LAMMPS data file via write_data, version 2 Aug 2023, timestep = 474, units = real 60 atoms 2 atom types -4.299123341756503 4.299123341756503 xlo xhi -2.482098674018794 2.482098674018794 ylo yhi -6.733320213767836 6.733320213767836 zlo zhi -2.938230635227232e-09 -1.1002756211821594e-06 4.406565823245654e-09 xy xz yz Atom Type Labels 1 OCR1 2 CRO1 Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 15.9994 2 51.996 Pair Coeffs # lj/cut/coul/long 1 0.2 3.06469 2 0.2 1.71943 Atoms # full 1 1 2 1.65 4.298983719195108 -2.482073715239935 -6.70932532249596 -1 0 1 2 1 2 1.65 4.298982563556147 -2.482072730009143 2.7237043444764186 -1 0 0 3 1 2 1.65 4.298983202028096 -2.4820735894124963 0.024007286476244616 -1 0 0 4 1 2 1.65 4.298983150506131 -2.4820745797466364 -4.0096398679627026 -1 0 0 5 1 1 -1.1 4.181269250640333 -0.7593785894698313 5.86273029607249 -1 0 0 6 1 1 -1.1 4.298981418021948 -0.9632617635182306 1.373855651785366 -1 0 0 7 1 1 -1.1 -4.1815526288411125 -0.7593789101097506 -3.1150449196281245 0 0 0 8 1 1 -1.1 -2.983936160982211 -1.7226679753519076 -5.3594822813370975 0 0 0 9 1 1 -1.1 4.181271264285011 0.7594308918439157 -0.8705965585079571 -1 0 0 10 1 2 1.65 -1.4331812323716253 -2.4820737051986588 -6.254068130112565 0 0 0 11 1 2 1.65 -1.433181503663298 -2.482073439485981 4.512889197057863 0 0 0 12 1 2 1.65 -1.4331809842713175 -2.482073866352873 -2.2204459850742255 0 0 0 13 1 2 1.65 -1.433181751777818 -2.4820736017298173 0.4792529401574992 0 0 0 14 1 1 -1.1 -1.4331826920666484 -0.9632641492790364 5.862730613737787 0 0 0 15 1 1 -1.1 -2.7485114887059874 -1.7226686767229467 -0.8705964863842794 0 0 0 16 1 1 -1.1 -2.8662250451015288 -1.518784850913152 3.6182991733833347 0 0 0 17 1 1 -1.1 -0.11785192788673093 -1.722667789984305 -0.8705962475894378 0 0 0 18 1 2 1.65 -0.00013966731143444377 2.5035171677512125e-05 -6.7093249295421185 0 0 1 19 1 1 -1.1 -2.9839334167382683 1.7227201002292625 1.373855558025971 0 -1 0 20 1 1 -1.1 -4.18155036734385 0.7594326702126497 3.6182994234086276 0 0 0 21 1 1 -1.1 4.298985366138614 0.9633135572729756 -5.359482048463188 -1 0 0 22 1 2 1.65 -2.86622273650851 2.5092528776582412e-05 -1.7651991555133124 0 0 0 23 1 2 1.65 -0.00014111916244807787 2.521817267142623e-05 2.7237044004506856 0 0 0 24 1 2 1.65 -2.8662220241904453 2.4409805063463352e-05 -4.464892241329573 0 0 0 25 1 2 1.65 -0.00014025142419438197 2.4956932240804974e-05 0.024007591801394668 0 0 0 26 1 2 1.65 -2.866222539586143 2.5588196155723608e-05 2.2684553061658494 0 0 0 27 1 2 1.65 -2.86622332112473 2.4907441683374998e-05 4.968144261994912 0 0 0 28 1 2 1.65 -0.00014060352733924475 2.4782232717512898e-05 -4.009639902268478 0 0 0 29 1 1 -1.1 -1.5508944812397147 -0.7593824940741964 -3.1150454161518235 0 0 0 30 1 1 -1.1 1.315189782866911 -0.7593788990192147 1.3738560092117034 0 0 0 31 1 1 -1.1 -0.11785379907148297 1.7227201817004523 5.862730888179895 0 -1 0 32 1 1 -1.1 -2.8662197738422623 1.5188354649846532 -3.11504530942906 0 -1 0 33 1 1 -1.1 -0.00014238085129036904 1.518836575392379 1.3738558999297652 0 -1 0 34 1 1 -1.1 0.11757056030258717 1.7227201027696588 -3.1150449605925368 0 -1 0 35 1 1 -1.1 -1.315469463590322 -0.7593816598431595 1.37385577899183 0 0 0 36 1 1 -1.1 -2.748509401285567 1.7227187818518686 5.862730372806103 0 -1 0 37 1 1 -1.1 0.11757296656018124 -1.7226662571456566 3.618299655609148 0 0 0 38 1 1 -1.1 -1.3154691560711513 0.759427808516778 -5.35948205863049 0 0 0 39 1 1 -1.1 -0.00013843276847769204 -1.5187848130444972 -5.359481793518274 0 0 0 40 1 1 -1.1 -1.4331808252670855 0.9633118134363836 -0.870596378818723 0 0 0 41 1 1 -1.1 -1.5508931262112386 0.7594280759938816 3.6182992010797452 0 0 0 42 1 1 -1.1 1.3151871823602965 0.7594309299322859 -5.359481550983786 0 0 0 43 1 2 1.65 1.4329003121241266 -2.4820742390094868 -1.765198972547883 0 0 0 44 1 2 1.65 2.8659420650488414 2.5051884749327513e-05 -6.254067734745206 0 0 0 45 1 2 1.65 1.4329010986274415 -2.482073569871213 -4.464891965075246 0 0 0 46 1 2 1.65 2.8659414300710218 2.5918983357353653e-05 4.512889162652419 0 0 0 47 1 2 1.65 1.432900510808472 -2.4820737395627313 2.2684554902343024 0 0 0 48 1 2 1.65 2.8659420120608257 2.4078215573819506e-05 -2.2204459323420247 0 0 0 49 1 2 1.65 1.4328997969409007 -2.482073068679405 4.968144538500601 0 0 0 50 1 2 1.65 2.865941476773367 2.494466582536603e-05 0.47925324424959115 0 0 0 51 1 1 -1.1 1.4329027097310094 -0.9632631982675379 -3.1150449169759837 0 0 0 52 1 1 -1.1 2.8659401872703913 1.5188348327167893 5.862730867781224 0 -1 0 53 1 1 -1.1 1.550613943051908 -0.7593796609461434 5.86273110030967 0 0 0 54 1 1 -1.1 2.983654479256959 -1.7226707644989547 -5.359481469459189 0 0 0 55 1 1 -1.1 1.5506117101717622 0.7594296757676462 -0.8705960331948397 0 0 0 56 1 1 -1.1 1.4328974359040298 0.9633138339023786 3.618299565124973 0 0 0 57 1 1 -1.1 2.865942058699517 -1.5187871918981228 -0.8705961283579082 0 0 0 58 1 1 -1.1 2.7482300634593226 -1.7226702592888206 3.6182991588853266 0 0 0 59 1 1 -1.1 2.7482288502075782 1.7227159316067566 -3.115045184066924 0 -1 0 60 1 1 -1.1 2.983654029080051 1.7227170056821328 1.3738560914244324 0 -1 0 Velocities 1 -4.007555942645197e-09 1.3774003809245467e-09 9.666302869003269e-06 2 -3.957301005547087e-09 -1.5315108635044946e-08 -9.768378215990951e-06 3 -5.1948918605336536e-09 -2.455673587281794e-09 9.393645364897891e-06 4 -5.496968315289453e-09 1.4095524255245656e-08 -9.234745356268844e-06 5 2.807676573436484e-06 -1.6405545277824813e-06 -6.582802392205255e-08 6 2.5380698642531146e-08 3.1803296610228718e-06 -1.8725249776824032e-07 7 -2.7586806299992946e-06 -1.6387690142875714e-06 2.5800375607645026e-07 8 2.8236128110742483e-06 1.5892712154390841e-06 2.0160208386884867e-07 9 2.773668845565884e-06 1.59034477059733e-06 7.67956280857902e-08 10 4.6764957238954116e-09 6.492739384460426e-10 -9.500655842871155e-06 11 -1.2459071378304784e-08 4.835574429017277e-09 9.341095161998752e-06 12 -1.0355719886028182e-08 -6.260178952422227e-09 9.678879593395152e-06 13 3.6632795834328984e-09 -2.027954271960597e-09 -9.525542471246291e-06 14 1.2540730752611418e-08 3.2380316266120435e-06 -7.47757437425465e-08 15 -2.7638403752180247e-06 1.6062616265794598e-06 7.659742267426412e-08 16 4.251982962906897e-08 -3.2169142427333195e-06 -2.6456703007520373e-07 17 2.769555652687888e-06 1.5913057567393012e-06 6.793596431480994e-08 18 -4.6383985841666054e-09 -9.129174602790082e-10 9.655111222800892e-06 19 2.749492448718956e-06 -1.6391637807948308e-06 -1.8862074830315732e-07 20 -2.8206532528263524e-06 1.5545612650154409e-06 -2.705432577777985e-07 21 -5.109605106017887e-08 -3.219779962091213e-06 1.9726532001737197e-07 22 -1.7769823070784855e-09 -8.026515428037865e-09 -9.259210058759414e-06 23 1.0428682784705222e-08 6.498462500368905e-09 -9.76664203411686e-06 24 -1.0227918588151708e-08 1.1447172339269055e-08 9.81161311153611e-06 25 -3.1570826045112185e-09 1.8196252773963943e-09 9.386606317842155e-06 26 -1.0766702690800222e-08 -1.0558209470473351e-08 9.20386593496481e-06 27 2.521563790219843e-10 8.432535335142825e-09 -9.771737740174594e-06 28 1.2381720857102614e-08 -5.3344788812457124e-09 -9.229099551586588e-06 29 2.8030817493226315e-06 -1.5631205946501963e-06 2.684027199193021e-07 30 2.754448351763216e-06 -1.6309324837771431e-06 -1.9669272342561659e-07 31 2.7964775423768584e-06 -1.6454079959229744e-06 -8.712716514159379e-08 32 -6.446859555506897e-08 3.204381190675748e-06 2.701300338127173e-07 33 4.3215523613478844e-08 3.1913904735014623e-06 -1.948771019091385e-07 34 -2.7525216829879356e-06 -1.6491926621238795e-06 2.665794087457008e-07 35 -2.786280730281657e-06 -1.5710059039197499e-06 -1.880380165227273e-07 36 -2.820455764153577e-06 -1.6069220823727166e-06 -6.670683584477355e-08 37 -2.820012410483165e-06 1.5603574889133896e-06 -2.7348040269264633e-07 38 -2.7787988434102576e-06 1.6590307753686764e-06 2.0233508274738852e-07 39 -3.3393438582003055e-08 -3.2290874745064336e-06 1.906361533754566e-07 40 -1.751460901996424e-08 -3.1856951611905608e-06 7.49815591519447e-08 41 2.75771369825534e-06 1.6646629747409646e-06 -2.718007356891672e-07 42 2.8244432560462724e-06 1.5857901906733195e-06 1.8231464403335084e-07 43 1.0715524614694432e-08 1.058119993521043e-08 -9.256982477353954e-06 44 4.01770146926819e-09 -1.2161013045840786e-09 -9.511143949959521e-06 45 -3.8426403880131777e-10 -8.389611112008655e-09 9.809606453678898e-06 46 4.905456598265674e-09 -1.4302163558420533e-08 9.346385849405701e-06 47 1.570498693767823e-09 7.802272775159795e-09 9.205182197400995e-06 48 4.531691670063272e-09 1.55185105038162e-08 9.68065944825841e-06 49 9.528260100030092e-09 -1.1482037096849243e-08 -9.773339895303576e-06 50 5.513145991711357e-09 2.9857795199336977e-09 -9.532560710972876e-06 51 -3.219769477324302e-08 3.203415752119053e-06 2.5878717945059293e-07 52 3.057329083690659e-08 3.227879705342868e-06 -8.19892999859338e-08 53 -2.821277710950754e-06 -1.6113540015939709e-06 -8.630701972054884e-08 54 -2.789095312660138e-06 1.6539539550992959e-06 1.81660995072559e-07 55 -2.757927159040512e-06 1.6135398508216914e-06 6.86799358602551e-08 56 7.525326943042993e-08 -3.2177321390130447e-06 -2.7533737297269227e-07 57 8.127162975001491e-10 -3.17610208693655e-06 6.696129194362032e-08 58 2.7650290020397514e-06 1.6552956553523414e-06 -2.6312465045642764e-07 59 2.8044505210431224e-06 -1.5575024253946383e-06 2.660900968042952e-07 60 -2.7915210331897106e-06 -1.5702618891176748e-06 -1.9783988241458499e-07