LAMMPS data file via write_data, version 2 Aug 2023, timestep = 1251, units = metal 36 atoms 3 atom types 12 bonds 1 bond types 0.006047426207706021 2.9804450737922967 xlo xhi 0.005237218289377471 2.581141154922323 ylo yhi 0.06045409363449847 29.60348090636542 zlo zhi -1.4872112590493802 -5.148910816685035e-09 -1.1437039277031585e-09 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 3 0 1 2 -1.4809819579900823 2.581140837649849 7.446211384153679 0 -1 0 5 0 1 2 0.0060994181346992055 1.7225068227788451 4.950076630564765 0 0 0 8 0 1 2 0.006099340873663188 1.7225068680716935 9.94234309808536 0 0 0 10 0 1 2 1.4932515869968253 0.863871795917852 2.5049235221862056 0 0 0 11 0 1 2 1.4932512730373528 0.863871856295558 12.387495130805677 0 0 0 13 0 2 0.9345 0.006071157375627572 0.005237249299465686 11.165133388930723 0 0 0 16 0 2 0.9345 0.006069957696909334 0.005237376705942816 3.72728493902377 0 0 0 17 0 2 0.9345 0.006042167610036756 1.7225066445325814 1.282662555373811 0 0 0 20 0 2 0.9345 0.006040384395169345 1.7225066964019662 13.609759112042672 0 0 0 22 0 2 0.9345 1.4933722314928843 0.8638720610927035 8.713066967826572 0 0 0 23 0 2 0.9345 1.4933721904453408 0.8638720415746116 6.179353157258216 0 0 0 25 0 3 -2.9345 0.006071156312922695 0.005237249247993934 11.165133363376714 0 0 0 28 0 3 -2.9345 0.006069959643651884 0.005237376683684616 3.7272849573963174 0 0 0 29 0 3 -2.9345 0.006042167659541483 1.7225066442608317 1.2826625934344806 0 0 0 32 0 3 -2.9345 0.006040382411160504 1.722506698076134 13.609759084101281 0 0 0 34 0 3 -2.9345 1.4933717533465232 0.8638720628379853 8.715112959175134 0 0 0 35 0 3 -2.9345 1.4933716698032171 0.8638720450302317 6.177307753379441 0 0 0 1 0 1 2 1.4932338703459949 2.5811408648593455 0.060455106484320856 -1 -1 0 2 0 1 2 2.9804447480505587 0.005237244383609056 14.831967997884547 -1 0 0 4 0 1 2 2.980263031673415 0.005237577296037514 22.21772420068947 -1 0 0 6 0 1 2 1.493181247687798 0.8638716204724397 19.721591579004475 0 0 0 7 0 1 2 1.4931808860497457 0.8638716875233858 24.713854908995092 0 0 0 9 0 1 2 0.006029046221784221 1.7225065945845854 17.276439831492194 0 0 0 12 0 1 2 0.006028925695865329 1.7225064199068147 27.15900875532063 0 0 0 14 0 2 0.9345 2.980420702724922 0.00523784178124591 25.936648912307675 -1 0 0 15 0 2 0.9345 2.980418081145787 0.005237451626785611 18.498797005376964 -1 0 0 18 0 2 0.9345 1.4932387889519436 0.863871959820593 16.054170725386136 0 0 0 19 0 2 0.9345 1.493240768942767 0.8638705648435272 28.381276083604345 0 0 0 21 0 2 0.9345 0.005908624629196722 1.7225063770278801 23.484579788699865 0 0 0 24 0 2 0.9345 0.005908811142515764 1.7225063865081167 20.950865992796338 0 0 0 26 0 3 -2.9345 2.9804206994964177 0.005237841758152512 25.936648875773347 -1 0 0 27 0 3 -2.9345 2.9804181470576845 0.005237453648162333 18.498796968496094 -1 0 0 30 0 3 -2.9345 1.4932387886518919 0.8638719598677259 16.0541707773429 0 0 0 31 0 3 -2.9345 1.4932407703529427 0.8638705647698176 28.381276046292825 0 0 0 33 0 3 -2.9345 0.005909162393554916 1.7225063736732922 23.486625654241383 0 0 0 36 0 3 -2.9345 0.005909213483472838 1.722506381619613 20.948820721701257 0 0 0 Velocities 3 -4.796529035097993e-05 4.86420675186365e-07 -2.8589680321074505e-06 5 1.5337997553472337e-05 -1.6850861514265136e-07 0.00043088171815440995 8 1.5952787355487993e-05 -3.3514306893246446e-07 -0.0004272548256945896 10 5.7567116413675704e-06 2.0462847345261387e-07 0.00023958189561192134 11 5.792671257943161e-06 4.330002923521587e-08 -0.0002268776076348022 13 1.068148277687863e-06 -1.4511829164320446e-08 -0.00025665080276739865 16 1.5306343488678868e-05 -1.4591170601256696e-07 0.00023755957581338345 17 6.634795140751866e-07 -1.3517479564214504e-06 7.322410677342921e-05 20 -8.707366827094489e-06 8.531230084880397e-06 -4.257293699284045e-05 22 -1.407491793028381e-05 -1.06358301898308e-07 -0.0003822736162806199 23 -1.4544589979796098e-05 -7.912499355268686e-08 0.00039344201671106957 25 4.221517709232949e-05 3.427546408951465e-07 -0.000512876002708531 28 5.508637312675937e-06 1.7366731680318748e-07 0.0005845321046613903 29 6.057394126009292e-06 2.7701985032700946e-06 0.0001631474667987253 32 3.736859675505964e-05 -2.4424494668030396e-05 -0.0002878115232697685 34 -1.1908562675525526e-05 3.5783402278327916e-07 -0.00031999553806248834 35 -1.0600664844311684e-05 -2.481728804845312e-07 0.0002798683398668 1 6.213775021093404e-07 -2.820849779431609e-07 8.047378258437513e-06 2 -5.985618698075068e-07 1.9620868423013642e-07 -1.68186258439815e-05 4 4.792870050365809e-05 -3.692508664974389e-07 -2.9905183990106454e-06 6 -1.6681973012235855e-05 3.5227383488415586e-07 0.0004156323258333435 7 -1.5469816402928216e-05 4.048155117900381e-07 -0.00041325621721436116 9 -7.2518536254717505e-06 4.099249489023611e-08 0.00020105314237391523 12 -5.1964361054582574e-06 -2.168179064447891e-07 -0.00021027745542161175 14 -1.957928370240847e-05 -7.226233321784566e-07 -0.00029487611760757186 15 0.00033547941765814414 9.987891532999487e-06 -6.475933709014354e-05 18 -1.8184135603133743e-06 1.9784124589668164e-07 0.00011788504742575729 19 5.254211013205687e-06 5.575797008147461e-07 -7.388105827514276e-05 21 1.4725421408135694e-05 9.904770645353337e-08 -0.000383525345843043 24 1.2816205321816863e-05 1.000868516965957e-07 0.0003939501974770333 26 1.1099096361370394e-05 -2.5907721894301097e-07 -0.00046943398846086194 27 -0.0009706079558780634 -2.859786387442416e-05 0.0015001372196687362 30 -3.915484123632502e-06 -1.225882556179081e-06 0.00016647547325540873 31 -2.8650769695361675e-05 1.938210819161472e-06 -0.00027393795600652213 33 9.384637312981187e-06 -6.223853259086959e-08 -0.00032458534012945694 36 1.4026560869625318e-05 2.7198607976728766e-07 0.00029668614067011553 Bonds 1 1 13 25 2 1 16 28 3 1 17 29 4 1 20 32 5 1 22 34 6 1 23 35 7 1 14 26 8 1 15 27 9 1 18 30 10 1 19 31 11 1 21 33 12 1 24 36