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prod.data
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LAMMPS data file via write_data, version 23 Jun 2022, timestep = 10000
2251 atoms
5 atom types
2334 bonds
3 bond types
3417 angles
3 angle types
6000 dihedrals
1 dihedral types
1000 impropers
1 improper types
-10.608944169337558 10.608944169337558 xlo xhi
-12.360582194570355 12.360582194570355 ylo yhi
-28.693478533742308 28.693478533742308 zlo zhi
Masses
1 15.9994
2 1.008
3 12.0107
4 15.9994
5 12.011
Pair Coeffs # lj/cut/tip4p/long
1 0.18481 3.165
2 0 0
3 0.053649 2.8
4 0.156973 3.05
5 0.0663 3.5812
Bond Coeffs # harmonic
1 0 0.9572
2 2566.7 1.16
3 610 1.42
Angle Coeffs # harmonic
1 0 104.52
2 295.4 180
3 80 120
Dihedral Coeffs # opls
1 0 7.25 0 0
Improper Coeffs # harmonic
1 5 180
Atoms # full
685 4 5 0 -4.399439471130998 -5.904637597165135 -24.75826823996709 2 1 0
644 4 5 0 -5.080534071285469 -7.127852865281355 -24.81092818334894 2 1 0
643 4 5 0 -6.509665003582415 -7.182735101546653 -24.6659364250532 2 1 0
681 4 5 0 -4.364052246719085 -8.373105093907323 -24.73158666068534 2 1 0
680 4 5 0 -5.099801308477109 -9.578247074706828 -24.98078109926782 2 2 0
679 4 5 0 -6.499624781990992 -9.657806042564664 -24.803353596163273 2 2 0
646 4 5 0 -7.235250579044058 -5.9220558927595714 -24.78281759641708 2 1 0
642 4 5 0 -7.213725474757115 -8.413294445784102 -24.903562445179954 2 1 0
645 4 5 0 -8.652484781832344 -5.908814756905545 -24.695805513763535 2 1 0
641 4 5 0 -8.648920370445511 -8.425813282724055 -24.764873921524178 2 1 0
717 4 5 0 -4.36240675100284 -10.855719553121258 -24.914917996571685 2 2 0
678 4 5 0 -7.187262956074878 -10.85111929991912 -24.99163788896916 2 2 0
677 4 5 0 -8.642726621518074 -10.835551955129679 -24.904286742619426 2 2 0
604 4 5 0 -9.327620414537082 -7.155914054086174 -24.861554843598647 2 1 0
640 4 5 0 -9.331280038266836 -9.647698008654402 -24.976827913964215 2 2 0
481 3 5 0 -3.580372293382782 -7.671805364088313 -28.359708737066704 2 1 0
403 3 5 0 -9.928769256001422 -6.447751922911967 -28.366149006385058 2 1 0
477 3 5 0 -7.795144246618552 -10.127360809348264 -28.54109141065987 2 2 0
441 3 5 0 -7.844324881263965 -7.664572608205908 -28.341146132593696 2 1 0
517 3 5 0 -3.594838368507057 -10.145900141016678 -28.60338251766589 2 2 0
475 3 5 0 -5.689651843698639 -11.356257289743157 -28.56758432406997 2 2 0
443 3 5 0 -5.670442387384422 -6.409621204937092 -28.26716187318608 2 1 0
479 3 5 0 -5.688686595137407 -8.894120563576077 -28.40232438260087 2 2 0
545 3 5 0 0.7647771143576605 7.17215217692248 -28.36508258097655 2 1 0
401 3 5 0 9.151652855747773 -7.663983872470226 -28.459457883337738 1 1 0
402 3 5 0 10.594864598003475 -7.675542771409359 -28.643634599347926 1 1 0
439 3 5 0 -9.910195163567384 -8.897536372070485 -28.46729120879424 2 2 0
440 3 5 0 -8.504293488869708 -8.899681344825126 -28.629974182462796 2 2 0
435 3 5 0 -9.8818851169094 -11.387309748895964 -28.555257027904734 2 2 0
584 3 5 0 8.511195981200476 5.9424852609127665 -28.652393615480836 2 1 0
582 3 5 0 6.428983850119408 4.733039300644486 -28.66537550589494 2 1 0
480 3 5 0 -4.271657628398986 -8.908951630577539 -28.6594666672043 2 2 0
686 4 5 0 -2.9788426280228815 -5.8740020364863526 -24.98629494444482 2 1 0
682 4 5 0 -2.968606578761168 -8.35014619500794 -25.02344012759464 2 1 0
718 4 5 0 -2.9430318420362505 -10.815662311055405 -25.09960527102107 2 2 0
519 3 5 0 -1.4516927560464639 -8.930308790949168 -28.51862104612166 2 2 0
483 3 5 0 -1.4700208155914591 -6.401641182615069 -28.435399974940307 2 1 0
683 4 5 0 -2.2708156040658505 -7.101530106450247 -24.92308004283198 2 1 0
719 4 5 0 -2.2353838814291094 -9.585295652030366 -24.92995913889746 2 2 0
684 4 5 0 -0.842968180621185 -7.094909083859145 -24.973079334601863 2 1 0
720 4 5 0 -0.8085339018215831 -9.574466763167077 -25.02537935937666 2 2 0
725 4 5 0 -0.13254478948367554 -5.834097461371589 -24.77046243122826 2 1 0
721 4 5 0 -0.0992837868402125 -8.341827329928396 -24.85729999201934 2 1 0
726 4 5 0 1.2842998675050856 -5.87555727674631 -24.921318594985873 2 1 0
723 4 5 0 2.021158878414231 -7.114271963812921 -24.736880218830148 2 1 0
724 4 5 0 3.4560847166258286 -7.132513893697218 -24.80078160792794 2 1 0
722 4 5 0 1.3248175913805125 -8.320366021585963 -25.00881398433573 2 1 0
759 4 5 0 2.0438342010417863 -9.546643562278096 -24.776354632885194 2 2 0
760 4 5 0 3.4530343295677284 -9.56598358486961 -24.824197806523458 2 2 0
757 4 5 0 -0.14817752329869005 -10.839685689661195 -24.832037370418583 2 2 0
758 4 5 0 1.3170308963608583 -10.827913172343889 -24.942927368728885 2 2 0
523 3 5 0 2.7789286135897138 -6.4478878862822455 -28.46865675581203 2 1 0
521 3 5 0 0.6688930414877473 -7.678800101947895 -28.53602981531945 2 1 0
557 3 5 0 0.6616230655571529 -10.135204144788744 -28.51239561899561 2 2 0
559 3 5 0 2.7935634662775244 -8.926892154104795 -28.49768970060043 2 2 0
515 3 5 0 -1.4218262048032462 -11.339015020787883 -28.574099209337906 2 2 0
555 3 5 0 2.821709876609192 -11.36961099729066 -28.405078064175683 2 2 0
531 3 5 0 2.7619028512217603 -1.5176047357659752 -28.353463099446024 2 1 0
554 3 5 0 2.154362619802399 12.103294508073631 -28.53621955828764 2 1 0
431 3 5 0 -9.921648348374495 10.917428235515674 -28.484044889918202 2 1 0
492 3 5 0 0.007004506110732159 -1.4791012233684881 -28.449085983800657 2 1 0
414 3 5 0 10.567857792040714 -0.2061358127870924 -28.508323103724603 1 1 0
550 3 5 0 2.154343168128503 9.657460419025647 -28.440081054820453 2 1 0
595 3 5 0 7.072563892861095 -11.369043541754964 -28.634991548633558 2 2 0
522 3 5 0 2.0953344307087716 -7.6966459850531646 -28.58883962678674 2 1 0
765 4 5 0 4.094887902755817 -5.893266357969262 -24.632517195711376 2 1 0
761 4 5 0 4.16811567776475 -8.338695683235734 -24.58303467529355 2 1 0
797 4 5 0 4.076389142294847 -10.829236602964171 -24.62401799113263 2 2 0
456 3 5 0 -4.257706632605948 0.9792203664579836 -28.538085115294912 2 1 0
766 4 5 0 5.514615838125322 -5.888434481753604 -24.828769239737255 2 1 0
762 4 5 0 5.556500209172078 -8.358320667138766 -24.699488415726695 2 1 0
763 4 5 0 6.2492005706646045 -7.13684943828415 -24.62653746062046 2 1 0
799 4 5 0 6.259799807719907 -9.5968453720949 -24.65318536434305 2 2 0
764 4 5 0 7.679502197501445 -7.157078875281104 -24.81417094674433 2 1 0
605 4 5 0 8.360273139590136 -5.914351012433249 -24.65590302895259 1 1 0
606 4 5 0 9.760794573600753 -5.89006173156338 -24.95417957722073 1 1 0
603 4 5 0 10.452152366126816 -7.162972511262251 -24.80443882633459 1 1 0
601 4 5 0 8.357641510408575 -8.411900758789601 -24.69526896117697 1 1 0
602 4 5 0 9.794933244054327 -8.425580303867433 -24.938468574535715 1 1 0
800 4 5 0 7.663936606709358 -9.63091180202129 -24.941565838689986 2 2 0
639 4 5 0 10.464523698910257 -9.667174898556862 -24.85690119852383 1 2 0
593 3 5 0 4.95238249596691 12.11853015354456 -28.43206269385921 2 1 0
798 4 5 0 5.498094531252381 -10.791038310067025 -24.815318968306986 2 2 0
638 4 5 0 9.72726477007561 -10.8571089983841 -25.025335005691762 1 2 0
507 3 5 0 -1.3857543091269429 8.442531489009191 -28.575577350470862 2 1 0
637 4 5 0 8.343239624049298 -10.875359072840554 -24.880636524031527 1 2 0
561 3 5 0 4.903009411378822 -7.6676558517766304 -28.427138609924725 2 1 0
576 3 5 0 8.448549766134828 1.0270347191081437 -28.640238882567544 2 1 0
1241 86 3 0.7 7.528771333125532 -3.6768673699525882 -14.88477077983988 -6 -1 0
530 3 5 0 2.0796776985896828 -2.7610288157635816 -28.578314918298606 2 1 0
509 3 5 0 -3.482347384916548 9.675250284672764 -28.561562407983224 2 1 0
572 3 5 0 8.493350033153519 -1.46246822660986 -28.570145390609337 2 1 0
486 3 5 0 -2.1880301585898163 -5.1682198002513475 -28.40514412284691 2 1 0
562 3 5 0 6.314663400703905 -7.645754211001414 -28.621676433884666 2 1 0
888 5 5 0 4.827984346449414 -11.98328547683209 -21.261452242767025 2 1 0
544 3 5 0 4.278981101383935 5.916567460245174 -28.53787413450475 2 1 0
497 3 5 0 -3.5563081522700593 2.2111400571849806 -28.472983481847265 2 1 0
442 3 5 0 -6.364610376412384 -7.64946843918067 -28.44652379589995 2 1 0
1248 88 4 -0.35 -10.361614592869302 1.49146572500182 -14.720687606509378 -2 -1 0
410 3 5 0 10.566303429164623 -2.6799234781462657 -28.391696616009284 1 1 0
540 3 5 0 4.217388086753747 3.442366061951869 -28.524247762005977 2 1 0
447 3 5 0 -5.6755939483294675 -3.9426650950255215 -28.203828869668655 2 1 0
493 3 5 0 -3.543088398794902 -0.27294167355413634 -28.265420505488304 2 1 0
411 3 5 0 -9.959418496095088 -1.4378745976353102 -28.25301711588807 2 1 0
648 4 5 0 -5.107646784188935 -4.691030195015997 -24.94556477091442 2 1 0
647 4 5 0 -6.534883138945192 -4.697634703932409 -24.711371814898424 2 1 0
689 4 5 0 -4.409815993215172 -3.474896485800742 -24.813478911752917 2 1 0
652 4 5 0 -5.12622171153519 -2.245721174277896 -24.98498949624386 2 1 0
651 4 5 0 -6.510456419200445 -2.247520961811127 -24.725695184315338 2 1 0
693 4 5 0 -4.449394818126329 -1.0248895004524747 -24.72260281601677 2 1 0
656 4 5 0 -5.158379593409434 0.2696001597584558 -24.898331232136574 2 1 0
655 4 5 0 -6.573482391532695 0.2733231156917868 -24.72732029730198 2 1 0
650 4 5 0 -7.217501432600344 -3.474603738951988 -24.87117199226757 2 1 0
654 4 5 0 -7.247396980144173 -0.9811906500358365 -24.83146842068381 2 1 0
649 4 5 0 -8.630520827536476 -3.469234639117852 -24.74917039195143 2 1 0
653 4 5 0 -8.650154910463575 -0.9751053264668711 -24.69749849822953 2 1 0
608 4 5 0 -9.313539206398453 -4.702237015903449 -24.94972498533392 2 1 0
612 4 5 0 -9.359744232457539 -2.21216454620349 -24.883407232202014 2 1 0
616 4 5 0 -9.343339199994416 0.27539727127676067 -24.913588759688587 2 1 0
449 3 5 0 -7.85960223040307 -2.7501376023449944 -28.161608837261763 2 1 0
407 3 5 0 -9.940020520290311 -3.9696557918034796 -28.2708504581061 2 1 0
489 3 5 0 -3.572916935931419 -2.7124445688057364 -28.181153557686795 2 1 0
485 3 5 0 -3.594083088199716 -5.197810680449157 -28.271228630230524 2 1 0
570 3 5 0 6.326307106407122 -2.7357020797208245 -28.634400864844753 2 1 0
451 3 5 0 -5.700280186563264 -1.4957678281646356 -28.21918603080565 2 1 0
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