LAMMPS data file via write_data, version 2 Aug 2023, timestep = 163, units = metal 72 atoms 3 atom types 24 bonds 1 bond types 0.06598296108427369 21.438355038915805 xlo xhi 0.011352632481469765 6.123319867518528 ylo yhi 0.007181744446456265 4.189628755553544 zlo zhi -4.706869043411938e-10 -4.852336714329831e-15 -4.13413977451821e-15 xy xz yz Atom Type Labels 1 Mg 2 OC 3 OS Bond Type Labels 1 OC-OS Masses 1 24.305 2 14.639 3 1.36 Pair Coeffs # born/coul/long/cs 1 0 1 0 0 0 2 0 1 0 0 0 3 22764.5 0.149 0 20.37 0 Bond Coeffs # harmonic 1 51.71 0 Atoms # full 1 0 1 2 20.42104267427886 5.094619172409641 0.007181744446456272 0 0 0 2 0 1 2 1.083295339209707 1.0400533326494723 4.189628755553543 0 0 -1 3 0 1 2 11.769481344580838 2.03863553870883 4.189628755553542 0 0 -1 4 0 1 2 9.73485663328707 4.096036960985456 0.007181744446456748 0 0 0 5 0 1 2 9.734856624318093 2.0386355348897327 2.0984052500000003 0 0 0 6 0 1 2 11.769481352569873 4.096036946593278 2.0984052499999986 0 0 0 7 0 1 2 1.0832953348479062 5.094619180396005 2.0984052499999994 0 0 0 8 0 1 2 20.421042674489723 1.0400533275920962 2.09840525 0 0 0 9 0 1 2 16.963026330250077 5.11207426758813 4.189628755553543 0 0 -1 10 0 1 2 4.541311677176919 1.022598243257576 4.189628755553543 0 0 -1 11 0 1 2 15.22749771410285 2.056090641742049 4.189628755553543 0 0 -1 12 0 1 2 6.276840282265033 4.0785818391455955 4.189628755553543 0 0 -1 13 0 1 2 6.276840298354363 2.0560906554563205 2.09840525 0 0 0 14 0 1 2 15.2274977095682 4.078581840176218 2.098405249999999 0 0 0 15 0 1 2 4.541311678780914 5.112074271628697 2.09840525 0 0 0 16 0 1 2 16.96302632385004 1.0225982323316039 2.0984052499999994 0 0 0 17 0 1 2 8.017069426401722 1.020937990042117 0.00718174444645677 0 0 0 18 0 1 2 13.487268577871463 5.1137345084518335 4.189628755553543 0 0 -1 19 0 1 2 2.801082524228085 4.076921631634512 0.007181744446456265 0 0 0 20 0 1 2 18.70325548594463 2.057750885467002 0.007181744446456283 0 0 0 21 0 1 2 18.70325545780147 4.076921617440843 2.0984052500000008 0 0 0 22 0 1 2 2.8010825240954174 2.0577508985314887 2.09840525 0 0 0 23 0 1 2 13.48726853948683 1.0209380066805016 2.098405249999998 0 0 0 24 0 1 2 8.017069406600502 5.113734484695357 2.0984052500000003 0 0 0 25 0 2 0.9345 18.70085713716403 4.0753143017795646 0.007181744446456321 0 0 0 26 0 2 0.9345 2.8034808660314265 2.059358218402827 4.189628755553543 0 0 -1 27 0 2 0.9345 13.489666894058686 1.0193306684899939 4.189628755553542 0 0 -1 28 0 2 0.9345 8.014671099507511 5.115341817718747 0.007181744446456631 0 0 0 29 0 2 0.9345 8.0146710888125 1.01933067824524 2.0984052500000008 0 0 0 30 0 2 0.9345 13.489666901500705 5.115341822215503 2.0984052499999994 0 0 0 31 0 2 0.9345 2.803480857997507 4.07531430017936 2.09840525 0 0 0 32 0 2 0.9345 18.70085713208185 2.059358226043827 2.09840525 0 0 0 33 0 2 0.9345 9.735894000715616 2.0286880156757503 0.007181744446456826 0 0 0 34 0 2 0.9345 11.768443973719283 4.105984479046858 4.189628755553543 0 0 -1 35 0 2 0.9345 1.082257964230336 5.084671672167997 4.189628755553543 0 0 -1 36 0 2 0.9345 20.422080050656437 1.0500008397280585 0.0071817444464566055 0 0 0 37 0 2 0.9345 20.42208005915885 5.084671655688667 2.09840525 0 0 0 38 0 2 0.9345 1.0822579565273083 1.050000853486221 2.0984052499999994 0 0 0 39 0 2 0.9345 11.768443973780743 2.028688029907538 2.0984052499999972 0 0 0 40 0 2 0.9345 9.735893992740241 4.105984457240552 2.09840525 0 0 0 41 0 2 0.9345 6.277179911367927 2.0564884749502332 0.007181744446456265 0 0 0 42 0 2 0.9345 15.227158104021738 4.078184035018685 4.189628755553543 0 0 -1 43 0 2 0.9345 4.5409720528784865 5.112472065165403 0.007181744446456357 0 0 0 44 0 2 0.9345 16.96336596938703 1.0222004033417196 4.189628755553543 0 0 -1 45 0 2 0.9345 16.963365933827006 5.112472081932492 2.098405249999998 0 0 0 46 0 2 0.9345 4.540972071557574 1.0222004256370876 2.098405249999999 0 0 0 47 0 2 0.9345 15.227158076522386 2.0564884759141493 2.098405249999998 0 0 0 48 0 2 0.9345 6.277179910624702 4.0781840386210595 2.0984052499999986 0 0 0 49 0 3 -2.9345 18.702793046112593 4.076462135308438 0.007181744446456364 0 0 0 50 0 3 -2.9345 2.8015449537511206 2.058210386149329 4.189628755553543 0 0 -1 51 0 3 -2.9345 13.48773098414721 1.0204785012077238 4.189628755553542 0 0 -1 52 0 3 -2.9345 8.01660700888233 5.114193986177418 0.007181744446456604 0 0 0 53 0 3 -2.9345 8.016606998658741 1.0204785099678628 2.0984052500000008 0 0 0 54 0 3 -2.9345 13.487730992455264 5.114193990852863 2.0984052499999994 0 0 0 55 0 3 -2.9345 2.801544946826251 4.076462133819098 2.09840525 0 0 0 56 0 3 -2.9345 18.702793043400153 2.058210393581911 2.0984052499999994 0 0 0 57 0 3 -2.9345 9.73609402178577 2.036342223496715 0.007181744446456731 0 0 0 58 0 3 -2.9345 11.76824395461028 4.098330269383792 4.189628755553543 0 0 -1 59 0 3 -2.9345 1.0820579440978098 5.092325883422775 4.189628755553543 0 0 -1 60 0 3 -2.9345 20.422280071650274 1.0423466287653091 0.007181744446456537 0 0 0 61 0 3 -2.9345 20.42228007925212 5.092325869679139 2.0984052500000003 0 0 0 62 0 3 -2.9345 1.0820579380679642 1.042346641123882 2.09840525 0 0 0 63 0 3 -2.9345 11.768243954823138 2.036342239433863 2.0984052499999972 0 0 0 64 0 3 -2.9345 9.736094014134611 4.098330249273314 2.09840525 0 0 0 65 0 3 -2.9345 6.27689702826216 2.0559445927100337 0.007181744446456301 0 0 0 66 0 3 -2.9345 15.227440988174722 4.078727919084006 4.189628755553543 0 0 -1 67 0 3 -2.9345 4.5412549355766245 5.111928183685487 0.007181744446456397 0 0 0 68 0 3 -2.9345 16.963083086038534 1.022744286378448 4.189628755553543 0 0 -1 69 0 3 -2.9345 16.963083053050262 5.111928197408584 2.0984052499999986 0 0 0 70 0 3 -2.9345 4.541254955420465 1.0227443113330004 2.098405249999999 0 0 0 71 0 3 -2.9345 15.22744095622633 2.0559445918508334 2.098405249999998 0 0 0 72 0 3 -2.9345 6.276897028563851 4.078727921538921 2.098405249999999 0 0 0 Velocities 1 -0.002133207687432885 0.0027686434349865514 4.180793424738222e-15 2 0.002131261475220713 -0.002768787192687474 3.035474888985819e-14 3 0.0021339972914098003 0.0027679495043886294 -6.583141832204449e-14 4 -0.0021331459076283335 -0.002768505647937612 -5.854836413798984e-14 5 -0.002132299818583581 0.002769138351282506 -4.668165400355007e-14 6 0.0021318203516560914 -0.0027671042530788247 5.349180087848827e-14 7 0.0021324881290739543 0.0027689235701904256 6.182296919701434e-14 8 -0.0021323731905783117 -0.0027699166842735804 1.1557147932610614e-15 9 -0.0013073414593732554 0.007190834631620701 -8.063593525244187e-14 10 0.001307216156585932 -0.007192604475881125 -1.704062106175536e-14 11 0.001306128682916955 0.007190781772478484 -1.2713575027978124e-13 12 -0.0013070540080669629 -0.007189514830202265 -2.3669518046652628e-14 13 -0.0013073280890368013 0.007189107859883377 2.709060419040305e-14 14 0.0013059769517376127 -0.007190263920726479 1.2525992346987848e-14 15 0.0013060095824670923 0.007189981820064665 5.0758859574870104e-14 16 -0.0013051857093552622 -0.0071907397869384135 -5.318209930221273e-14 17 0.00466348312514806 -0.0052173190217594525 -8.841064489895226e-15 18 -0.0046650377117742215 0.005215644941531068 -1.0077455786653774e-13 19 -0.004664019646979723 -0.005216228841363555 -8.713656340829058e-15 20 0.004663819883596294 0.005215910562415357 -3.3229479144350836e-14 21 0.004664890399428158 -0.005216336487377468 -1.6099390127337825e-13 22 -0.004664147355398842 0.005216442977761741 -4.2580394919552254e-14 23 -0.004663257895085411 -0.005216658927376831 5.747996007358037e-14 24 0.004666690205933695 0.005218994969953341 -2.1849709832925222e-14 25 -0.0009470674177573439 0.0009655839869603856 4.163411023155011e-14 26 0.000945351931105365 -0.0009654379990997225 -4.509928730157796e-14 27 0.0009474244250009341 0.0009663519373212141 -4.2324600043949216e-14 28 -0.0009479007233867008 -0.0009660589030077184 3.1055289784912246e-15 29 -0.000947592302766536 0.0009657286216498441 -1.5264999628390147e-14 30 0.0009460095035547333 -0.0009653477521587011 1.5101034105617223e-14 31 0.0009473982175854796 0.0009666336259848913 -3.0941253096789854e-15 32 -0.0009466415347554334 -0.0009672287966587227 -2.333459018508843e-13 33 0.0008348305030228776 -0.00455993401746495 -5.228498332484419e-14 34 -0.0008339833752699284 0.004560429126900598 -3.990625027070594e-14 35 -0.0008350925273947987 -0.004559402156590506 2.0543777487203135e-14 36 0.0008361736856512855 0.004559307867860389 -3.2190608669737725e-14 37 0.0008342035921401445 -0.004559608380091961 1.8613688450506678e-13 38 -0.0008345858934918654 0.004559514456697737 1.6640060059903481e-13 39 -0.0008349539185680527 -0.004560856726180869 -2.864511825635049e-14 40 0.0008346344215950456 0.004560620165789641 -2.494716343025979e-14 41 0.00897309661307147 -0.001772860288372004 1.9217706972818635e-14 42 -0.008972828668253212 0.0017721950761588605 -1.2969906607719274e-14 43 -0.008973168531739916 -0.00177071286939858 -5.047037598572857e-15 44 0.008972854446617794 0.0017731148668850498 -4.018276813398659e-14 45 0.008973017431161455 -0.0017723218788895006 1.646935347629229e-13 46 -0.00897274541960724 0.001772357189420653 -2.055925480920484e-14 47 -0.00897339129497945 -0.0017728571118420732 9.43536537342521e-15 48 0.008972589684621779 0.0017719610416988205 1.7371893090124515e-13 49 -0.0004644202386230025 0.00016908590656734536 3.8838998642082447e-14 50 0.00046347213827055043 -0.00016601481034796448 4.858254216742534e-14 51 0.0004637412319799745 0.00016295584454992782 1.7877459597594013e-13 52 -0.00046472827285140735 -0.00016241431845119637 -7.267900299945019e-14 53 -0.000464512514601606 0.00015938471255320098 3.489691981200324e-13 54 0.0004658087767446787 -0.00016380796635048563 -6.388881844335086e-14 55 0.0004639843716587195 0.00016407101025988803 7.846147855398485e-14 56 -0.00046276431197876455 -0.0001632314565293978 6.953692429726733e-13 57 0.0004539788168303404 -0.0031571644756177917 4.658301237153202e-14 58 -0.00045349210468686454 0.003158430214796093 1.269671969517245e-13 59 -0.0004555735783385432 -0.0031532882941618387 -4.049391587369312e-14 60 0.0004567448266639167 0.00315449540234168 -4.7197158491796384e-14 61 0.0004563171073010183 -0.0031546509872064695 -4.44127961752171e-13 62 -0.00045611848549573534 0.003153748856892439 -4.5216279391580343e-13 63 -0.0004573819176826006 -0.0031579210341992955 4.40522778410697e-13 64 0.0004566646274484198 0.003155696139092697 1.8857137618600687e-13 65 0.006920594527373451 -0.0006746730007954566 -5.5890602830647695e-14 66 -0.006917217316256316 0.0006763154672218641 -1.0024240407376971e-13 67 -0.006919094800018552 -0.0006768750929356915 5.247312790108524e-15 68 0.006922898764115646 0.0006719182635951408 -6.092163964405822e-14 69 0.00691747815022787 -0.000677291721629824 -1.6193531231570837e-13 70 -0.006917569715090306 0.0006778329890831951 8.373308971715064e-14 71 -0.006923040333546084 -0.0006742034004825423 2.1557487092775299e-13 72 0.0069194252657506315 0.000676679976777377 -6.374764956572329e-13 Bonds 1 1 25 49 2 1 26 50 3 1 27 51 4 1 28 52 5 1 29 53 6 1 30 54 7 1 31 55 8 1 32 56 9 1 33 57 10 1 34 58 11 1 35 59 12 1 36 60 13 1 37 61 14 1 38 62 15 1 39 63 16 1 40 64 17 1 41 65 18 1 42 66 19 1 43 67 20 1 44 68 21 1 45 69 22 1 46 70 23 1 47 71 24 1 48 72