 620.0000 16 0 -36.85816 0.65654 1.64909 -36.72895 342.55709 625.0000 16 0 -36.87372 0.65433 1.62769 -36.86480 302.84853 630.0000 16 0 -36.94708 0.52805 1.61076 -36.97230 291.89439 635.0000 16 0 -36.97081 0.58754 1.61641 -36.93641 303.93682 640.0000 16 0 -37.18403 0.44400 1.59879 -37.04829 275.59980 645.0000 16 0 -37.12651 0.52408 1.58771 -37.11865 262.27130 650.0000 16 0 -36.75551 0.63355 1.60446 -37.01230 278.06986 655.0000 16 0 -36.78629 0.64897 1.65651 -36.68181 357.53146 660.0000 16 0 -36.83872 0.73261 1.64357 -36.76399 347.97732 665.0000 16 0 -36.99911 0.64601 1.62077 -36.90875 313.16147 670.0000 16 0 -37.13370 0.40253 1.58609 -37.12894 250.42729 675.0000 16 0 -36.66140 0.77272 1.61553 -36.94201 290.16584 680.0000 16 0 -36.66151 0.84045 1.64547 -36.75190 344.72422 685.0000 16 0 -36.80249 0.46823 1.65556 -36.68787 369.25359 690.0000 16 0 -36.78681 0.71273 1.62770 -36.86473 320.69718 695.0000 16 0 -36.45138 0.84994 1.65053 -36.71981 352.30675 700.0000 16 0 -37.04000 0.53567 1.64163 -36.77628 331.58454 705.0000 16 0 -37.04427 0.57685 1.59678 -37.06108 276.76745 710.0000 16 0 -37.37920 0.33816 1.57059 -37.22735 225.72194 715.0000 16 0 -37.01272 0.57601 1.56717 -37.24911 209.86426 720.0000 16 0 -36.81597 0.70530 1.62816 -36.86185 315.39438 725.0000 16 0 -37.20619 0.53492 1.62284 -36.89559 311.08760 730.0000 16 0 -36.85311 0.63394 1.61265 -36.96031 296.70507 735.0000 16 0 -36.87354 0.51868 1.63361 -36.82723 340.44298 740.0000 16 0 -37.09324 0.53140 1.61358 -36.95438 286.71187 745.0000 16 0 -37.05130 0.56256 1.60187 -37.02874 286.13960 750.0000 16 0 -36.82765 0.68881 1.62926 -36.85483 322.65388 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.04745 1.40698 -1.29998 force_rgl> df(natom) 0.00000 0.00000 0.00000 755.0000 17 0 -36.47761 1.76128 2.03582 -36.69020 379.93839 760.0000 17 0 -38.04630 1.23089 1.91386 -37.49655 639.17397 765.0000 17 0 -38.86550 0.88047 1.76091 -38.50778 462.12667 770.0000 17 0 -38.71839 1.22536 1.73142 -38.70274 468.12554 775.0000 17 0 -39.29548 0.71665 1.68156 -39.03236 388.93983 780.0000 17 0 -39.10921 0.55849 1.66265 -39.15738 335.72086 785.0000 17 0 -39.19519 0.70874 1.66175 -39.16338 333.78805 790.0000 17 0 -39.27682 0.76820 1.65496 -39.20828 323.89777 795.0000 17 0 -39.09371 0.66789 1.66900 -39.11545 355.48551 800.0000 17 0 -39.30792 0.75020 1.64058 -39.30330 331.67708 805.0000 17 0 -39.23145 0.93377 1.64352 -39.28391 325.68506 810.0000 17 0 -38.82657 0.69870 1.69770 -38.92568 390.33581 815.0000 17 0 -39.20760 0.80105 1.69070 -38.97196 393.26129 820.0000 17 0 -39.05821 0.61336 1.66060 -39.17093 349.96561 825.0000 17 0 -39.10854 0.74232 1.66808 -39.12151 356.62783 830.0000 17 0 -39.27627 0.60450 1.64206 -39.29352 315.26532 835.0000 17 0 -39.58545 0.42844 1.63793 -39.32083 318.01184 840.0000 17 0 -39.49777 0.55731 1.62437 -39.41051 297.00103 845.0000 17 0 -39.58404 0.61974 1.62037 -39.43695 297.28079 850.0000 17 0 -39.49843 0.43380 1.61825 -39.45095 292.07663 855.0000 17 0 -39.34020 0.55752 1.63142 -39.36388 316.58949 860.0000 17 0 -39.04560 0.76448 1.66844 -39.11912 368.71650 865.0000 17 0 -38.82079 0.85560 1.69552 -38.94008 403.14970 870.0000 17 0 -38.90359 1.02365 1.72454 -38.74821 422.03266 875.0000 17 0 -39.41003 0.76907 1.67363 -39.08479 387.27143 880.0000 17 0 -39.48134 0.68878 1.61094 -39.49930 285.72913 885.0000 17 0 -39.37582 0.69121 1.61081 -39.50016 275.43859 890.0000 17 0 -39.24024 0.74911 1.65283 -39.22236 342.58565 895.0000 17 0 -39.12680 0.87095 1.64003 -39.30696 319.86149 900.0000 17 0 -39.23591 0.90353 1.65160 -39.23049 342.91171 905.0000 17 0 -39.13026 0.88065 1.66606 -39.13489 359.24956 910.0000 17 0 -39.14698 0.78506 1.66945 -39.11242 376.23930 915.0000 17 0 -39.17208 0.64164 1.65531 -39.20593 344.51974 920.0000 17 0 -39.08304 0.84999 1.65582 -39.20260 338.17279 925.0000 17 0 -39.06624 0.76285 1.65540 -39.20537 350.91224 930.0000 17 0 -39.67914 0.53775 1.62812 -39.38571 309.78726 935.0000 17 0 -39.34685 0.58193 1.62202 -39.42603 294.48866 940.0000 17 0 -39.47354 0.67763 1.64738 -39.25836 329.82833 945.0000 17 0 -39.47941 0.66041 1.62679 -39.39450 306.26905 950.0000 17 0 -39.49205 0.45533 1.61637 -39.46340 284.53970 955.0000 17 0 -39.62435 0.61660 1.60908 -39.51156 271.47672 960.0000 17 0 -39.36413 0.59230 1.60887 -39.51300 272.12059 965.0000 17 0 -39.23737 0.76099 1.62954 -39.37629 342.21042 970.0000 17 0 -39.37916 0.65278 1.65068 -39.23654 352.58331 975.0000 17 0 -39.09720 0.87753 1.65775 -39.18982 351.10659 980.0000 17 0 -39.30129 0.93585 1.66657 -39.13149 377.10543 985.0000 17 0 -39.48681 0.56048 1.62196 -39.42645 291.84609 990.0000 17 0 -39.17608 0.80364 1.62052 -39.43594 292.45721 995.0000 17 0 -39.50222 0.72479 1.65551 -39.20462 357.84475 1000.0000 17 0 -39.59536 0.49695 1.63466 -39.34243 317.16220 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.25193 1.25117 2.46640 force_rgl> df(natom) 0.00000 0.00000 0.00000 1005.0000 18 0 -39.43900 0.56491 1.98872 -39.44091 281.02860 1010.0000 18 0 -40.59664 1.42354 1.93667 -39.79838 567.82575 1015.0000 18 0 -41.14912 0.94249 1.77523 -40.90719 476.22324 1020.0000 18 0 -41.82019 0.70066 1.66979 -41.63141 337.04556 1025.0000 18 0 -41.60697 0.69169 1.65867 -41.70778 337.57594 1030.0000 18 0 -41.28833 1.03599 1.68455 -41.53003 360.60530 1035.0000 18 0 -41.26095 1.01139 1.73508 -41.18295 415.88397 1040.0000 18 0 -41.46811 0.70369 1.67304 -41.60911 341.26923 1045.0000 18 0 -41.53872 0.84725 1.69086 -41.48668 373.10609 1050.0000 18 0 -41.24370 0.80005 1.69398 -41.46523 378.68645 1055.0000 18 0 -41.73968 0.60595 1.67046 -41.62677 329.29332 1060.0000 18 0 -41.69223 0.65377 1.65817 -41.71124 331.40311 1065.0000 18 0 -41.72599 0.73071 1.65585 -41.72713 322.11164 1070.0000 18 0 -41.86100 0.54828 1.65412 -41.73905 318.40166 1075.0000 18 0 -42.08280 0.53475 1.62525 -41.93729 277.78897 1080.0000 18 0 -41.59805 0.72434 1.63035 -41.90227 272.18683 1085.0000 18 0 -41.63231 0.71536 1.66659 -41.65341 346.92102 1090.0000 18 0 -41.15965 0.87674 1.70608 -41.38217 393.53114 1095.0000 18 0 -41.70435 0.80276 1.68038 -41.55868 353.43807 1100.0000 18 0 -41.66335 0.68387 1.66458 -41.66721 335.32783 1105.0000 18 0 -41.39592 0.80624 1.68064 -41.55687 383.08054 1110.0000 18 0 -41.48075 0.62954 1.70180 -41.41159 398.92738 1115.0000 18 0 -41.39696 0.97016 1.68185 -41.54856 371.00425 1120.0000 18 0 -41.59502 0.80259 1.70817 -41.36783 416.22370 1125.0000 18 0 -41.59576 0.65083 1.69218 -41.47761 364.09072 1130.0000 18 0 -41.42088 0.84135 1.68832 -41.50412 356.95076 1135.0000 18 0 -41.17449 1.17433 1.71836 -41.29785 405.24731 1140.0000 18 0 -41.60846 0.70257 1.70653 -41.37904 401.37795 1145.0000 18 0 -41.44780 0.82450 1.66541 -41.66150 340.04949 1150.0000 18 0 -41.51086 0.94450 1.68686 -41.51419 372.30814 1155.0000 18 0 -41.61377 0.82030 1.66688 -41.65141 343.55311 1160.0000 18 0 -42.04160 0.52016 1.63440 -41.87449 278.07342 1165.0000 18 0 -41.85596 0.83475 1.63771 -41.85173 293.49168 1170.0000 18 0 -41.58518 0.76778 1.65734 -41.71693 317.01522 1175.0000 18 0 -41.49188 1.02087 1.67429 -41.60050 357.84070 1180.0000 18 0 -41.91993 0.49646 1.66446 -41.66799 336.21934 1185.0000 18 0 -41.94757 0.58980 1.61979 -41.97479 274.18189 1190.0000 18 0 -41.84779 0.56978 1.63363 -41.87975 297.07905 1195.0000 18 0 -41.87184 0.68715 1.64534 -41.79937 318.64257 1200.0000 18 0 -41.89302 0.47267 1.61767 -41.98937 275.22850 1205.0000 18 0 -41.96244 0.61132 1.64379 -41.80996 314.38891 1210.0000 18 0 -41.83998 0.62892 1.62072 -41.96840 267.15099 1215.0000 18 0 -42.13900 0.45311 1.63024 -41.90303 287.01430 1220.0000 18 0 -41.84412 0.68415 1.60504 -42.07612 245.88236 1225.0000 18 0 -41.54291 0.69177 1.67121 -41.62164 327.65276 1230.0000 18 0 -41.64913 0.83115 1.68908 -41.49891 376.10356 1235.0000 18 0 -41.67279 0.73841 1.67743 -41.57891 347.26476 1240.0000 18 0 -41.95711 0.64582 1.64643 -41.79185 304.00281 1245.0000 18 0 -41.69326 0.60540 1.63346 -41.88095 284.63587 1250.0000 18 0 -41.61229 0.85818 1.68333 -41.53839 353.86899 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.48733 0.05369 -1.23708 force_rgl> df(natom) 0.00000 0.00000 0.00000 1255.0000 19 0 -42.02288 1.55206 2.00614 -41.76555 335.35906 1260.0000 19 0 -42.93819 1.10757 1.89649 -42.54631 598.65153 1265.0000 19 0 -43.20033 0.84794 1.82087 -43.08471 510.07548 1270.0000 19 0 -43.79580 1.09672 1.76213 -43.50299 489.36629 1275.0000 19 0 -44.37140 0.92392 1.65821 -44.24293 373.25955 1280.0000 19 0 -44.58910 0.61799 1.62900 -44.45094 322.78288 1285.0000 19 0 -44.75819 0.63394 1.59044 -44.72547 274.18909 1290.0000 19 0 -44.42454 0.77710 1.61153 -44.57532 295.48831 1295.0000 19 0 -44.49384 0.61883 1.62866 -44.45334 319.47643 1300.0000 19 0 -44.23197 0.71618 1.61455 -44.55380 297.94925 1305.0000 19 0 -44.25088 0.53544 1.69148 -44.00605 414.07105 1310.0000 19 0 -44.30082 0.87011 1.64273 -44.35317 349.04726 1315.0000 19 0 -44.36868 0.69541 1.64396 -44.34443 342.38299 1320.0000 19 0 -44.75962 0.40253 1.60851 -44.59679 291.52346 1325.0000 19 0 -44.90230 0.61706 1.61309 -44.56420 297.56687 1330.0000 19 0 -44.93553 0.54792 1.58037 -44.79720 249.31887 1335.0000 19 0 -44.20087 0.93157 1.63728 -44.39197 340.52524 1340.0000 19 0 -44.25373 0.97759 1.66743 -44.17726 395.94701 1345.0000 19 0 -44.62239 0.75389 1.61892 -44.52268 305.70681 1350.0000 19 0 -44.83727 0.52806 1.57871 -44.80901 248.64279 1355.0000 19 0 -44.39598 0.77648 1.58904 -44.73546 268.16249 1360.0000 19 0 -44.17515 1.00074 1.64642 -44.32687 347.95192 1365.0000 19 0 -44.51851 0.77658 1.64678 -44.32434 351.27257 1370.0000 19 0 -44.46520 0.69038 1.60274 -44.63787 282.31922 1375.0000 19 0 -44.40752 0.97800 1.64148 -44.36208 340.64805 1380.0000 19 0 -44.39731 0.88742 1.62000 -44.51498 305.68959 1385.0000 19 0 -44.65373 0.63361 1.58091 -44.79331 244.62539 1390.0000 19 0 -44.53711 0.66762 1.61565 -44.54594 301.36696 1395.0000 19 0 -44.18989 1.01903 1.64795 -44.31601 352.65817 1400.0000 19 0 -44.41749 0.83322 1.64735 -44.32028 357.77939 1405.0000 19 0 -44.25544 1.10537 1.63777 -44.38851 344.76640 1410.0000 19 0 -44.55060 0.60483 1.61928 -44.52013 304.40162 1415.0000 19 0 -44.76325 0.59956 1.59585 -44.68693 269.86325 1420.0000 19 0 -44.75153 0.65131 1.59975 -44.65916 276.08626 1425.0000 19 0 -44.56913 0.74918 1.59364 -44.70270 276.07978 1430.0000 19 0 -44.52336 0.50715 1.60916 -44.59216 299.50397 1435.0000 19 0 -44.55550 0.63958 1.60864 -44.59589 291.50219 1440.0000 19 0 -44.34189 0.80005 1.61567 -44.54580 310.97621 1445.0000 19 0 -44.34574 0.82132 1.62213 -44.49981 306.98174 1450.0000 19 0 -44.61111 0.69708 1.61280 -44.56628 304.49710 1455.0000 19 0 -44.41026 0.82212 1.61486 -44.55162 301.13085 1460.0000 19 0 -44.53336 0.83297 1.62092 -44.50846 311.71450 1465.0000 19 0 -44.19180 1.06306 1.63945 -44.37648 334.45204 1470.0000 19 0 -44.34084 0.81877 1.63174 -44.43138 325.41108 1475.0000 19 0 -44.48269 0.68085 1.63600 -44.40108 332.56764 1480.0000 19 0 -44.72996 0.74238 1.62249 -44.49724 309.19927 1485.0000 19 0 -44.34162 0.77531 1.62454 -44.48271 334.38305 1490.0000 19 0 -44.62629 0.73775 1.61247 -44.56866 315.39841 1495.0000 19 0 -44.65703 0.63950 1.60110 -44.64960 289.56054 1500.0000 19 0 -44.55759 0.57836 1.61192 -44.57254 298.57495 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.73620 2.46448 -0.15718 force_rgl> df(natom) 0.00000 0.00000 0.00000 1505.0000 20 0 -44.57990 0.77634 1.95630 -44.58583 296.21956 1510.0000 20 0 -45.99421 1.23508 1.86062 -45.29086 545.12614 1515.0000 20 0 -46.27559 0.90830 1.72291 -46.30548 415.74061 1520.0000 20 0 -46.79278 0.77555 1.68673 -46.57210 367.46363 1525.0000 20 0 -46.96728 0.74121 1.63255 -46.97126 293.23620 1530.0000 20 0 -46.82419 0.48888 1.66555 -46.72812 351.71308 1535.0000 20 0 -46.73893 0.78006 1.65004 -46.84237 337.18166 1540.0000 20 0 -47.04570 0.58150 1.63596 -46.94613 300.73580 1545.0000 20 0 -46.96837 0.76210 1.64389 -46.88775 324.18739 1550.0000 20 0 -47.04126 0.83763 1.62572 -47.02156 292.19228 1555.0000 20 0 -47.19841 0.59067 1.63444 -46.95738 296.04638 1560.0000 20 0 -46.76250 0.95977 1.63294 -46.96842 298.71634 1565.0000 20 0 -46.88521 0.57712 1.63926 -46.92184 307.64861 1570.0000 20 0 -46.96677 0.69237 1.65098 -46.83545 323.38748 1575.0000 20 0 -47.01288 0.79533 1.63133 -46.98027 295.07403 1580.0000 20 0 -47.05412 0.89157 1.62636 -47.01691 298.52876 1585.0000 20 0 -46.85013 0.72456 1.63278 -46.96956 293.87804 1590.0000 20 0 -47.06803 0.59490 1.63418 -46.95927 296.43946 1595.0000 20 0 -46.79639 0.72362 1.64790 -46.85814 312.92866 1600.0000 20 0 -46.76819 0.78947 1.66383 -46.74076 334.87643 1605.0000 20 0 -46.66878 0.76558 1.65857 -46.77958 329.25913 1610.0000 20 0 -46.81045 0.81864 1.65429 -46.81109 314.57843 1615.0000 20 0 -46.83712 0.79214 1.65983 -46.77028 333.05984 1620.0000 20 0 -46.54906 0.96602 1.66488 -46.73309 339.32509 1625.0000 20 0 -46.49141 0.93100 1.69839 -46.48617 397.70716 1630.0000 20 0 -46.71975 0.73280 1.68303 -46.59930 378.85810 1635.0000 20 0 -46.55811 0.88997 1.68357 -46.59533 358.14879 1640.0000 20 0 -46.72862 0.69845 1.67625 -46.64930 328.01273 1645.0000 20 0 -46.62406 0.86475 1.67357 -46.66905 337.93728 1650.0000 20 0 -46.72829 0.52671 1.69318 -46.52457 382.85450 1655.0000 20 0 -47.01728 0.60248 1.64492 -46.88014 308.29348 1660.0000 20 0 -47.22278 0.62776 1.61394 -47.10836 263.93852 1665.0000 20 0 -46.69579 0.84072 1.62831 -47.00250 291.94506 1670.0000 20 0 -46.59526 0.70081 1.66253 -46.75035 336.38835 1675.0000 20 0 -46.78217 0.59390 1.67424 -46.66412 353.03647 1680.0000 20 0 -46.79615 0.57396 1.64914 -46.84903 305.50728 1685.0000 20 0 -46.65832 0.75048 1.68700 -46.57005 361.55691 1690.0000 20 0 -46.73074 1.01478 1.66943 -46.69950 341.83441 1695.0000 20 0 -46.84567 0.61017 1.66267 -46.74931 318.64305 1700.0000 20 0 -47.16433 0.53944 1.63984 -46.91754 303.15553 1705.0000 20 0 -46.67287 0.82554 1.63355 -46.96394 289.94933 1710.0000 20 0 -46.79958 0.73798 1.64907 -46.84956 318.06243 1715.0000 20 0 -47.03966 0.63197 1.64256 -46.89754 295.72582 1720.0000 20 0 -46.92451 0.86774 1.62300 -47.04161 267.78981 1725.0000 20 0 -46.75262 0.75069 1.65771 -46.78590 336.23168 1730.0000 20 0 -46.53349 0.89893 1.68282 -46.60088 372.90865 1735.0000 20 0 -46.44959 0.94345 1.70035 -46.47172 385.34404 1740.0000 20 0 -46.67847 0.75741 1.67716 -46.64255 348.88847 1745.0000 20 0 -46.68225 1.06254 1.68362 -46.59499 360.79664 1750.0000 20 0 -47.05394 0.68497 1.63463 -46.95598 291.34818 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.18800 0.07946 -0.34856 force_rgl> df(natom) 0.00000 0.00000 0.00000 1755.0000 21 0 -46.76735 0.72816 1.98526 -46.83884 310.83292 1760.0000 21 0 -48.50726 1.53245 1.87093 -47.70912 555.96049 1765.0000 21 0 -49.10087 0.83732 1.72688 -48.80555 411.47564 1770.0000 21 0 -49.56595 0.74781 1.64793 -49.40654 294.82755 1775.0000 21 0 -49.08123 0.69128 1.65750 -49.33363 318.46023 1780.0000 21 0 -49.10676 0.92348 1.68759 -49.10466 346.71890 1785.0000 21 0 -49.12238 0.92016 1.67897 -49.17027 347.05381 1790.0000 21 0 -49.51017 0.86744 1.65649 -49.34132 314.50415 1795.0000 21 0 -49.41516 0.73891 1.63946 -49.47101 292.00073 1800.0000 21 0 -49.35031 0.75754 1.65110 -49.38235 309.18276 1805.0000 21 0 -49.44482 0.94041 1.65286 -49.36902 313.39922 1810.0000 21 0 -49.61620 0.69531 1.63161 -49.53070 293.34197 1815.0000 21 0 -49.57175 0.76686 1.64709 -49.41292 295.56558 1820.0000 21 0 -49.37674 0.74358 1.64921 -49.39680 308.35651 1825.0000 21 0 -49.22205 0.65054 1.69044 -49.08294 361.78084 1830.0000 21 0 -49.65140 0.69515 1.63301 -49.52006 282.52907 1835.0000 21 0 -49.71720 0.61447 1.62476 -49.58285 274.69009 1840.0000 21 0 -49.21464 0.75146 1.63154 -49.53127 279.56475 1845.0000 21 0 -48.98949 1.20832 1.69358 -49.05901 373.17409 1850.0000 21 0 -48.81796 1.08682 1.71448 -48.89995 404.71732 1855.0000 21 0 -48.93069 1.27442 1.71048 -48.93043 408.82616 1860.0000 21 0 -49.09400 0.91427 1.69205 -49.07072 370.79325 1865.0000 21 0 -49.20024 0.81159 1.69268 -49.06591 345.23570 1870.0000 21 0 -49.71565 0.73831 1.65329 -49.36573 299.29759 1875.0000 21 0 -49.56452 0.62007 1.61852 -49.63041 261.91926 1880.0000 21 0 -49.65932 0.60083 1.62755 -49.56161 279.09324 1885.0000 21 0 -49.36496 0.66562 1.62848 -49.55456 282.56546 1890.0000 21 0 -49.03857 0.96057 1.67935 -49.16738 337.04023 1895.0000 21 0 -48.92800 1.05080 1.68443 -49.12867 338.67635 1900.0000 21 0 -49.21039 0.82961 1.68367 -49.13449 347.94947 1905.0000 21 0 -49.24441 0.92392 1.68167 -49.14967 352.27507 1910.0000 21 0 -49.41864 0.83254 1.66662 -49.26424 330.85039 1915.0000 21 0 -49.46528 0.76938 1.63775 -49.48400 285.46460 1920.0000 21 0 -49.27178 0.74833 1.64862 -49.40124 317.04419 1925.0000 21 0 -49.16509 0.99489 1.68195 -49.14757 345.12217 1930.0000 21 0 -49.22089 0.66418 1.67877 -49.17177 334.00365 1935.0000 21 0 -49.37239 0.75674 1.65245 -49.37209 307.96820 1940.0000 21 0 -49.35136 0.77972 1.66228 -49.29730 336.01767 1945.0000 21 0 -49.45813 0.71056 1.66616 -49.26777 331.56865 1950.0000 21 0 -49.27415 0.88445 1.64715 -49.41244 300.74243 1955.0000 21 0 -49.00477 1.00536 1.69043 -49.08304 376.75374 1960.0000 21 0 -49.07683 1.05361 1.69208 -49.07046 354.19095 1965.0000 21 0 -49.21258 0.91704 1.67630 -49.19060 306.25869 1970.0000 21 0 -48.81621 0.98028 1.68967 -49.08881 363.63897 1975.0000 21 0 -49.39567 0.84976 1.67959 -49.16551 356.33310 1980.0000 21 0 -49.22279 0.86811 1.65194 -49.37596 310.13994 1985.0000 21 0 -49.26119 0.88386 1.66284 -49.29301 308.81306 1990.0000 21 0 -49.05997 0.89740 1.68669 -49.11149 353.04285 1995.0000 21 0 -48.96630 1.12842 1.70260 -48.99036 364.33341 2000.0000 21 0 -49.53201 0.67800 1.66917 -49.24481 334.63436 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.11403 -2.79599 1.03057 force_rgl> df(natom) 0.00000 0.00000 0.00000 2005.0000 22 0 -49.49545 0.87596 1.97956 -49.35767 313.62226 2010.0000 22 0 -50.24387 1.38685 1.91797 -49.84119 605.64783 2015.0000 22 0 -50.95990 1.52901 1.80518 -50.72676 505.96085 2020.0000 22 0 -51.78400 1.03184 1.71852 -51.40716 413.11561 2025.0000 22 0 -51.72014 1.05530 1.68482 -51.67176 358.55350 2030.0000 22 0 -51.65290 0.84735 1.70967 -51.47667 385.06137 2035.0000 22 0 -51.73764 0.88226 1.68972 -51.63331 368.76141 2040.0000 22 0 -51.95138 0.80672 1.67747 -51.72950 346.33247 2045.0000 22 0 -51.84836 0.90973 1.65796 -51.88262 317.65535 2050.0000 22 0 -51.98869 0.84263 1.65396 -51.91408 321.58958 2055.0000 22 0 -51.98963 0.73819 1.64094 -52.01631 300.22233 2060.0000 22 0 -51.89118 0.76851 1.65076 -51.93922 305.17914 2065.0000 22 0 -52.32805 0.85949 1.63999 -52.02374 301.92876 2070.0000 22 0 -52.08832 0.84643 1.60807 -52.27436 249.30564 2075.0000 22 0 -51.70691 0.94929 1.64533 -51.98183 308.52315 2080.0000 22 0 -51.57879 1.33172 1.69103 -51.62303 371.90256 2085.0000 22 0 -51.60107 0.98913 1.67633 -51.73845 347.86946 2090.0000 22 0 -51.73583 1.03857 1.67086 -51.78139 337.92199 2095.0000 22 0 -52.13294 0.66030 1.65310 -51.92078 311.37567 2100.0000 22 0 -52.00140 0.82912 1.61939 -52.18545 267.72586 2105.0000 22 0 -51.91250 0.78229 1.64945 -51.94946 308.16474 2110.0000 22 0 -52.03065 0.85055 1.64001 -52.02360 307.28617 2115.0000 22 0 -51.64757 0.93834 1.66868 -51.79852 346.68140 2120.0000 22 0 -51.85315 0.86435 1.66329 -51.84079 335.97968 2125.0000 22 0 -51.91657 0.78407 1.65956 -51.87007 325.46179 2130.0000 22 0 -52.17127 0.65019 1.64018 -52.02226 307.15881 2135.0000 22 0 -51.90227 0.79998 1.65203 -51.92924 322.44817 2140.0000 22 0 -51.56445 0.81381 1.67812 -51.72439 342.30525 2145.0000 22 0 -51.63649 0.95815 1.68281 -51.68757 341.86533 2150.0000 22 0 -51.97584 0.95752 1.67161 -51.77552 343.29741 2155.0000 22 0 -51.92188 0.82343 1.65213 -51.92841 312.38732 2160.0000 22 0 -52.07188 0.67256 1.64476 -51.98631 301.96135 2165.0000 22 0 -51.61949 1.02839 1.66816 -51.80260 334.58508 2170.0000 22 0 -51.68791 0.99408 1.67510 -51.74811 336.49813 2175.0000 22 0 -51.54009 1.15251 1.66550 -51.82347 331.11459 2180.0000 22 0 -51.88408 0.76695 1.68374 -51.68026 372.89946 2185.0000 22 0 -52.14111 0.75684 1.66758 -51.80710 339.56098 2190.0000 22 0 -52.09405 0.76904 1.65296 -51.92190 317.39052 2195.0000 22 0 -51.72476 1.04801 1.65477 -51.90771 328.36478 2200.0000 22 0 -51.88032 0.70132 1.66912 -51.79505 344.11382 2205.0000 22 0 -52.13348 0.77965 1.63527 -52.06080 299.01564 2210.0000 22 0 -52.16514 0.74789 1.63449 -52.06693 282.07091 2215.0000 22 0 -52.22749 0.69007 1.61019 -52.25774 257.54807 2220.0000 22 0 -52.21715 0.67297 1.60612 -52.28964 259.60129 2225.0000 22 0 -51.89234 0.89755 1.63253 -52.08228 294.05104 2230.0000 22 0 -52.03725 0.74782 1.64770 -51.96319 292.66972 2235.0000 22 0 -52.19824 0.66441 1.62817 -52.11657 284.60003 2240.0000 22 0 -52.09476 0.73856 1.60799 -52.27499 267.40140 2245.0000 22 0 -51.94833 0.90274 1.64181 -52.00944 306.41983 2250.0000 22 0 -51.64853 0.99402 1.65789 -51.88319 319.60768 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.72638 -0.31671 0.45442 force_rgl> df(natom) 0.00000 0.00000 0.00000 2255.0000 23 0 -51.86796 0.89071 1.98569 -51.79058 338.40056 2260.0000 23 0 -53.03557 1.43675 1.92130 -52.31131 568.66553 2265.0000 23 0 -53.77316 0.88988 1.78798 -53.38959 457.10455 2270.0000 23 0 -54.20059 1.07895 1.69544 -54.13801 326.12388 2275.0000 23 0 -54.45499 0.90594 1.66333 -54.39773 316.11718 2280.0000 23 0 -54.65239 0.85444 1.65985 -54.42584 320.77929 2285.0000 23 0 -54.74689 0.82373 1.61816 -54.76300 271.10172 2290.0000 23 0 -54.56946 0.84285 1.63988 -54.58732 304.13410 2295.0000 23 0 -54.63654 0.89548 1.62688 -54.69246 283.04947 2300.0000 23 0 -54.06887 1.05778 1.66726 -54.36587 333.15724 2305.0000 23 0 -54.33286 0.93338 1.67016 -54.34247 313.65535 2310.0000 23 0 -54.33382 0.95985 1.65756 -54.44434 315.44782 2315.0000 23 0 -54.44089 0.79573 1.64909 -54.51288 303.88764 2320.0000 23 0 -54.85386 0.75648 1.62894 -54.67579 280.34469 2325.0000 23 0 -54.29934 1.03269 1.65801 -54.44072 333.50489 2330.0000 23 0 -54.50649 0.88998 1.64786 -54.52278 300.60057 2335.0000 23 0 -54.25180 1.02336 1.65285 -54.48247 287.21181 2340.0000 23 0 -54.29579 0.89960 1.66302 -54.40021 320.83153 2345.0000 23 0 -54.60912 0.71935 1.65024 -54.50352 309.85022 2350.0000 23 0 -54.59873 0.54217 1.65092 -54.49803 304.62825 2355.0000 23 0 -54.35294 1.05602 1.66132 -54.41397 318.49282 2360.0000 23 0 -54.21066 0.78234 1.69364 -54.15256 368.30820 2365.0000 23 0 -54.41654 0.70899 1.69139 -54.17073 363.26690 2370.0000 23 0 -54.59333 0.72770 1.64578 -54.53959 303.30452 2375.0000 23 0 -54.77007 0.82762 1.65511 -54.46420 316.38152 2380.0000 23 0 -54.34248 0.94823 1.65657 -54.45236 317.74446 2385.0000 23 0 -54.03681 0.98773 1.68015 -54.26165 351.95240 2390.0000 23 0 -54.10325 1.44273 1.70028 -54.09888 370.27476 2395.0000 23 0 -54.71468 0.63554 1.64139 -54.57512 289.66695 2400.0000 23 0 -55.05005 0.55529 1.60276 -54.88756 249.73390 2405.0000 23 0 -54.61246 0.97507 1.61104 -54.82062 254.48229 2410.0000 23 0 -54.62441 0.71742 1.65646 -54.45322 318.92952 2415.0000 23 0 -54.47969 0.91812 1.62755 -54.68703 275.03258 2420.0000 23 0 -54.27585 0.90504 1.67726 -54.28499 340.05672 2425.0000 23 0 -54.13539 0.89831 1.65352 -54.47700 317.42971 2430.0000 23 0 -54.38998 0.77457 1.69115 -54.17271 365.17925 2435.0000 23 0 -54.64580 0.86138 1.64359 -54.55737 299.30628 2440.0000 23 0 -54.71092 0.72415 1.64462 -54.54897 295.89480 2445.0000 23 0 -54.36255 1.13039 1.65523 -54.46321 310.00934 2450.0000 23 0 -54.52182 0.64522 1.66594 -54.37661 338.04521 2455.0000 23 0 -54.53316 0.73633 1.63090 -54.65998 277.54524 2460.0000 23 0 -54.68306 0.80849 1.62798 -54.68356 283.83407 2465.0000 23 0 -54.61431 0.67227 1.64496 -54.54626 296.39348 2470.0000 23 0 -54.62776 0.88028 1.63209 -54.65034 281.58732 2475.0000 23 0 -54.50391 0.67424 1.64811 -54.52075 306.19791 2480.0000 23 0 -54.09008 1.08933 1.68555 -54.21795 354.46023 2485.0000 23 0 -54.61211 0.88441 1.69244 -54.16222 359.36693 2490.0000 23 0 -54.54481 0.86006 1.66030 -54.42218 319.84987 2495.0000 23 0 -54.42555 0.88678 1.65863 -54.43573 314.09851 2500.0000 23 0 -54.46598 0.76765 1.66526 -54.38210 319.17356 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.76446 1.41757 -2.70045 force_rgl> df(natom) 0.00000 0.00000 0.00000 2505.0000 24 0 -54.55930 1.57532 1.97119 -54.39908 349.76410 2510.0000 24 0 -56.24664 1.03315 1.83207 -55.55655 481.81836 2515.0000 24 0 -56.79396 0.85601 1.71795 -56.50607 345.14887 2520.0000 24 0 -56.63387 1.24960 1.66052 -56.98393 296.38705 2525.0000 24 0 -56.69688 0.86937 1.67458 -56.86689 307.59205 2530.0000 24 0 -56.72020 1.06236 1.70428 -56.61982 338.71333 2535.0000 24 0 -56.76084 1.10596 1.67312 -56.87906 312.94894 2540.0000 24 0 -57.12824 0.79946 1.66074 -56.98211 308.46657 2545.0000 24 0 -57.11154 0.86009 1.65141 -57.05974 282.57704 2550.0000 24 0 -56.91096 0.99210 1.64351 -57.12542 279.43361 2555.0000 24 0 -56.88292 0.81718 1.66090 -56.98076 305.18854 2560.0000 24 0 -57.04818 0.79182 1.64136 -57.14333 273.95005 2565.0000 24 0 -57.08405 0.55413 1.66255 -56.96701 291.25249 2570.0000 24 0 -57.14449 0.81962 1.64241 -57.13458 271.53225 2575.0000 24 0 -57.18315 0.87549 1.64820 -57.08642 284.95140 2580.0000 24 0 -57.18024 0.94940 1.64119 -57.14472 259.11350 2585.0000 24 0 -56.79977 1.11563 1.67849 -56.83443 323.42581 2590.0000 24 0 -56.72666 1.01772 1.68366 -56.79141 337.93938 2595.0000 24 0 -56.95274 0.91741 1.69030 -56.73617 322.82089 2600.0000 24 0 -56.60716 1.04387 1.67055 -56.90049 311.84733 2605.0000 24 0 -57.23888 0.90652 1.67667 -56.84958 312.91053 2610.0000 24 0 -57.05327 0.94012 1.63096 -57.22987 261.43416 2615.0000 24 0 -56.61923 1.07761 1.66761 -56.92494 306.01863 2620.0000 24 0 -56.97798 0.82483 1.68719 -56.76199 346.92056 2625.0000 24 0 -56.94845 0.73789 1.65730 -57.01072 292.36074 2630.0000 24 0 -57.08875 0.88783 1.65456 -57.03352 301.06811 2635.0000 24 0 -56.85945 0.95121 1.66064 -56.98295 301.15909 2640.0000 24 0 -56.58626 0.97817 1.67056 -56.90038 329.13044 2645.0000 24 0 -56.70521 1.01704 1.69438 -56.70216 337.40092 2650.0000 24 0 -56.95183 0.77377 1.67213 -56.88728 308.24234 2655.0000 24 0 -57.04367 0.86998 1.66944 -56.90972 309.62002 2660.0000 24 0 -56.93476 0.88520 1.64865 -57.08272 267.87102 2665.0000 24 0 -56.76201 0.99108 1.67228 -56.88608 297.83326 2670.0000 24 0 -57.29447 0.72634 1.67411 -56.87082 307.48938 2675.0000 24 0 -56.94072 1.02038 1.63838 -57.16810 255.42464 2680.0000 24 0 -57.10879 0.73768 1.64209 -57.13722 269.47005 2685.0000 24 0 -56.99912 0.84687 1.64126 -57.14414 272.14284 2690.0000 24 0 -56.67447 1.20793 1.66301 -56.96323 308.01195 2695.0000 24 0 -57.02519 0.91429 1.67396 -56.87209 328.86926 2700.0000 24 0 -57.25685 0.91457 1.63933 -57.16025 270.82774 2705.0000 24 0 -56.93768 1.02620 1.65146 -57.05932 283.33620 2710.0000 24 0 -56.93680 0.96985 1.65921 -56.99480 286.33468 2715.0000 24 0 -56.77544 0.96016 1.66737 -56.92689 301.89091 2720.0000 24 0 -56.98637 0.88096 1.65692 -57.01390 288.82201 2725.0000 24 0 -57.15696 0.73601 1.64777 -57.08999 281.32754 2730.0000 24 0 -56.96710 1.09957 1.66129 -56.97754 297.53905 2735.0000 24 0 -56.56835 1.05066 1.68590 -56.77278 329.42596 2740.0000 24 0 -56.21014 1.18222 1.72331 -56.46144 377.12559 2745.0000 24 0 -56.97024 0.89811 1.72948 -56.41013 376.33272 2750.0000 24 0 -56.91310 0.99251 1.66341 -56.95988 299.52660 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.28626 -2.51196 -1.43756 force_rgl> df(natom) 0.00000 0.00000 0.00000 2755.0000 25 0 -57.02049 2.32901 1.95550 -57.03074 301.74247 2760.0000 25 0 -58.54061 1.31635 1.84928 -57.93885 514.04929 2765.0000 25 0 -58.94761 1.19440 1.75056 -58.78290 389.80447 2770.0000 25 0 -59.44156 0.85075 1.71293 -59.10467 346.30054 2775.0000 25 0 -59.33010 0.87636 1.68293 -59.36118 313.93212 2780.0000 25 0 -59.14727 1.07893 1.70251 -59.19371 339.57587 2785.0000 25 0 -59.22940 0.96666 1.71520 -59.08521 338.00752 2790.0000 25 0 -59.28504 0.90847 1.68533 -59.34063 312.08407 2795.0000 25 0 -59.16678 1.21259 1.67676 -59.41392 295.31249 2800.0000 25 0 -59.22955 0.99887 1.70248 -59.19401 342.26238 2805.0000 25 0 -58.99905 1.25554 1.72416 -59.00862 359.86823 2810.0000 25 0 -59.07350 0.95658 1.73543 -58.91228 366.01158 2815.0000 25 0 -58.57308 1.41502 1.75590 -58.73728 359.28705 2820.0000 25 0 -59.33538 1.09344 1.73211 -58.94065 416.98252 2825.0000 25 0 -59.52841 0.85097 1.67475 -59.43108 326.13427 2830.0000 25 0 -59.92365 0.70018 1.64670 -59.67091 281.09337 2835.0000 25 0 -59.81972 0.76846 1.60234 -60.05020 224.08188 2840.0000 25 0 -59.66662 0.89121 1.65262 -59.62029 286.60623 2845.0000 25 0 -59.59592 0.77901 1.65929 -59.56330 299.09384 2850.0000 25 0 -59.62860 1.10273 1.65572 -59.59381 301.16621 2855.0000 25 0 -59.69530 0.86351 1.65854 -59.56965 302.75233 2860.0000 25 0 -60.03901 0.73728 1.62336 -59.87051 247.73967 2865.0000 25 0 -59.85906 0.81094 1.61354 -59.95443 241.28652 2870.0000 25 0 -59.94254 0.82215 1.62073 -59.89293 249.07180 2875.0000 25 0 -59.96723 0.72366 1.60410 -60.03512 226.32412 2880.0000 25 0 -59.54924 0.84369 1.65108 -59.63343 282.05586 2885.0000 25 0 -59.67423 0.98927 1.64876 -59.65332 278.70101 2890.0000 25 0 -59.83490 0.88127 1.65813 -59.57318 292.67256 2895.0000 25 0 -59.68705 0.91162 1.64044 -59.72446 262.65375 2900.0000 25 0 -59.21344 0.95834 1.67558 -59.42403 318.67427 2905.0000 25 0 -59.48659 1.01584 1.71237 -59.10944 352.34678 2910.0000 25 0 -59.47883 1.15620 1.67531 -59.42632 317.50672 2915.0000 25 0 -59.71565 0.98248 1.64465 -59.68840 276.75993 2920.0000 25 0 -59.44334 1.03486 1.64840 -59.65635 287.22202 2925.0000 25 0 -59.60725 0.84009 1.68097 -59.37794 327.77291 2930.0000 25 0 -59.53296 0.84976 1.67347 -59.44204 317.24373 2935.0000 25 0 -59.34833 0.86694 1.67375 -59.43964 310.08986 2940.0000 25 0 -59.25282 1.09819 1.68760 -59.32124 336.52348 2945.0000 25 0 -59.16501 1.01940 1.69304 -59.27472 339.37563 2950.0000 25 0 -59.51569 0.83090 1.66589 -59.50681 303.94667 2955.0000 25 0 -59.28791 1.13861 1.66816 -59.48747 303.57459 2960.0000 25 0 -58.98347 0.98571 1.71837 -59.05818 362.63752 2965.0000 25 0 -59.29511 1.18942 1.71043 -59.12600 361.13091 2970.0000 25 0 -59.83908 0.94946 1.68585 -59.33619 344.82667 2975.0000 25 0 -59.14489 0.99542 1.66301 -59.53151 307.29011 2980.0000 25 0 -59.62754 0.84620 1.67115 -59.46187 314.39782 2985.0000 25 0 -59.29803 1.16760 1.66456 -59.51822 301.61688 2990.0000 25 0 -59.53153 0.90265 1.69146 -59.28820 345.52625 2995.0000 25 0 -59.62119 1.01230 1.65868 -59.56846 302.00980 3000.0000 25 0 -59.52524 0.93297 1.65845 -59.57044 310.83715 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.87718 -0.56766 2.05336 force_rgl> df(natom) 0.00000 0.00000 0.00000 3005.0000 26 0 -59.35871 2.10211 1.95069 -59.57999 317.04144 3010.0000 26 0 -60.67098 1.69842 1.88399 -60.16538 530.21530 3015.0000 26 0 -61.40216 1.27279 1.78389 -61.04392 435.71999 3020.0000 26 0 -61.96292 1.08668 1.72486 -61.56200 366.09666 3025.0000 26 0 -62.21576 0.93917 1.66889 -62.05320 301.61174 3030.0000 26 0 -61.83280 0.93665 1.69439 -61.82938 326.19551 3035.0000 26 0 -61.82993 1.23803 1.68892 -61.87741 330.73017 3040.0000 26 0 -62.21166 0.93166 1.64179 -62.29102 271.38420 3045.0000 26 0 -61.79973 1.10786 1.66793 -62.06161 299.93983 3050.0000 26 0 -61.80838 1.02424 1.70985 -61.69372 346.57938 3055.0000 26 0 -62.10404 0.83200 1.68743 -61.89046 326.23158 3060.0000 26 0 -62.11314 1.11654 1.68082 -61.94847 318.93875 3065.0000 26 0 -61.53171 1.28516 1.68958 -61.87156 335.65754 3070.0000 26 0 -62.17664 0.87830 1.67996 -61.95601 318.83219 3075.0000 26 0 -62.14610 1.14672 1.66068 -62.12520 283.01911 3080.0000 26 0 -62.18452 0.73825 1.64482 -62.26443 265.60936 3085.0000 26 0 -62.28543 0.84260 1.66206 -62.11310 294.62568 3090.0000 26 0 -62.04486 0.95668 1.65293 -62.19322 290.03349 3095.0000 26 0 -62.16660 1.07204 1.65353 -62.18796 291.01972 3100.0000 26 0 -61.99301 0.96410 1.66724 -62.06770 310.52408 3105.0000 26 0 -61.89215 1.06140 1.67988 -61.95670 326.09674 3110.0000 26 0 -62.17674 0.80691 1.64848 -62.23234 273.23504 3115.0000 26 0 -62.03751 0.97203 1.65896 -62.14030 288.48594 3120.0000 26 0 -62.40131 0.74067 1.65224 -62.19933 284.76067 3125.0000 26 0 -61.95618 0.99100 1.65802 -62.14857 292.59636 3130.0000 26 0 -62.21857 1.04381 1.67959 -61.95930 326.43426 3135.0000 26 0 -62.29051 0.91992 1.64441 -62.26803 281.70442 3140.0000 26 0 -62.20537 1.04701 1.65299 -62.19273 283.80267 3145.0000 26 0 -61.42741 1.18668 1.70246 -61.75854 358.18649 3150.0000 26 0 -61.62554 1.07694 1.73608 -61.46347 399.96371 3155.0000 26 0 -61.98128 1.03470 1.66762 -62.06433 303.85058 3160.0000 26 0 -62.03491 0.99230 1.67525 -61.99737 320.59431 3165.0000 26 0 -62.08594 1.12700 1.63930 -62.31290 277.55960 3170.0000 26 0 -61.85114 0.82639 1.66461 -62.09071 298.55797 3175.0000 26 0 -62.06895 0.95237 1.68565 -61.90605 327.79919 3180.0000 26 0 -61.81625 0.84653 1.67563 -61.99400 310.40577 3185.0000 26 0 -61.28189 1.47313 1.71951 -61.60893 363.82579 3190.0000 26 0 -61.86717 1.21275 1.72825 -61.53224 379.55199 3195.0000 26 0 -62.13747 1.07596 1.66678 -62.07171 304.61952 3200.0000 26 0 -62.04973 0.79441 1.65172 -62.20388 287.36112 3205.0000 26 0 -62.10249 0.97413 1.67827 -61.97083 313.60309 3210.0000 26 0 -61.97296 1.14579 1.68282 -61.93092 337.10993 3215.0000 26 0 -62.04501 1.23470 1.67267 -62.01998 311.88655 3220.0000 26 0 -62.00532 1.23399 1.66757 -62.06480 305.93137 3225.0000 26 0 -62.22124 1.19213 1.66346 -62.10082 308.90336 3230.0000 26 0 -61.81736 0.97130 1.67244 -62.02207 308.06529 3235.0000 26 0 -61.68811 1.36226 1.71854 -61.61743 380.21725 3240.0000 26 0 -61.64788 1.23899 1.71245 -61.67092 367.03314 3245.0000 26 0 -62.08195 0.87890 1.68309 -61.92858 313.06160 3250.0000 26 0 -61.77318 1.27023 1.68278 -61.93131 321.10451 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.29024 0.45234 -3.34472 force_rgl> df(natom) 0.00000 0.00000 0.00000 3255.0000 27 0 -61.97684 2.41395 1.96858 -61.93276 329.55551 3260.0000 27 0 -63.51803 1.48973 1.87622 -62.76402 537.02304 3265.0000 27 0 -64.40403 1.38708 1.75924 -63.81688 409.70407 3270.0000 27 0 -64.38216 1.29893 1.68891 -64.44983 326.10171 3275.0000 27 0 -64.63620 0.84706 1.68556 -64.47999 316.52789 3280.0000 27 0 -64.46598 0.99806 1.67502 -64.57484 308.58349 3285.0000 27 0 -64.74867 0.81302 1.67164 -64.60523 301.02067 3290.0000 27 0 -64.59458 1.07841 1.66690 -64.64786 288.21068 3295.0000 27 0 -65.06550 0.94031 1.64849 -64.81361 282.95994 3300.0000 27 0 -65.00233 0.77485 1.62470 -65.02772 247.66700 3305.0000 27 0 -64.92033 0.85260 1.64559 -64.83972 273.33034 3310.0000 27 0 -64.74574 1.06935 1.65302 -64.77280 284.03919 3315.0000 27 0 -64.49036 1.05177 1.65684 -64.73843 286.88013 3320.0000 27 0 -64.79277 0.78634 1.66277 -64.68511 293.17146 3325.0000 27 0 -64.77809 1.12775 1.65033 -64.79705 285.73120 3330.0000 27 0 -64.34147 1.30695 1.68540 -64.48144 320.56995 3335.0000 27 0 -64.51894 0.87500 1.68489 -64.48602 317.43256 3340.0000 27 0 -64.60392 0.83214 1.67435 -64.58088 307.53857 3345.0000 27 0 -64.41389 0.83285 1.69902 -64.35886 341.53421 3350.0000 27 0 -64.28992 1.13310 1.69207 -64.42141 333.13873 3355.0000 27 0 -64.24858 1.44831 1.70802 -64.27785 354.30298 3360.0000 27 0 -64.23745 1.36956 1.71115 -64.24967 354.21257 3365.0000 27 0 -63.98195 1.41695 1.72637 -64.11271 375.28115 3370.0000 27 0 -64.45833 1.20059 1.69761 -64.37154 338.41882 3375.0000 27 0 -64.23581 1.12799 1.69875 -64.36129 325.03987 3380.0000 27 0 -64.57638 1.06565 1.68169 -64.51476 321.39401 3385.0000 27 0 -64.54784 1.10365 1.69926 -64.35667 337.11184 3390.0000 27 0 -64.73488 0.84710 1.66356 -64.67799 291.93526 3395.0000 27 0 -64.66833 1.01185 1.67257 -64.59685 307.13327 3400.0000 27 0 -64.58273 1.03771 1.65495 -64.75549 280.55654 3405.0000 27 0 -64.67325 1.10386 1.68018 -64.52839 328.47318 3410.0000 27 0 -64.66589 1.03086 1.66897 -64.62929 291.48730 3415.0000 27 0 -64.45802 0.97303 1.68674 -64.46931 326.03700 3420.0000 27 0 -64.51358 1.13915 1.69639 -64.38246 342.23207 3425.0000 27 0 -64.41060 1.11006 1.68280 -64.50483 316.19631 3430.0000 27 0 -64.47612 1.02139 1.68508 -64.48425 320.58241 3435.0000 27 0 -64.44993 0.89525 1.67951 -64.53438 309.81064 3440.0000 27 0 -64.84151 1.00813 1.66116 -64.69956 291.62105 3445.0000 27 0 -64.94088 1.12415 1.63102 -64.97079 247.03778 3450.0000 27 0 -64.80735 1.02402 1.66260 -64.68660 294.93621 3455.0000 27 0 -64.77505 0.99935 1.66489 -64.66602 293.00821 3460.0000 27 0 -64.93848 1.00703 1.65001 -64.79987 270.58944 3465.0000 27 0 -64.59245 1.16101 1.63932 -64.89613 264.63528 3470.0000 27 0 -64.57225 0.93361 1.65376 -64.76616 293.54786 3475.0000 27 0 -64.84419 1.04596 1.65417 -64.76247 294.42457 3480.0000 27 0 -64.45590 1.30545 1.68018 -64.52835 318.09659 3485.0000 27 0 -64.87917 0.90637 1.65187 -64.78317 281.87320 3490.0000 27 0 -64.74697 0.94688 1.64268 -64.86587 272.81312 3495.0000 27 0 -64.42033 1.02331 1.67094 -64.61156 311.81374 3500.0000 27 0 -64.69441 1.08347 1.67060 -64.61462 308.88789 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.54074 0.04267 -1.61004 force_rgl> df(natom) 0.00000 0.00000 0.00000 3505.0000 28 0 -64.89622 1.92706 1.95006 -64.61873 306.89748 3510.0000 28 0 -65.97117 1.71103 1.88643 -65.20549 534.91817 3515.0000 28 0 -67.16703 1.11026 1.72940 -66.65340 378.52456 3520.0000 28 0 -67.11965 1.09553 1.67080 -67.19373 303.71688 3525.0000 28 0 -67.42315 0.94135 1.66826 -67.21716 305.72754 3530.0000 28 0 -67.30269 1.09178 1.67155 -67.18686 323.43208 3535.0000 28 0 -67.27572 1.11300 1.66301 -67.26562 299.58166 3540.0000 28 0 -67.24413 0.85449 1.66672 -67.23136 306.87780 3545.0000 28 0 -67.06385 1.08876 1.68451 -67.06733 325.43319 3550.0000 28 0 -66.98558 1.10920 1.69869 -66.93662 342.50537 3555.0000 28 0 -66.87291 1.26096 1.69746 -66.94792 332.97153 3560.0000 28 0 -66.88478 1.17491 1.69451 -66.97510 319.09342 3565.0000 28 0 -66.69483 1.15435 1.70722 -66.85791 334.81771 3570.0000 28 0 -66.64204 1.33657 1.72760 -66.67001 364.12382 3575.0000 28 0 -66.81765 1.13847 1.70813 -66.84958 332.02046 3580.0000 28 0 -66.62497 1.21696 1.70803 -66.85049 328.26380 3585.0000 28 0 -66.60115 1.25936 1.72662 -66.67910 350.86940 3590.0000 28 0 -66.99243 1.19035 1.71592 -66.77771 336.76656 3595.0000 28 0 -67.05767 1.06607 1.67809 -67.12657 291.69044 3600.0000 28 0 -66.86597 1.00028 1.69550 -66.96601 311.90119 3605.0000 28 0 -67.07489 0.82571 1.67789 -67.12838 306.94359 3610.0000 28 0 -66.65138 1.26861 1.69250 -66.99364 346.22451 3615.0000 28 0 -67.24072 1.07505 1.67888 -67.11927 314.62504 3620.0000 28 0 -67.32343 0.94921 1.65392 -67.34940 264.30269 3625.0000 28 0 -66.63280 1.14777 1.70184 -66.90759 329.19965 3630.0000 28 0 -66.69718 1.22270 1.72991 -66.64876 361.89385 3635.0000 28 0 -66.60688 1.19789 1.72235 -66.71847 359.88933 3640.0000 28 0 -66.65719 1.24359 1.71774 -66.76098 360.66147 3645.0000 28 0 -66.87671 1.26118 1.72615 -66.68339 352.37998 3650.0000 28 0 -67.34539 1.10168 1.68360 -67.07569 311.98701 3655.0000 28 0 -67.01692 1.17145 1.67964 -67.11228 301.23550 3660.0000 28 0 -67.01596 1.20370 1.68882 -67.02756 313.56166 3665.0000 28 0 -66.99755 1.04768 1.69305 -66.98859 319.17215 3670.0000 28 0 -67.03099 1.06886 1.69503 -66.97033 314.25439 3675.0000 28 0 -66.99955 1.13030 1.70456 -66.88246 335.31214 3680.0000 28 0 -67.06039 1.21388 1.69791 -66.94382 318.38259 3685.0000 28 0 -67.00048 1.20564 1.69665 -66.95536 321.85472 3690.0000 28 0 -67.19036 0.86081 1.67841 -67.12363 300.42769 3695.0000 28 0 -66.64562 1.25479 1.70646 -66.86494 338.56732 3700.0000 28 0 -66.76926 1.25965 1.72785 -66.66773 356.61920 3705.0000 28 0 -67.19818 1.05229 1.68278 -67.08327 316.82046 3710.0000 28 0 -67.45060 0.87224 1.66009 -67.29257 289.13322 3715.0000 28 0 -67.06185 1.03984 1.66161 -67.27847 279.17988 3720.0000 28 0 -67.38293 0.88084 1.66121 -67.28216 292.64967 3725.0000 28 0 -67.69360 0.81106 1.63755 -67.50035 256.90351 3730.0000 28 0 -67.37466 0.97726 1.63726 -67.50308 246.83437 3735.0000 28 0 -67.20006 1.05193 1.66761 -67.22322 292.89339 3740.0000 28 0 -66.99081 1.14361 1.67218 -67.18108 298.74254 3745.0000 28 0 -67.09341 0.90445 1.68493 -67.06349 306.14392 3750.0000 28 0 -67.02507 1.17588 1.69627 -66.95893 329.09409 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.03083 -1.03273 -2.46898 force_rgl> df(natom) 0.00000 0.00000 0.00000 3755.0000 29 0 -66.58166 2.81608 1.98533 -66.81024 368.27001 3760.0000 29 0 -68.16857 1.70925 1.90558 -67.56296 506.95746 3765.0000 29 0 -68.97313 1.35165 1.77651 -68.78129 373.18900 3770.0000 29 0 -69.23999 1.30233 1.74046 -69.12154 352.28040 3775.0000 29 0 -70.05083 0.87471 1.69840 -69.51858 318.08785 3780.0000 29 0 -69.72430 0.97262 1.67814 -69.70982 287.30034 3785.0000 29 0 -69.54016 1.24039 1.70038 -69.49992 314.86283 3790.0000 29 0 -69.28395 0.97487 1.71985 -69.31608 341.59395 3795.0000 29 0 -69.36431 1.35818 1.70381 -69.46751 326.44348 3800.0000 29 0 -69.82571 1.08364 1.68373 -69.65705 296.14111 3805.0000 29 0 -69.72557 1.11522 1.68013 -69.69104 289.70351 3810.0000 29 0 -69.69527 1.05445 1.68048 -69.68769 292.76805 3815.0000 29 0 -69.50430 1.21826 1.70783 -69.42958 331.76054 3820.0000 29 0 -69.60152 1.04779 1.68658 -69.63018 306.05923 3825.0000 29 0 -69.71828 1.13144 1.67781 -69.71296 301.44258 3830.0000 29 0 -69.86202 0.77618 1.67558 -69.73394 295.87885 3835.0000 29 0 -69.66560 1.01455 1.67498 -69.73962 294.80310 3840.0000 29 0 -69.64323 1.16774 1.66857 -69.80014 286.67569 3845.0000 29 0 -70.06730 0.84680 1.66115 -69.87018 277.49030 3850.0000 29 0 -69.68372 1.18000 1.66533 -69.83072 286.91111 3855.0000 29 0 -69.43679 1.18305 1.67757 -69.71520 292.67090 3860.0000 29 0 -69.83962 0.95758 1.66359 -69.84714 280.71062 3865.0000 29 0 -69.85977 0.98056 1.66738 -69.81137 283.32653 3870.0000 29 0 -69.77369 1.17234 1.65419 -69.93588 271.66795 3875.0000 29 0 -69.48809 1.07997 1.68679 -69.62816 306.76386 3880.0000 29 0 -69.49995 1.29476 1.68789 -69.61778 298.37180 3885.0000 29 0 -70.19046 0.87977 1.65620 -69.91687 252.68841 3890.0000 29 0 -69.77574 0.85022 1.65965 -69.88438 250.36103 3895.0000 29 0 -69.51106 1.37021 1.69192 -69.57978 297.23457 3900.0000 29 0 -69.79676 0.88687 1.67750 -69.71582 293.35851 3905.0000 29 0 -69.66433 1.20482 1.67467 -69.74254 289.75048 3910.0000 29 0 -70.09659 0.63646 1.67996 -69.69264 291.28063 3915.0000 29 0 -69.76679 0.91497 1.64503 -70.02238 242.91951 3920.0000 29 0 -69.65703 0.97027 1.69384 -69.56159 322.34089 3925.0000 29 0 -69.91572 0.93213 1.68058 -69.68682 304.18344 3930.0000 29 0 -69.89333 1.01193 1.66549 -69.82919 288.16904 3935.0000 29 0 -69.92987 0.83653 1.65896 -69.89089 272.02216 3940.0000 29 0 -69.89993 0.98432 1.66165 -69.86548 278.22129 3945.0000 29 0 -69.73068 1.14860 1.68070 -69.68564 300.70044 3950.0000 29 0 -69.69288 1.14192 1.67115 -69.77581 295.90998 3955.0000 29 0 -69.74232 1.02326 1.67732 -69.71756 303.77743 3960.0000 29 0 -70.08974 0.90633 1.66680 -69.81682 281.20878 3965.0000 29 0 -70.01883 1.13080 1.65258 -69.95111 264.11272 3970.0000 29 0 -69.51916 1.10121 1.64107 -70.05975 252.70444 3975.0000 29 0 -69.52286 1.23110 1.68598 -69.63577 322.82322 3980.0000 29 0 -69.45647 1.11352 1.68043 -69.68823 307.33563 3985.0000 29 0 -69.68599 0.98262 1.68443 -69.65048 304.96444 3990.0000 29 0 -69.75133 1.11601 1.66939 -69.79241 293.94832 3995.0000 29 0 -69.87943 0.90782 1.68720 -69.62432 312.82817 4000.0000 29 0 -69.72571 1.11772 1.67609 -69.72917 299.80980 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.82801 -4.29388 -0.80933 force_rgl> df(natom) 0.00000 0.00000 0.00000 4005.0000 30 0 -69.46411 2.50084 1.95268 -69.64708 326.08682 4010.0000 30 0 -71.42396 1.55876 1.85063 -70.63241 488.59940 4015.0000 30 0 -70.92649 1.78106 1.78385 -71.27711 425.83592 4020.0000 30 0 -71.73589 1.37609 1.78217 -71.29332 419.54206 4025.0000 30 0 -71.81893 1.24957 1.73163 -71.78133 360.67990 4030.0000 30 0 -72.29869 1.33907 1.70593 -72.02938 338.91045 4035.0000 30 0 -71.91729 1.42309 1.71179 -71.97290 337.93815 4040.0000 30 0 -71.60076 1.30803 1.74019 -71.69863 368.50265 4045.0000 30 0 -71.95548 1.38482 1.72460 -71.84921 349.43843 4050.0000 30 0 -72.02416 1.24503 1.74240 -71.67735 361.98153 4055.0000 30 0 -71.92714 1.30127 1.71069 -71.98343 331.48059 4060.0000 30 0 -72.10248 1.30139 1.72690 -71.82696 359.34225 4065.0000 30 0 -72.39489 1.23252 1.69122 -72.17144 312.67206 4070.0000 30 0 -72.10276 1.18440 1.68627 -72.21928 308.57484 4075.0000 30 0 -71.99777 1.02144 1.69693 -72.11635 312.00048 4080.0000 30 0 -72.14184 1.26788 1.67889 -72.29052 303.76316 4085.0000 30 0 -72.16600 1.44917 1.69654 -72.12012 321.79506 4090.0000 30 0 -72.11450 1.23438 1.67305 -72.34688 299.12995 4095.0000 30 0 -72.14762 1.14396 1.67779 -72.30108 302.17934 4100.0000 30 0 -72.06138 1.11152 1.71135 -71.97711 341.65124 4105.0000 30 0 -71.97609 1.42847 1.70617 -72.02714 338.77156 4110.0000 30 0 -72.79560 1.03515 1.65491 -72.52201 280.53463 4115.0000 30 0 -72.31518 0.98883 1.66156 -72.45780 288.55382 4120.0000 30 0 -72.24770 1.23192 1.68928 -72.19020 318.06694 4125.0000 30 0 -72.58240 1.10160 1.68251 -72.25556 310.67360 4130.0000 30 0 -72.50574 1.07392 1.64876 -72.58136 264.61607 4135.0000 30 0 -71.90609 1.22544 1.68368 -72.24424 310.21380 4140.0000 30 0 -71.88469 1.28724 1.72401 -71.85486 340.52477 4145.0000 30 0 -72.10693 1.05584 1.69840 -72.10217 315.62348 4150.0000 30 0 -71.90475 1.37432 1.71483 -71.94350 338.31989 4155.0000 30 0 -71.87603 1.32417 1.71383 -71.95318 346.66542 4160.0000 30 0 -72.14056 1.30813 1.69266 -72.15759 313.15739 4165.0000 30 0 -72.28044 1.14418 1.66303 -72.44363 280.91341 4170.0000 30 0 -72.45605 1.04885 1.67418 -72.33598 303.19385 4175.0000 30 0 -72.38713 1.20636 1.65390 -72.53177 268.79119 4180.0000 30 0 -72.42127 0.77959 1.67270 -72.35026 294.60574 4185.0000 30 0 -71.96388 1.48345 1.67411 -72.33662 296.57533 4190.0000 30 0 -71.48453 1.42662 1.72600 -71.83565 366.02803 4195.0000 30 0 -71.29661 1.59904 1.76530 -71.45622 411.50821 4200.0000 30 0 -72.24485 1.19642 1.73997 -71.70076 382.59983 4205.0000 30 0 -72.23508 1.26754 1.69404 -72.14425 321.37986 4210.0000 30 0 -72.69531 1.01872 1.65955 -72.47719 280.26418 4215.0000 30 0 -72.42468 1.03647 1.63750 -72.69008 252.27796 4220.0000 30 0 -72.21008 1.36421 1.68400 -72.24112 319.60425 4225.0000 30 0 -72.32559 1.15335 1.66828 -72.39290 299.16195 4230.0000 30 0 -72.37074 1.21291 1.68435 -72.23775 303.75203 4235.0000 30 0 -72.11050 1.10674 1.68336 -72.24732 305.95442 4240.0000 30 0 -72.45661 1.04876 1.68670 -72.21510 312.25828 4245.0000 30 0 -71.86545 1.14854 1.67420 -72.33574 297.12210 4250.0000 30 0 -71.62268 1.52902 1.73937 -71.70655 375.42163 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.47275 -0.37583 2.94437 force_rgl> df(natom) 0.00000 0.00000 0.00000 4255.0000 31 0 -72.16292 1.39743 1.98772 -71.83466 351.13094 4260.0000 31 0 -73.42390 1.29775 1.90649 -72.63625 496.77050 4265.0000 31 0 -74.66478 1.41088 1.75117 -74.16899 380.44494 4270.0000 31 0 -75.01337 0.93126 1.70228 -74.65142 325.09320 4275.0000 31 0 -75.11784 1.05856 1.65887 -75.07978 276.53985 4280.0000 31 0 -75.15911 1.04929 1.66061 -75.06265 284.66649 4285.0000 31 0 -74.77891 1.29554 1.67825 -74.88860 298.42978 4290.0000 31 0 -74.80186 1.13466 1.69287 -74.74431 317.70835 4295.0000 31 0 -75.11490 0.81989 1.68911 -74.78138 314.20433 4300.0000 31 0 -74.78902 1.43901 1.67659 -74.90497 294.50542 4305.0000 31 0 -75.15001 0.98522 1.67515 -74.91914 296.31200 4310.0000 31 0 -74.82307 1.24126 1.68739 -74.79833 309.90485 4315.0000 31 0 -75.15557 0.99425 1.66837 -74.98606 285.79817 4320.0000 31 0 -75.22862 0.98612 1.65555 -75.11262 272.38725 4325.0000 31 0 -75.09605 1.15868 1.63344 -75.33080 242.72505 4330.0000 31 0 -75.15431 0.88803 1.66666 -75.00297 283.23862 4335.0000 31 0 -74.74133 1.12904 1.67028 -74.96723 292.18657 4340.0000 31 0 -74.77219 1.25407 1.68947 -74.77784 319.63952 4345.0000 31 0 -75.05351 1.09750 1.67922 -74.87899 298.97584 4350.0000 31 0 -74.95582 1.22468 1.66842 -74.98562 286.80198 4355.0000 31 0 -74.61938 1.45420 1.68685 -74.80370 314.75177 4360.0000 31 0 -75.08163 1.04832 1.68282 -74.84349 311.33713 4365.0000 31 0 -75.33591 0.94530 1.64837 -75.18344 271.20478 4370.0000 31 0 -75.29133 0.99791 1.65141 -75.15341 271.13345 4375.0000 31 0 -74.70077 1.30383 1.67397 -74.93080 297.77161 4380.0000 31 0 -74.93063 1.05640 1.69381 -74.73502 324.69301 4385.0000 31 0 -75.30297 0.90953 1.65209 -75.14677 268.23054 4390.0000 31 0 -74.53496 1.11932 1.67053 -74.96480 288.67648 4395.0000 31 0 -74.82567 1.38081 1.67993 -74.87201 297.55834 4400.0000 31 0 -74.88936 0.86972 1.67831 -74.88797 297.22246 4405.0000 31 0 -74.90006 1.40106 1.68350 -74.83672 300.85949 4410.0000 31 0 -74.71953 1.21555 1.69629 -74.71058 318.50878 4415.0000 31 0 -74.65819 1.11181 1.70055 -74.66847 328.24345 4420.0000 31 0 -74.34092 1.42699 1.71658 -74.51030 346.17173 4425.0000 31 0 -74.32204 1.28762 1.72776 -74.39997 360.08020 4430.0000 31 0 -74.69198 1.33882 1.71716 -74.50461 344.64710 4435.0000 31 0 -74.79102 1.32319 1.68544 -74.81762 293.45548 4440.0000 31 0 -74.64700 1.37906 1.68995 -74.77315 302.54215 4445.0000 31 0 -74.37844 1.28541 1.71870 -74.48943 327.30499 4450.0000 31 0 -74.67695 1.03655 1.71163 -74.55921 326.97792 4455.0000 31 0 -74.49904 1.42731 1.72091 -74.46762 332.32950 4460.0000 31 0 -74.30724 1.23405 1.71559 -74.52014 337.86282 4465.0000 31 0 -74.16484 1.22186 1.73625 -74.31619 341.69905 4470.0000 31 0 -74.22101 1.36469 1.75422 -74.13889 359.91262 4475.0000 31 0 -74.33153 1.40617 1.74591 -74.22088 371.15145 4480.0000 31 0 -74.79619 1.31534 1.71299 -74.54580 336.04339 4485.0000 31 0 -74.80510 1.15770 1.66301 -75.03892 281.22664 4490.0000 31 0 -74.88971 0.93157 1.67084 -74.96174 292.43329 4495.0000 31 0 -74.90330 1.03922 1.67227 -74.94758 294.65252 4500.0000 31 0 -74.90711 1.03232 1.67438 -74.92679 292.46055 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.15402 -1.56714 3.46878 force_rgl> df(natom) 0.00000 0.00000 0.00000 4505.0000 32 0 -75.18452 2.04284 1.96587 -74.58522 348.09115 4510.0000 32 0 -76.70407 1.53083 1.82963 -75.95852 444.63394 4515.0000 32 0 -77.41565 1.19991 1.73541 -76.90815 342.46730 4520.0000 32 0 -77.16815 1.26033 1.69635 -77.30183 311.92975 4525.0000 32 0 -77.43783 1.30673 1.69515 -77.31396 303.97662 4530.0000 32 0 -77.31936 1.48646 1.69218 -77.34388 295.95282 4535.0000 32 0 -77.19729 1.41133 1.70490 -77.21565 317.00216 4540.0000 32 0 -77.06547 1.47186 1.72220 -77.04128 348.39594 4545.0000 32 0 -77.33802 1.06383 1.71039 -77.16031 310.42174 4550.0000 32 0 -77.42674 1.09402 1.68742 -77.39182 292.11131 4555.0000 32 0 -77.48876 1.22213 1.68493 -77.41693 279.15971 4560.0000 32 0 -77.00414 1.37790 1.70065 -77.25851 303.76065 4565.0000 32 0 -77.26085 1.15896 1.70837 -77.18066 313.22274 4570.0000 32 0 -77.07062 1.15790 1.70773 -77.18712 311.30402 4575.0000 32 0 -77.53054 1.13065 1.70185 -77.24640 307.29425 4580.0000 32 0 -77.35328 1.17927 1.69093 -77.35645 286.99646 4585.0000 32 0 -77.08797 1.09402 1.69049 -77.36089 299.43750 4590.0000 32 0 -77.34222 1.21730 1.71678 -77.09599 319.86830 4595.0000 32 0 -77.26487 1.38870 1.69064 -77.35941 287.30561 4600.0000 32 0 -77.80710 1.05255 1.66047 -77.66356 271.73108 4605.0000 32 0 -77.66802 1.06574 1.65309 -77.73794 256.52053 4610.0000 32 0 -77.55387 0.82297 1.65905 -77.67778 256.72597 4615.0000 32 0 -77.38744 1.13186 1.68741 -77.39202 284.19577 4620.0000 32 0 -77.66556 1.04907 1.66988 -77.56871 267.53973 4625.0000 32 0 -77.72984 1.08118 1.64843 -77.78489 263.19955 4630.0000 32 0 -77.85985 0.93586 1.64594 -77.80993 251.41362 4635.0000 32 0 -77.57094 0.94218 1.66294 -77.63862 273.31721 4640.0000 32 0 -77.19595 1.38204 1.68709 -77.39521 311.19648 4645.0000 32 0 -77.14780 1.17106 1.73850 -76.87700 355.02417 4650.0000 32 0 -77.26895 1.27244 1.69524 -77.31304 298.29996 4655.0000 32 0 -77.29252 1.28819 1.68100 -77.45655 299.40384 4660.0000 32 0 -77.37606 1.21237 1.68341 -77.43227 295.16189 4665.0000 32 0 -77.61464 1.07562 1.66754 -77.59229 278.09934 4670.0000 32 0 -77.24740 1.34488 1.68896 -77.37638 300.01448 4675.0000 32 0 -77.24668 1.20357 1.68668 -77.39936 300.53877 4680.0000 32 0 -77.43476 1.14820 1.70843 -77.18007 326.12229 4685.0000 32 0 -77.03445 1.37145 1.71059 -77.15835 325.28900 4690.0000 32 0 -77.22021 1.28285 1.70942 -77.17014 332.38244 4695.0000 32 0 -77.70702 1.21530 1.67942 -77.47254 295.57513 4700.0000 32 0 -77.19014 1.12174 1.69229 -77.34276 309.89051 4705.0000 32 0 -77.45679 1.28831 1.69161 -77.34964 303.37893 4710.0000 32 0 -76.92949 1.43828 1.70334 -77.23138 328.14258 4715.0000 32 0 -76.81102 1.45630 1.74457 -76.81582 363.08989 4720.0000 32 0 -76.91699 1.53320 1.72534 -77.00968 331.18635 4725.0000 32 0 -77.03834 1.35362 1.72312 -77.03199 331.13841 4730.0000 32 0 -77.35780 1.05353 1.70317 -77.23309 317.28923 4735.0000 32 0 -76.91674 1.25796 1.71587 -77.10511 312.01187 4740.0000 32 0 -77.60168 1.05979 1.69075 -77.35829 285.33130 4745.0000 32 0 -77.31773 1.33572 1.65903 -77.67804 275.29527 4750.0000 32 0 -76.93677 1.38885 1.70102 -77.25484 314.94150 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 2.4893432 [s]. main_MD> Deallocating global variables