File: template-mix.data

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lammps 20260211%2Bdfsg1-1
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file content (7783 lines) | stat: -rw-r--r-- 573,839 bytes
parent folder | download | duplicates (4)
LAMMPS data file via write_data, version 22 Oct 2020, timestep = 2500

3872 atoms
2 atom types
1 bond types
1 angle types
1 dihedral types

-24.0 24.0 xlo xhi
-24.0 24.0 ylo yhi
-24.0 24.0 zlo zhi

Masses

1 14.027
2 16.043

Pair Coeffs # lj/cut

1 0.118 3.905
2 0.294 3.73

Bond Coeffs # harmonic

1 260 1.526

Angle Coeffs # harmonic

1 63 112.4

Dihedral Coeffs # harmonic

1 2 1 3

Atoms # template

601 101 1 1 1 -1.087996679257739 -23.763201727945184 -5.490974874651076 0 0 0
1968 328 1 6 1 17.380864125922855 -0.15934377187330695 -14.282560200070703 0 0 0
55 10 1 1 1 -16.866982326556975 -18.98433242231812 -22.90866336623191 0 0 0
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251 42 1 5 1 -18.62361707040709 -19.38459115747375 -18.62342757280935 0 0 0
252 42 1 6 1 -18.882600629495077 -18.001361054570765 -19.144973883717636 0 0 0
3186 0 0 0 2 -21.22745669109329 -21.266969122142054 -19.878139528646663 0 0 0
60 10 1 6 1 -15.395415466645606 -19.221131780547672 -22.85619111204603 0 0 0
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Velocities

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1923 0.0018227379818360693 0.006361192666115857 0.004710327275109751
1918 0.005643906784087785 0.0009937912300414964 -0.006304521624583891
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1876 0.0008783952691315668 0.0019213802285663647 1.2317463975023865e-05
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1699 -6.881012840754671e-05 0.0045734191142585 -0.0017015655316322993
1700 -0.003989854227582833 0.002133493029457649 -0.005806450994538331
1704 0.0005373498490995456 0.005622173775158642 0.0011549066519405923
1708 0.0005720806495398399 0.0007684700813946632 -0.0018453490944655806
1891 0.00018963855411283242 -0.0004396048100379571 0.000805017031041489
1892 -0.001004084947155679 2.904359467708716e-05 -0.01043948863320242
1893 -0.0005217170371723391 -0.005362100591949148 -0.0022556509843164206
1895 -0.009756964534141117 -0.002603147944523635 -0.0034429187946007243
1896 -0.00654004239099892 -0.006636399670251274 0.0020769378316587723
219 0.005819886553066677 -0.005625980421621958 6.666742006646679e-05
3510 -0.004799168473914254 -0.004763839635859114 0.002061953938975142
1709 -0.0017668273529614991 0.0011001422040176837 0.0014840899052223798
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1707 -0.0008371707987307408 0.002835699421631895 -0.003522387589358722
1894 -0.007362491955379558 -0.002381399258609016 -0.0013112234880948378
2491 -0.00806689335533982 0.0010618492335924966 -0.007972236349257348
772 -0.004035539871019425 -0.002921893889435912 -0.00870128211666586
3587 -0.003233598817783391 -0.0009776649376289806 0.00259891839408001
1902 -0.00787414439531075 -0.0035472197901789777 0.005267053596335925
1901 0.002680951104616525 -0.006077423349397069 0.0021929405902709168
3491 0.00048102407878718737 -0.0024838125267327284 0.00019031442113917098
1897 -0.002348917710242964 -0.013090640148100918 0.0020413535989929547
1899 0.0037847643165995802 -0.001999089843847963 0.0025914127411255906
1900 0.0020086502284861344 0.002742404303062673 0.0011296457261649438
1903 0.002504338486763273 0.0005978513245410754 0.007281060258770448
1906 -0.004232378648206126 0.0010278403578523295 0.0008494399235102063
1908 -0.0002404693610380037 -0.002960258509229163 0.004797568987213104
223 0.000714524474718418 0.001901905964453665 0.0005687719397841209
3503 0.0008479313274422473 0.002895023604592219 -0.0006016612656438479
3519 -0.0016235494309494631 0.00041958623011359864 -0.004787340081880675
3552 -0.0011925261784761097 -0.00037135034823366836 -0.0017882567985836883
1898 -0.006005005755769485 0.0024774274781899654 0.003543590484310094
1904 0.0002798633223084107 -0.0025574733465636356 0.0014029742855707244
1759 0.005409912303177956 0.0013679146897030035 -0.0017642467578673055
2465 0.02115846512866594 0.0025574157889327945 0.0010856412715890514
3863 -0.001396332795273474 -0.0014182453485794087 0.0014887211491733652
3627 -0.005481825550002791 -0.0056254165178180665 0.00015130085260095616
1907 -0.009082881837203237 0.003303761222918982 -0.0007356879060618535
3612 0.0009232025704116325 0.00498912138926005 0.004994026821514563
1909 -0.0054537043154709985 0.001257578627211681 0.005149270744472889
1910 -0.0021958299733902675 0.0032599143907032276 0.007535384392776359
1911 -0.004390045426314179 0.004317388782585672 0.007971861518423143
1912 -0.007730154080836697 0.007054649982444395 0.0040222363693015566
1913 -0.004181784050375902 0.005803580701179339 0.008657450548940022
1914 -0.00039904663231504826 0.0013142015663966747 0.0017250787168833967
1592 -0.01106235430298033 0.000540729374344115 0.0031423792141509733
234 -0.002944873060217965 0.0036351112557218403 -0.00208407026427662
3549 -0.004315677693101216 -0.0005494954941948522 -4.787317004605366e-05
3658 -0.0007366681875705482 -7.643883985905492e-05 -0.007974073745081214
3599 0.005641720569596938 -0.0038042755902119112 0.0034757743549963228
3554 0.0014407559666886672 -0.0010577188491680664 -0.00533910848188827
229 -0.002764433952305347 0.0005497221281325467 0.0032453225501523552
1728 0.0012404321837064351 -0.0021396519910785636 0.0057056807016258515
2492 -0.005459479201513854 0.0009935652916705053 -0.0012902767258548677
1916 -0.0027812794247713494 0.00823759445421753 0.00749863152089618
3236 -0.001981468467344817 -0.004780340893177841 0.001643200825396837
194 -0.00010135849245046098 -0.005413378269504149 -0.00019438743214763524
3495 -0.0011597642678718855 -0.0006791421139449165 -0.0015575655435139742
1723 -0.0055861230077350575 -0.0031400546002046605 0.004000772693398644
1915 -0.002411913874902318 -0.0015067619537997919 -0.0002295067040116426
1919 -0.0031730987545943554 0.0012779450289740356 0.002704416215051982
1920 -0.0064898225533693895 0.00043899495860222137 -0.008225086220929566
3508 -0.0012286014952041975 -0.009877664644707986 -0.001111689046524871
3671 0.000569121888854535 -0.0038172923677133046 0.005260243239291172
3499 -0.0031726628017972325 0.0013583330826811369 0.007462494489162377
1724 -0.0054751360866711635 -0.0027575739313180562 0.0037839194996043745
195 -0.001967586423029576 0.0010987752918525608 -0.003953036020162839
196 0.0014833534038858104 0.0009310750038875981 -0.006968628193296031
46 0.0032040618733403772 0.00504286168647106 0.003146611754812432
1782 0.005908386050594236 0.004587803405734006 0.0008575336119382139
2464 0.012324262370946273 0.0007002544433674632 0.001608199479959326
1924 0.000413274481207017 0.0024565823655957526 0.0037763715839461785
3193 -0.003889558609244727 0.001271459891765458 -0.005843523269937843
3585 0.002069796059561193 -0.0009647522235640152 0.001628741593659821
1972 -0.002478143727000441 0.005502121090960161 -0.0020266545813088324
1973 0.0001788274303425381 0.0014617218494728896 0.006831756800893373
1975 0.005459910543056054 -0.0007650245562446964 0.003492369568666699
1976 0.00012716201283497004 0.0029135674128351716 0.004206282495349097
1979 -0.005146201630685981 0.001898967506154253 0.00045965201312715047
1980 -0.005005406334562421 0.00014841313939993592 0.003039960895175782
3482 0.0025555501206142098 -0.008693685938664344 -0.00785272644849969
3571 -0.002528602480331877 -0.00887621545396299 -0.003672322145251333
1974 0.004038769943954769 0.0013125832007457167 -0.0053368648584809966
2172 0.004565599486908148 -0.0006384316707795152 -0.0017550334112743384
2167 0.0004831149507539284 0.001362034709684776 -0.0037748822216901825
2375 0.0049792362062823625 -0.006419389941638132 0.0010776961640601643
199 0.0009401664658535881 0.0022560886702080556 -0.00033165124311386934
1934 -0.010093659901974349 0.0025522996516421687 -0.001010530505378242
1933 -0.005041077518589261 0.00042659125488989325 0.009130944677282182
1935 0.003918611287066285 -0.00170698749460489 -0.002470098418871081
1726 -0.007222679902852816 -0.00941510238534454 0.0010108198346802817
1981 -0.004318146662041348 -0.008375480590369903 -0.0018856535994540853
1982 -0.0038422120466057243 0.007406478833990503 0.0001064149219339009
1983 0.00441372712978484 -0.004118748983809491 -0.001745211215623804
1984 0.0003560491780269911 -8.872623322675699e-05 -0.0006997276591248611
1985 -0.003409219589132149 0.003419532290185735 -0.0052853279941306695
1986 0.00046991978472089277 0.008404047659730655 -0.004287561727557714
3622 -0.0035101465336773033 -0.006793577300680575 -0.0018523610360520351
3535 -0.0015054681941506854 0.00248087984147309 0.0025043248477613494
3673 0.004706527568175292 -0.0028561599407440387 -0.0009715517436717571
3567 -0.0002731924362204869 0.00021580308783671333 -0.00021343651003010662
2387 -0.000593326851041705 0.005852654460745085 -0.0033821607858097076
3661 0.0014791074579299619 -0.001633712319250556 -0.0022729945516848644
610 0.005090728818991415 -0.0014455033530199456 0.004598776562109591
1987 -0.0030570470145343974 -0.006174944282099992 -0.009060879943573057
1988 -0.001689764383406898 0.009914843158831513 -3.0648111274334855e-05
1989 0.005761920959085135 -0.004184529456096026 0.0004351726808763791
1990 -0.0014307274175453502 0.0007293332211057449 0.0007069091231735217
1991 0.0045502033008669365 -0.0005252343516413712 0.00876268362046239
1992 -0.008345848103534052 -0.0019382770670096636 0.004179744811003609
1996 0.0071942788422281224 0.0023990407713952305 -0.0007164156640966123
1997 -0.002849016075135707 -0.001078558629512108 0.009533071868034535
3494 5.185811192071261e-05 0.0016225186914303835 0.0023720688297994477
1995 0.00040198698042401575 -0.0068435058426002116 0.005630860868560374
3641 0.0006138599966168504 0.0017595049322700743 -0.008308996218220916
2187 -0.004689705000437256 -0.003988130676853481 0.003211968440845247
1953 -0.0033756733341960966 0.0022895447333542785 -0.00019616689742102145
1956 0.002938635077075915 -0.0017990642821718512 -0.0058851706961430715
1951 0.004590272731635944 0.003214417516001303 -0.0032310189396217745
1993 0.00636986737001441 0.0029403930869170785 0.0011182761089137047
1994 -0.0027643847452781018 0.004002772057918617 -0.0028152027547608816
1998 0.002274929833833329 -0.008537039002114942 -0.0017841993748395806
1999 0.00315079098666427 -0.009948504686425372 0.0009213606566782274
2000 0.002446312741825093 -0.002490407404601214 0.002690432011293675
2001 0.002534281300998579 0.00998825802511034 -0.002987609253808023
2002 -0.00038861039773877145 0.005701303113169743 -0.0019989711887200244
2003 -0.006126997995616793 -0.007604671937367091 -0.0013286636518715204
2004 0.0007468968407156377 0.0035736513696691097 -0.0021193644042255427
3484 0.0013543908098139238 -0.008038818057791561 -0.000727494701753514
1955 6.926381137942676e-05 0.0025922632578206915 0.0005202788465906077
2196 0.0004726881823190006 -0.0012153954208631362 -0.0005468080966294308
2195 0.0007735146874699633 -0.0003975938470913357 0.00144459148513277
2194 -0.005544341580281461 -0.00029528298247301707 0.0017768885781243831
2193 -0.004508768272096063 0.0005526175908507268 -0.0010410094533602379
3606 0.004559354728259743 0.0025362293567324085 -0.000231717815836941
2192 0.0016374645773312203 -0.00010206696554991557 0.0009216533526166104
2191 0.00158259184336782 -0.0009056694358623521 -0.001298470507394665
1954 0.0025607104484032636 0.0040458234376479696 -0.0012034622749277901
1625 0.007600199669023785 -0.003587835949029777 -0.0005361165050597395
2376 0.0037825062990870634 -0.0022332751978838272 -0.0065440646659597704
1952 0.0004509999663127233 -0.002459184742083149 0.001744774817409383
2005 -0.006463356533462928 -0.0016519283730638617 0.0019976655240743807
2006 -0.0036387288590201215 -0.007536224135950514 0.000972499748937569
2007 -0.001753351753737641 -0.0010055223105779778 0.003290547560729933
2008 0.0014997302384358545 0.005194125388552765 0.0010822554268051492
2009 0.002921123881757213 0.003260496533482173 -0.0014678043233316924
2010 0.001041197996915735 0.005017510692532278 0.0010846435289579863
3678 -0.0015684273163413813 0.01071830476379869 0.003078511043669024
1958 0.0008228153752458923 -0.0025084557881561954 -0.003245056765919065
3568 0.005557056326908686 0.0065988614670324285 -0.0033984138366061935
1959 -0.0006050587043375607 -0.007511986960230277 0.0012372718127768136
1957 -0.005073566790490693 -0.005362554354829005 0.003170117398637592
2151 0.003980328723585245 -0.004486381559513333 0.0016892921239075754
419 -0.000601948690535961 0.0024726841098281034 0.00025725937523441583
1734 -0.0012188040084916908 0.0035907807228984763 -0.011677543548989746
3574 0.0027048299918987157 0.0009706544055265469 0.0032827396632096246
2299 0.004246960061660437 0.004821562937641285 -0.0013755407469486752
1561 0.004374228062770217 0.0020402747375853608 -0.0010556946282155194
3676 0.0006853666277618171 -0.004632214117947897 0.0010952231673401903
1971 -0.003438265983638171 0.00194528267687394 0.0015926073492545363
1969 0.0033619618154535013 0.003242818025343891 -0.011430190196793312
1970 -0.006072469064849097 -0.0060595792573455735 0.0012372645559574661
2011 -0.005470832288839324 0.0008954906588602242 0.0014040816863992883
2012 -0.002135609279878388 0.006961221272029196 0.004030834085763429
2014 -0.009155832287130853 -0.0037023879751726064 0.0028898432890015016
2015 -0.000861951786179173 -0.003588830550677786 0.003664401613823872
2016 0.0013633319787313503 -0.005027216062125339 0.003943323007475217
3569 0.007380512743818022 0.0021123850275612936 0.00261294062258026
3648 0.007508175881997277 -0.006635562263246512 -0.002425889780547433
2013 -0.0007420576415275555 0.0008333427169873982 -0.0037362430763946265
2164 0.0032556977557093953 -0.0006342543215784855 -0.0015410185910088225
2205 -0.0026025250753193424 -0.0017139268404408137 0.00021424552759403124
1729 0.00045591430422848716 -0.004659243691219603 0.0014643508547420958
2358 -0.00023722165355210946 -0.002114542372127202 -0.0012103960831549184
1828 -0.0033697449875005575 0.002230230203859253 -0.001577574324922999
3469 0.007200175517789802 -0.006741024747659008 0.005922493582489017
1977 -0.004087550071835729 -0.000690293296571391 -0.00047538194782410466
1978 0.0036079835098046143 -0.006191595559464254 -0.0005177981322523162
2023 -0.00037460318746305196 -0.006354281478627195 0.0034722385746864
2024 -0.0008317606005856091 -0.006129967959787037 -0.00400524709753449
2025 -0.00632073324734467 0.008806095815399682 0.0030773320559097962
2026 0.002920079801538065 0.0002473319549963313 0.0012148680812487107
2027 -0.0018919001583337458 0.009383742003713459 0.00035643134859504404
2028 -0.0003393220855155376 -0.005470233304098993 0.000765520662716882
3524 -0.006331206992886474 -0.004536758573075138 -0.002551330013751556
3525 0.005063232575321563 -0.003932505970703108 0.00806025728607376
3596 0.005697383352709621 -0.0008882069056930085 -0.007166656739865473
2215 -0.0012231041919731577 -0.0016729483937413011 0.0035929750626131044
2262 0.0017464885033743997 -0.003532794564872099 -0.0046299358494856354
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