main_MD> Reading input file read_input> Process type: growth read_input> Input for metadynamics has been read read_input> Metadynamics has not been chosen. read_input> Reading initial positions from../seed.xyz read_input> Finish reading initial positions read_input> Validating positions read_input> Initializing random number generator read_input> Checking program read_rgl> START READING FILE ../pot.pot read_rgl>> END READING FILE ../pot.pot READ_RGL>> atomic speciesAgAg imet1 4 imet2 4 READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999 read_rgl> PARAMETERS SELECTION FOR IMET1 :: Ag 4 ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999 p :: 10.850000000000000 q :: 3.1800000000000002 ATOMIC RADIUS :: 1.4450000999999999 choice_pot> values: frac = 0.12062503764379931 arete = 4.0870774781009569 choice_pot> mass is== 108.00000000000000 for elem1= read_input> ntipo1 = 55 ntipo2 = 0 read_input> Finish reading input main_MD> Allocating global variables main_MD> Number of outputs that will be created: 350 main_MD> Size of nv and nvoiz: 62 6200 main_MD> Size of nv and nvoiz: 62 6200 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 = 62 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> 0.17360185607051037 7.6367816392796842E-002 -0.10302275578301499 initial drift of cluster / NP1 for coalescence init> 0.32436222945668236 0.32810190917016085 0.28141299377379403 scaling for velocity /for coalescence NP1 init.f90 > facguy = 1.8596158565290337E-003 preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084 preparo> END t=0 TIME STEP force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.00000 -0.00000 0.00000 force_rgl> df(natom) 0.00000 0.00000 2.88576 preparo> THERMALIZATION PROCESS AT 299.38168639311766 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -137.57732320016254 2.5632352971624148 -140.14055849732495 3.6564285253000721E-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) 1.18740 0.30435 0.66987 force_rgl> df(natom) 0.00000 0.00000 0.00000 5.0000 56 0 -137.80577 3.26362 1.85856 -137.99591 312.56267 10.0000 56 0 -139.87443 2.23350 1.80722 -138.74727 402.63599 15.0000 56 0 -140.19038 2.00192 1.72689 -139.92309 336.65621 20.0000 56 0 -139.83298 2.23923 1.72011 -140.02234 321.03142 25.0000 56 0 -140.49106 1.85929 1.69884 -140.33370 298.74733 30.0000 56 0 -139.88946 2.23597 1.70518 -140.24090 309.20481 35.0000 56 0 -139.71902 2.33893 1.73550 -139.79703 337.14759 40.0000 56 0 -140.21220 2.32082 1.73339 -139.82805 328.60301 45.0000 56 0 -140.27278 2.07695 1.68661 -140.51264 287.82385 50.0000 56 0 -140.01474 1.77818 1.70756 -140.20603 307.28256 55.0000 56 0 -140.32485 2.18477 1.70377 -140.26155 304.00254 60.0000 56 0 -139.87745 2.15202 1.70673 -140.21816 308.21876 65.0000 56 0 -140.10617 2.48531 1.72638 -139.93058 327.40971 70.0000 56 0 -140.13280 2.46977 1.70465 -140.24866 304.50452 75.0000 56 0 -140.48809 2.08610 1.71117 -140.15329 314.64077 80.0000 56 0 -139.78903 2.16550 1.71328 -140.12232 316.11480 85.0000 56 0 -140.57404 1.90417 1.71868 -140.04323 319.21860 90.0000 56 0 -140.62236 1.97931 1.67230 -140.72215 276.22128 95.0000 56 0 -140.58439 2.60661 1.69010 -140.46163 292.93443 100.0000 56 0 -140.60166 1.90935 1.67890 -140.62560 279.71089 105.0000 56 0 -140.44672 2.19800 1.67554 -140.67471 278.93081 110.0000 56 0 -140.42786 2.10082 1.68149 -140.58765 289.70163 115.0000 56 0 -140.49930 1.82150 1.70027 -140.31278 304.87165 120.0000 56 0 -139.35525 2.59373 1.72814 -139.90487 326.73212 125.0000 56 0 -140.56511 2.09752 1.71451 -140.10427 315.18159 130.0000 56 0 -139.85450 2.28991 1.70428 -140.25413 305.49361 135.0000 56 0 -139.88444 2.48332 1.73753 -139.76746 338.12921 140.0000 56 0 -139.63085 2.54385 1.72600 -139.93615 326.68141 145.0000 56 0 -140.02023 2.19072 1.73662 -139.78077 330.33691 150.0000 56 0 -140.13472 2.08978 1.73134 -139.85795 333.36985 155.0000 56 0 -139.80853 2.44969 1.71342 -140.12035 314.14444 160.0000 56 0 -139.82217 2.13248 1.70727 -140.21028 309.19681 165.0000 56 0 -140.37968 2.51674 1.71056 -140.16211 314.57131 170.0000 56 0 -140.49323 2.06651 1.69382 -140.40713 295.16981 175.0000 56 0 -140.34167 2.42729 1.70224 -140.28395 303.52732 180.0000 56 0 -140.57223 2.01362 1.69152 -140.44079 292.03579 185.0000 56 0 -140.34245 2.43192 1.68285 -140.56777 285.79494 190.0000 56 0 -140.31841 2.45764 1.71242 -140.13492 317.95893 195.0000 56 0 -140.36594 1.96525 1.70224 -140.28397 304.95775 200.0000 56 0 -140.19342 2.26299 1.70627 -140.22492 312.03443 205.0000 56 0 -140.23863 2.04982 1.71312 -140.12472 318.24346 210.0000 56 0 -140.37413 2.25700 1.69547 -140.38300 298.96279 215.0000 56 0 -140.02889 2.36573 1.70016 -140.31432 300.50088 220.0000 56 0 -139.84562 2.50471 1.72862 -139.89775 330.22339 225.0000 56 0 -140.17659 2.26837 1.72114 -140.00734 322.68277 230.0000 56 0 -140.13120 2.37416 1.71273 -140.13046 314.33357 235.0000 56 0 -139.66852 2.54735 1.72790 -139.90834 327.01305 240.0000 56 0 -140.19304 2.35475 1.72500 -139.95073 319.51270 245.0000 56 0 -140.71687 1.95098 1.69226 -140.42994 293.22004 250.0000 56 0 -140.60266 1.81847 1.69640 -140.36938 292.39182 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.28402 0.19591 -2.13798 force_rgl> df(natom) 0.00000 0.00000 0.00000 255.0000 57 0 -140.23752 2.48616 1.88936 -140.16673 309.82598 260.0000 57 0 -141.85914 2.66530 1.84698 -140.79442 413.38344 265.0000 57 0 -142.10688 2.62331 1.76448 -142.01636 340.22852 270.0000 57 0 -142.04957 2.63192 1.74595 -142.29081 320.05370 275.0000 57 0 -142.32784 1.93757 1.74752 -142.26757 317.45741 280.0000 57 0 -142.24337 2.27656 1.74760 -142.26630 318.33278 285.0000 57 0 -142.56706 2.15443 1.74899 -142.24576 317.13066 290.0000 57 0 -142.41357 2.23376 1.73055 -142.51886 306.01422 295.0000 57 0 -142.15153 2.60540 1.73567 -142.44310 313.58244 300.0000 57 0 -142.48803 2.24184 1.74480 -142.30791 321.80167 305.0000 57 0 -143.04261 1.84457 1.70526 -142.89347 285.54301 310.0000 57 0 -142.78173 1.78547 1.69963 -142.97686 283.84187 315.0000 57 0 -142.39032 1.98531 1.70998 -142.82358 299.16162 320.0000 57 0 -142.68607 2.27955 1.72584 -142.58868 312.82917 325.0000 57 0 -142.34498 2.17701 1.73391 -142.46911 321.95570 330.0000 57 0 -142.14904 2.76014 1.75331 -142.18185 326.34712 335.0000 57 0 -142.99084 2.07484 1.73150 -142.50485 312.30923 340.0000 57 0 -142.58333 2.43610 1.71653 -142.72658 295.45041 345.0000 57 0 -142.95104 2.31902 1.71291 -142.78014 286.73250 350.0000 57 0 -142.66777 2.14571 1.72383 -142.61838 304.39016 355.0000 57 0 -142.48880 2.05348 1.72501 -142.60098 301.12712 360.0000 57 0 -143.00394 2.18514 1.72329 -142.62648 300.88615 365.0000 57 0 -142.30361 2.35659 1.71724 -142.71599 294.94586 370.0000 57 0 -142.28070 2.53491 1.75021 -142.22765 323.89671 375.0000 57 0 -142.75778 2.09241 1.72369 -142.62042 300.59332 380.0000 57 0 -142.75481 2.33898 1.71122 -142.80524 298.13360 385.0000 57 0 -142.57656 2.30039 1.71754 -142.71165 312.62728 390.0000 57 0 -142.98086 2.04188 1.72345 -142.62403 310.34651 395.0000 57 0 -143.10557 2.24860 1.70135 -142.95131 290.23940 400.0000 57 0 -142.87072 2.31859 1.69969 -142.97595 294.30377 405.0000 57 0 -142.93740 1.99996 1.69731 -143.01121 286.96288 410.0000 57 0 -142.88658 2.13393 1.71233 -142.78877 308.04496 415.0000 57 0 -142.58654 1.91726 1.71513 -142.74735 305.83015 420.0000 57 0 -143.41364 1.75127 1.68202 -143.23772 274.94116 425.0000 57 0 -143.08719 1.88699 1.68971 -143.12382 284.12711 430.0000 57 0 -143.33113 2.16994 1.67403 -143.35601 262.32336 435.0000 57 0 -142.46658 2.33617 1.70905 -142.83732 296.12712 440.0000 57 0 -142.44611 2.70076 1.73281 -142.48539 319.74813 445.0000 57 0 -142.37309 2.42774 1.71823 -142.70139 309.42527 450.0000 57 0 -142.30725 2.22402 1.73976 -142.38253 327.86134 455.0000 57 0 -142.46947 2.06885 1.72384 -142.61832 311.47296 460.0000 57 0 -142.59994 2.76227 1.71798 -142.70504 305.61516 465.0000 57 0 -142.53611 2.69345 1.74501 -142.30468 334.99114 470.0000 57 0 -142.90565 2.09821 1.71048 -142.81617 299.03609 475.0000 57 0 -143.05475 1.97079 1.70612 -142.88069 294.69222 480.0000 57 0 -143.20355 2.05989 1.70168 -142.94655 293.53228 485.0000 57 0 -143.09249 1.90978 1.71199 -142.79383 298.48944 490.0000 57 0 -142.37765 2.13452 1.70534 -142.89235 293.35902 495.0000 57 0 -142.34781 2.50815 1.73876 -142.39723 325.99978 500.0000 57 0 -142.02953 2.90610 1.75030 -142.22634 335.87322 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.83806 0.72996 0.72829 force_rgl> df(natom) 0.00000 0.00000 0.00000 505.0000 58 0 -142.58442 3.52740 1.94873 -141.90091 374.84875 510.0000 58 0 -144.60724 2.54448 1.82168 -143.80457 382.95387 515.0000 58 0 -145.47925 2.34320 1.73634 -145.08326 314.91168 520.0000 58 0 -145.47746 1.98726 1.70058 -145.61901 285.39486 525.0000 58 0 -145.37999 1.91453 1.70766 -145.51298 288.59626 530.0000 58 0 -145.71864 1.85175 1.70951 -145.48528 277.90714 535.0000 58 0 -145.52589 1.82769 1.69986 -145.62979 266.44530 540.0000 58 0 -144.61711 2.38837 1.73922 -145.04009 304.16452 545.0000 58 0 -144.95557 2.38379 1.76893 -144.59486 334.63680 550.0000 58 0 -144.69383 2.47204 1.75669 -144.77834 322.61572 555.0000 58 0 -144.48128 2.47710 1.76717 -144.62126 331.85476 560.0000 58 0 -145.13222 2.17028 1.75358 -144.82490 317.85609 565.0000 58 0 -145.36803 2.04023 1.71603 -145.38761 278.81927 570.0000 58 0 -145.09780 2.14829 1.70352 -145.57498 271.96808 575.0000 58 0 -144.80721 2.30994 1.75841 -144.75258 316.28063 580.0000 58 0 -145.86481 1.74217 1.72372 -145.27231 289.28925 585.0000 58 0 -144.70489 2.51933 1.71833 -145.35315 281.72390 590.0000 58 0 -144.69842 2.16207 1.76630 -144.63431 321.77854 595.0000 58 0 -145.12832 2.23535 1.76426 -144.66496 324.10889 600.0000 58 0 -145.72152 1.98713 1.71625 -145.38425 283.59450 605.0000 58 0 -145.40637 2.58137 1.70336 -145.57736 296.38275 610.0000 58 0 -145.83772 1.67948 1.71724 -145.36934 311.14693 615.0000 58 0 -145.66007 2.11407 1.70087 -145.61472 294.62544 620.0000 58 0 -145.03612 2.14643 1.71639 -145.38221 308.39899 625.0000 58 0 -145.69307 2.04631 1.71616 -145.38558 312.95281 630.0000 58 0 -145.62089 2.10917 1.70071 -145.61715 295.33640 635.0000 58 0 -145.43500 2.29104 1.70762 -145.51359 304.84754 640.0000 58 0 -146.07321 1.98267 1.69721 -145.66960 302.87516 645.0000 58 0 -145.57221 2.17120 1.70755 -145.51457 302.90086 650.0000 58 0 -145.53062 2.12945 1.70575 -145.54164 306.01196 655.0000 58 0 -145.74984 2.13757 1.68934 -145.78750 286.03962 660.0000 58 0 -145.52763 2.17895 1.69450 -145.71020 289.28904 665.0000 58 0 -145.98295 1.77035 1.69769 -145.66231 294.00867 670.0000 58 0 -145.48842 2.39298 1.68969 -145.78217 290.27795 675.0000 58 0 -145.31449 2.54268 1.72580 -145.24122 321.54493 680.0000 58 0 -145.13131 2.23894 1.73371 -145.12264 327.43734 685.0000 58 0 -144.74880 2.41665 1.76188 -144.70049 356.15621 690.0000 58 0 -144.26154 3.12457 1.76827 -144.60473 359.56752 695.0000 58 0 -145.22377 2.45368 1.74947 -144.88657 343.19364 700.0000 58 0 -145.27979 2.59061 1.73734 -145.06817 334.45992 705.0000 58 0 -145.24745 2.40097 1.72611 -145.23646 320.80697 710.0000 58 0 -145.89210 2.12193 1.70133 -145.60787 298.76314 715.0000 58 0 -145.58211 2.25246 1.70284 -145.58512 299.96539 720.0000 58 0 -145.76818 2.35233 1.70778 -145.51110 303.43855 725.0000 58 0 -145.61806 2.40859 1.69881 -145.64560 295.20831 730.0000 58 0 -145.09154 2.22094 1.71841 -145.35182 316.04631 735.0000 58 0 -145.57020 2.26954 1.71898 -145.34339 316.79744 740.0000 58 0 -145.64705 1.78426 1.70493 -145.55392 300.67933 745.0000 58 0 -145.39160 2.32766 1.70223 -145.59426 298.56815 750.0000 58 0 -145.26753 2.56714 1.71983 -145.33065 314.02283 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.59982 1.66594 0.28806 force_rgl> df(natom) 0.00000 0.00000 0.00000 755.0000 59 0 -145.49033 3.13964 1.88279 -145.51552 325.75296 760.0000 59 0 -147.24685 2.68380 1.81642 -146.52134 378.21980 765.0000 59 0 -147.61538 2.24540 1.73667 -147.73000 302.95880 770.0000 59 0 -147.76180 1.90256 1.75096 -147.51342 315.86239 775.0000 59 0 -147.64821 2.30977 1.75063 -147.51847 309.73993 780.0000 59 0 -147.08104 2.26377 1.74688 -147.57524 305.10357 785.0000 59 0 -147.27874 2.83556 1.76707 -147.26925 326.19031 790.0000 59 0 -148.16617 2.31564 1.73684 -147.72742 307.06644 795.0000 59 0 -148.30468 1.99132 1.70722 -148.17643 277.15689 800.0000 59 0 -147.51851 2.44825 1.73607 -147.73918 301.79032 805.0000 59 0 -147.27005 2.32909 1.74290 -147.63556 309.18323 810.0000 59 0 -147.56194 2.15149 1.73683 -147.72761 299.82691 815.0000 59 0 -147.48207 2.50901 1.75091 -147.51423 312.84683 820.0000 59 0 -147.22765 2.16000 1.75388 -147.46917 320.18969 825.0000 59 0 -147.99259 2.30285 1.73625 -147.73641 304.77971 830.0000 59 0 -147.73698 2.21333 1.73909 -147.69332 310.04840 835.0000 59 0 -148.11630 2.16517 1.73053 -147.82312 298.56594 840.0000 59 0 -147.70986 2.51021 1.72598 -147.89197 290.77261 845.0000 59 0 -147.01406 2.20237 1.77878 -147.09184 345.15841 850.0000 59 0 -147.56235 2.26528 1.75286 -147.48466 314.89606 855.0000 59 0 -147.41838 2.32992 1.75010 -147.52646 318.03050 860.0000 59 0 -147.53164 2.25682 1.76479 -147.30390 319.71403 865.0000 59 0 -147.24858 2.35793 1.76471 -147.30501 321.34113 870.0000 59 0 -147.14597 2.36966 1.75960 -147.38251 317.72586 875.0000 59 0 -147.53386 2.25687 1.76234 -147.34093 320.53340 880.0000 59 0 -147.37288 2.47947 1.75084 -147.51523 309.90191 885.0000 59 0 -147.66626 2.08617 1.75065 -147.51815 324.47965 890.0000 59 0 -147.62974 2.58027 1.74565 -147.59399 310.92511 895.0000 59 0 -147.76729 2.07649 1.74160 -147.65524 303.16319 900.0000 59 0 -147.82328 2.42331 1.75399 -147.46756 320.77417 905.0000 59 0 -147.46224 2.43480 1.73340 -147.77966 314.30851 910.0000 59 0 -147.99411 2.57098 1.72865 -147.85158 310.58594 915.0000 59 0 -147.74661 2.80867 1.72066 -147.97272 302.47266 920.0000 59 0 -147.17929 2.80914 1.75265 -147.48786 335.13546 925.0000 59 0 -147.63253 2.23597 1.75655 -147.42872 330.79598 930.0000 59 0 -148.17614 2.17663 1.72077 -147.97106 303.03356 935.0000 59 0 -147.64180 2.54067 1.73056 -147.82268 311.31624 940.0000 59 0 -147.64950 2.26460 1.74324 -147.63040 325.60894 945.0000 59 0 -147.34384 2.36763 1.74276 -147.63770 324.06964 950.0000 59 0 -148.49076 2.03174 1.71899 -147.99794 300.27914 955.0000 59 0 -148.61113 1.78417 1.67725 -148.63058 261.54469 960.0000 59 0 -147.92217 2.26994 1.70932 -148.14448 287.92617 965.0000 59 0 -147.70514 2.51141 1.72583 -147.89431 305.54871 970.0000 59 0 -148.02682 2.09262 1.74063 -147.66997 320.46713 975.0000 59 0 -147.73106 2.19148 1.71481 -148.06129 295.39183 980.0000 59 0 -147.73714 2.40510 1.74432 -147.61415 325.07624 985.0000 59 0 -148.55626 2.13445 1.71180 -148.10698 292.66212 990.0000 59 0 -148.03178 2.24438 1.69841 -148.30996 279.82706 995.0000 59 0 -147.91352 2.06472 1.73901 -147.69458 317.63215 1000.0000 59 0 -148.22445 2.25419 1.72960 -147.83711 307.53151 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.24619 -1.37656 -3.31143 force_rgl> df(natom) 0.00000 0.00000 0.00000 1005.0000 60 0 -147.97374 3.20041 1.88243 -148.14946 298.96673 1010.0000 60 0 -149.98832 2.70865 1.83657 -148.85240 390.35963 1015.0000 60 0 -150.17069 2.65960 1.76346 -149.97284 346.54313 1020.0000 60 0 -150.38403 2.24674 1.74909 -150.19316 330.81910 1025.0000 60 0 -150.27896 2.61767 1.73718 -150.37569 320.18132 1030.0000 60 0 -150.81776 2.40271 1.73817 -150.36042 320.62382 1035.0000 60 0 -150.44650 2.78272 1.72353 -150.58484 304.09066 1040.0000 60 0 -150.78135 2.06190 1.70960 -150.79830 297.89996 1045.0000 60 0 -150.53715 2.61187 1.70708 -150.83698 292.73459 1050.0000 60 0 -150.39809 2.44862 1.75793 -150.05764 339.51413 1055.0000 60 0 -150.56103 2.34968 1.73185 -150.45740 316.43686 1060.0000 60 0 -150.62816 2.27901 1.70550 -150.86125 291.06507 1065.0000 60 0 -150.40562 2.70702 1.73448 -150.41706 314.33419 1070.0000 60 0 -151.05014 2.08224 1.71634 -150.69499 297.73616 1075.0000 60 0 -150.62576 2.29345 1.71579 -150.70347 303.26053 1080.0000 60 0 -151.09291 2.16983 1.71582 -150.70303 303.77058 1085.0000 60 0 -150.63735 2.65720 1.70677 -150.84167 291.58607 1090.0000 60 0 -151.08329 2.28028 1.71941 -150.64806 299.12198 1095.0000 60 0 -150.75123 2.66704 1.68618 -151.15736 271.51088 1100.0000 60 0 -151.12688 2.42095 1.70371 -150.88857 291.31264 1105.0000 60 0 -150.66061 2.20994 1.70133 -150.92513 286.59655 1110.0000 60 0 -149.75804 2.61874 1.75423 -150.11432 333.31571 1115.0000 60 0 -150.21875 2.48771 1.74422 -150.26775 327.03639 1120.0000 60 0 -150.07962 2.80992 1.74217 -150.29920 326.66625 1125.0000 60 0 -151.10452 2.30530 1.70338 -150.89373 289.63755 1130.0000 60 0 -151.06499 2.06068 1.69089 -151.08517 277.87627 1135.0000 60 0 -151.31779 1.71038 1.68555 -151.16699 272.79447 1140.0000 60 0 -151.44324 2.05035 1.66232 -151.52293 249.54018 1145.0000 60 0 -150.30586 2.64605 1.69334 -151.04759 276.27334 1150.0000 60 0 -149.54710 2.58544 1.76934 -149.88270 353.23472 1155.0000 60 0 -150.12786 2.34571 1.76206 -149.99428 343.29793 1160.0000 60 0 -149.89906 2.90654 1.76327 -149.97577 344.48476 1165.0000 60 0 -150.51975 2.55960 1.75249 -150.14095 332.32417 1170.0000 60 0 -150.54848 2.61105 1.73241 -150.44875 317.39944 1175.0000 60 0 -150.60258 2.47144 1.71867 -150.65936 303.44133 1180.0000 60 0 -150.09754 2.50916 1.73474 -150.41309 319.98536 1185.0000 60 0 -150.40842 2.51999 1.74842 -150.20338 333.33365 1190.0000 60 0 -150.58279 2.25957 1.70448 -150.87681 285.90065 1195.0000 60 0 -150.47505 2.51073 1.71049 -150.78475 296.30389 1200.0000 60 0 -150.91613 2.31039 1.73400 -150.42441 322.53708 1205.0000 60 0 -150.59016 2.35153 1.70010 -150.94390 284.06117 1210.0000 60 0 -150.71893 2.44765 1.72269 -150.59773 307.48385 1215.0000 60 0 -150.61769 2.22651 1.72922 -150.49772 309.42302 1220.0000 60 0 -150.29615 2.51172 1.73105 -150.46963 313.92864 1225.0000 60 0 -150.97756 2.02071 1.71936 -150.64871 299.40304 1230.0000 60 0 -150.60306 2.08408 1.71213 -150.75961 296.56941 1235.0000 60 0 -150.62892 2.19664 1.72766 -150.52163 310.94860 1240.0000 60 0 -150.43278 2.52075 1.70809 -150.82149 296.05333 1245.0000 60 0 -150.29041 2.40828 1.74683 -150.22770 334.13134 1250.0000 60 0 -150.49001 2.39460 1.73183 -150.45761 318.54803 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.26987 -0.53833 2.95610 force_rgl> df(natom) 0.00000 0.00000 0.00000 1255.0000 61 0 -151.06742 2.92785 1.90483 -150.43271 337.56310 1260.0000 61 0 -153.00948 2.48989 1.79981 -152.06012 368.92856 1265.0000 61 0 -153.17858 2.47140 1.71289 -153.40707 295.16485 1270.0000 61 0 -153.68519 2.23975 1.70749 -153.49079 283.98399 1275.0000 61 0 -153.16237 2.43455 1.72884 -153.15984 305.48108 1280.0000 61 0 -152.88044 2.76536 1.75234 -152.79570 327.69317 1285.0000 61 0 -153.50226 2.19728 1.72382 -153.23764 300.50108 1290.0000 61 0 -153.78941 2.16571 1.70722 -153.49488 284.77980 1295.0000 61 0 -153.27606 2.30337 1.70296 -153.56090 279.23964 1300.0000 61 0 -153.57414 1.94785 1.73587 -153.05089 312.74983 1305.0000 61 0 -153.11043 2.19014 1.72223 -153.26235 303.50726 1310.0000 61 0 -152.88993 2.35106 1.72840 -153.16673 303.43787 1315.0000 61 0 -153.36502 2.22177 1.75524 -152.75073 328.09944 1320.0000 61 0 -152.88302 2.31813 1.72498 -153.21970 302.32202 1325.0000 61 0 -153.28955 2.28251 1.71962 -153.30271 292.82284 1330.0000 61 0 -153.03567 2.22650 1.72823 -153.16931 305.31517 1335.0000 61 0 -153.89650 1.97622 1.71568 -153.36385 288.14188 1340.0000 61 0 -153.22958 2.37352 1.70532 -153.52441 281.73079 1345.0000 61 0 -153.33576 2.29826 1.72739 -153.18237 303.09360 1350.0000 61 0 -153.27566 2.36121 1.71463 -153.38008 292.23458 1355.0000 61 0 -153.85248 2.24146 1.71319 -153.40242 293.25022 1360.0000 61 0 -153.16545 2.54459 1.70474 -153.53341 282.97545 1365.0000 61 0 -153.23196 2.51493 1.73287 -153.09750 301.74862 1370.0000 61 0 -153.24922 2.56372 1.72888 -153.15924 306.25040 1375.0000 61 0 -152.96585 2.49536 1.73994 -152.98781 316.02401 1380.0000 61 0 -153.10064 2.38900 1.72789 -153.17458 304.54183 1385.0000 61 0 -152.79101 2.61219 1.76156 -152.65283 340.06915 1390.0000 61 0 -153.43386 2.24540 1.75445 -152.76297 330.82074 1395.0000 61 0 -153.23864 2.38795 1.71701 -153.34312 294.79149 1400.0000 61 0 -153.89505 1.88198 1.70563 -153.51955 282.76760 1405.0000 61 0 -153.31521 2.40796 1.69110 -153.74467 270.35714 1410.0000 61 0 -153.41614 2.33047 1.73891 -153.00377 314.70487 1415.0000 61 0 -153.62984 2.23173 1.70510 -153.52775 282.26072 1420.0000 61 0 -153.98314 2.25276 1.67159 -154.04703 249.87934 1425.0000 61 0 -153.30258 2.26191 1.71345 -153.39842 292.84723 1430.0000 61 0 -153.52976 2.24872 1.71906 -153.31137 298.61002 1435.0000 61 0 -153.07666 2.46330 1.72351 -153.24242 301.01585 1440.0000 61 0 -153.63202 2.31675 1.72155 -153.27288 301.82244 1445.0000 61 0 -153.51440 2.03838 1.70415 -153.54247 281.05945 1450.0000 61 0 -152.97595 2.46138 1.72202 -153.26551 298.22838 1455.0000 61 0 -152.93945 2.38415 1.74346 -152.93327 321.98429 1460.0000 61 0 -153.23474 2.35603 1.71864 -153.31787 297.06004 1465.0000 61 0 -152.82085 2.70497 1.74311 -152.93871 316.17154 1470.0000 61 0 -152.47859 2.54434 1.75352 -152.77738 327.21779 1475.0000 61 0 -153.16098 2.07480 1.74174 -152.95994 316.90317 1480.0000 61 0 -153.02381 2.28001 1.72935 -153.15198 304.67363 1485.0000 61 0 -152.66708 2.49706 1.74348 -152.93298 324.13327 1490.0000 61 0 -153.38196 2.24508 1.74213 -152.95401 317.07974 1495.0000 61 0 -153.17802 2.39054 1.71066 -153.44155 288.88700 1500.0000 61 0 -153.85666 2.19931 1.70165 -153.58126 278.34012 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.47644 -1.60091 2.68335 force_rgl> df(natom) 0.00000 0.00000 0.00000 1505.0000 62 0 -153.92482 2.57311 1.85214 -153.88646 263.83591 1510.0000 62 0 -155.21859 2.47077 1.80712 -154.59170 348.65621 1515.0000 62 0 -154.99324 2.69316 1.78041 -155.01002 331.85674 1520.0000 62 0 -155.28000 2.43457 1.78853 -154.88292 331.68055 1525.0000 62 0 -155.68799 2.13120 1.75703 -155.37625 304.65177 1530.0000 62 0 -155.37829 2.49411 1.73772 -155.67872 296.50843 1535.0000 62 0 -155.58674 2.55013 1.74346 -155.58886 308.82489 1540.0000 62 0 -155.74864 2.31307 1.74029 -155.63856 299.58056 1545.0000 62 0 -156.61245 1.80178 1.70329 -156.21810 281.34948 1550.0000 62 0 -156.45763 1.93281 1.70528 -156.18692 283.16419 1555.0000 62 0 -155.91038 2.72958 1.70248 -156.23075 282.06427 1560.0000 62 0 -155.88880 2.26497 1.72342 -155.90280 298.50655 1565.0000 62 0 -156.13669 2.35616 1.71417 -156.04767 292.81340 1570.0000 62 0 -155.87055 2.65783 1.72746 -155.83954 300.79855 1575.0000 62 0 -155.80785 2.36657 1.72295 -155.91018 302.50941 1580.0000 62 0 -155.71001 2.33939 1.73519 -155.71849 313.84640 1585.0000 62 0 -155.08172 2.74372 1.77013 -155.17106 345.06397 1590.0000 62 0 -156.27130 2.14196 1.74653 -155.54080 318.24402 1595.0000 62 0 -155.84857 2.48599 1.71897 -155.97256 291.50841 1600.0000 62 0 -156.05631 2.22944 1.72129 -155.93620 299.00589 1605.0000 62 0 -156.25176 1.89557 1.71507 -156.03354 295.04472 1610.0000 62 0 -156.19087 2.37425 1.68547 -156.49721 267.49022 1615.0000 62 0 -155.88997 2.42483 1.73232 -155.76341 311.27954 1620.0000 62 0 -156.11320 2.25866 1.71880 -155.97519 298.41119 1625.0000 62 0 -156.19662 2.33675 1.71359 -156.05681 293.66360 1630.0000 62 0 -156.52739 2.11375 1.69321 -156.37601 273.92710 1635.0000 62 0 -155.42802 2.90275 1.70037 -156.26385 280.05297 1640.0000 62 0 -156.10789 2.17379 1.72139 -155.93456 298.70560 1645.0000 62 0 -156.96918 1.68544 1.68878 -156.44545 268.84415 1650.0000 62 0 -155.95306 2.51335 1.68012 -156.58107 258.42253 1655.0000 62 0 -155.65317 2.39023 1.72259 -155.91585 299.34611 1660.0000 62 0 -156.40627 2.07059 1.72020 -155.95320 299.41579 1665.0000 62 0 -156.54705 1.95314 1.69066 -156.41596 271.44528 1670.0000 62 0 -156.35218 2.15841 1.69651 -156.32436 272.80538 1675.0000 62 0 -155.57711 2.61131 1.71495 -156.03541 291.21271 1680.0000 62 0 -155.79059 2.42592 1.74821 -155.51440 324.17463 1685.0000 62 0 -155.92554 2.42861 1.74257 -155.60288 315.28760 1690.0000 62 0 -156.04740 1.97105 1.71275 -156.06994 290.72449 1695.0000 62 0 -155.90968 2.41601 1.70327 -156.21842 280.49299 1700.0000 62 0 -155.82981 2.71030 1.73104 -155.78341 310.59107 1705.0000 62 0 -156.00052 2.12688 1.73262 -155.75862 305.10816 1710.0000 62 0 -155.58022 2.25518 1.73094 -155.78499 308.14829 1715.0000 62 0 -156.18541 2.63722 1.72391 -155.89506 300.39036 1720.0000 62 0 -156.18665 2.33648 1.70927 -156.12442 287.52069 1725.0000 62 0 -156.14335 2.38290 1.72200 -155.92506 300.47275 1730.0000 62 0 -155.58478 2.80611 1.74031 -155.63815 317.32457 1735.0000 62 0 -156.30785 2.01809 1.71441 -156.04392 292.01654 1740.0000 62 0 -156.63358 1.99748 1.69186 -156.39720 271.86733 1745.0000 62 0 -155.99508 2.28164 1.69942 -156.27875 281.25820 1750.0000 62 0 -155.96408 2.12252 1.71695 -156.00414 294.87124 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 1 [min], 32.0759696 [s]. main_MD> Deallocating global variables