LAMMPS data file via write_data, version 2 Aug 2023, timestep = 3893, units = metal

72 atoms
3 atom types
24 bonds
1 bond types

0.00600667376020998 2.9745672179897933 xlo xhi
0.005199640678654155 2.576053067433499 ylo yhi
0.1605306112622249 59.490021396112965 zlo zhi
-1.4863783987232297 1.2932406701764735e-05 -3.114760763919938e-08 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 2.9745669589549886 0.00519983935348463 0.16053637372270632 -1 0 0
6 0 1 2 0.004610096588950913 1.719101919192925 10.048780141280933 0 0 0
8 0 1 2 -1.4798313697565733 2.576050334453779 7.551450778761954 0 -1 0
16 0 1 2 1.48967761683298 0.8621506014766346 2.6073273603824565 0 0 0
23 0 1 2 0.004910014109673337 1.7190997511028694 5.054557402491099 0 0 0
30 0 2 0.9345 0.004642486064649598 1.7191024510733293 1.3839207740121624 0 0 0
32 0 2 0.9345 -1.4801977333983412 2.5760523148928605 3.830779188454856 0 -1 0
38 0 2 0.9345 2.9742618932366574 0.00520090369135276 11.279225138824456 -1 0 0
39 0 2 0.9345 1.4898972531798786 0.8621495098011484 8.818334848749801 0 0 0
45 0 2 0.9345 1.4900907493364535 0.8621488469485654 6.284620509985698 0 0 0
54 0 3 -2.9345 0.004642490780253689 1.7191024499438288 1.383920776892768 0 0 0
56 0 3 -2.9345 -1.4801976936894865 2.5760523147921006 3.830779131067227 0 -1 0
62 0 3 -2.9345 2.974255758238123 0.005200831213043522 11.277171741629354 -1 0 0
63 0 3 -2.9345 1.4899033886696122 0.86214958024249 8.820388156861057 0 0 0
69 0 3 -2.9345 1.4901034714484587 0.8621489125594194 6.2825634235708225 0 0 0
2 0 1 2 1.489591199982681 0.8621510185244393 19.93703049110311 0 0 0
9 0 1 2 1.4890515479417623 0.8621535272364697 12.54610992705363 0 0 0
13 0 1 2 2.974481133247646 0.005199954439105445 17.4902345016431 -1 0 0
18 0 1 2 0.004702237230282708 1.719101816844799 22.383823572374695 0 0 0
24 0 1 2 0.004310202851341616 1.7191041489916612 15.043002279995715 0 0 0
26 0 2 0.9345 0.006045345385885522 0.0052001587789112305 21.160416349912847 0 0 0
29 0 2 0.9345 0.004575154626944548 1.71910208859958 18.71364213911316 0 0 0
33 0 2 0.9345 1.4894207870751335 0.8621514833242255 16.266777564390733 0 0 0
34 0 2 0.9345 1.4897650636406297 0.8621498507051927 23.607276613617575 0 0 0
44 0 2 0.9345 2.9740683024418377 0.005201601211256126 13.812940077923278 -1 0 0
50 0 3 -2.9345 0.0060452876881578734 0.005200160783041602 21.16041642839662 0 0 0
53 0 3 -2.9345 0.004575159639241926 1.7191020882529289 18.713642179967753 0 0 0
57 0 3 -2.9345 1.4894207981509717 0.8621514829545576 16.266777694090344 0 0 0
58 0 3 -2.9345 1.489765060706325 0.8621498507132519 23.607276551165437 0 0 0
68 0 3 -2.9345 2.974055599583293 0.005201534015485755 13.814996841079891 -1 0 0
4 0 1 2 1.4881952796223166 2.5760530286289414 29.8252758551529 -1 -1 0
10 0 1 2 1.4901322606495522 0.8621480404943486 27.327946674502684 0 0 0
11 0 1 2 0.004075967147357378 1.71910466849365 32.32260466780763 0 0 0
19 0 1 2 -1.480065048280961 2.57605080987911 24.83105375070132 0 -1 0
20 0 1 2 2.9742718394080834 0.005202044156863078 34.819496847039325 -1 0 0
40 0 2 0.9345 1.4892865447065893 0.8621519890754574 31.05572049874111 0 0 0
41 0 2 0.9345 0.0049218681795525415 1.7191006569871936 28.594830792598284 0 0 0
46 0 2 0.9345 1.4890921342749606 0.8621528380582838 33.589434201097944 0 0 0
47 0 2 0.9345 0.005115623791402324 1.7190999469890875 26.061116366103796 0 0 0
64 0 3 -2.9345 1.4892804162622495 0.8621519151971982 31.053667053927285 0 0 0
65 0 3 -2.9345 0.00492800442837778 1.7191007266556046 28.59688406297187 0 0 0
70 0 3 -2.9345 1.489079396769387 0.8621527770722075 33.59149111800656 0 0 0
71 0 3 -2.9345 0.005128339870702215 1.7191000123903375 26.059059331664763 0 0 0
3 0 1 2 0.004615070765495988 1.7191017588838378 39.71352093834414 0 0 0
12 0 1 2 0.00515691098665336 1.7190991627520233 47.104442570685514 0 0 0
14 0 1 2 -1.48027287145724 2.5760528278875783 42.160314650620606 0 -1 0
15 0 1 2 1.4895032897215257 0.8621510464227891 37.26672760106891 0 0 0
21 0 1 2 1.489898737559229 0.8621485995250322 44.60754757487867 0 0 0
25 0 2 0.9345 1.488158541400534 2.576052698505767 38.490134738521554 -1 -1 0
28 0 2 0.9345 1.4896332484670014 0.8621506814483025 40.93690646824841 0 0 0
35 0 2 0.9345 0.004439836175232514 1.7191031428511154 36.0432727723252 0 0 0
36 0 2 0.9345 0.0047931545666085335 1.719101149780036 43.38376999434861 0 0 0
43 0 2 0.9345 -1.479859780985331 2.5760511096809036 45.83761148933583 0 -1 0
49 0 3 -2.9345 1.488158540366524 2.5760526984838847 38.49013472462009 -1 -1 0
52 0 3 -2.9345 1.4896332538783987 0.8621506812276324 40.936906490614035 0 0 0
59 0 3 -2.9345 0.004439827035355805 1.7191031426187016 36.04327290898749 0 0 0
60 0 3 -2.9345 0.0047931490710866 1.7191011498510451 43.38377002233013 0 0 0
67 0 3 -2.9345 -1.4798470499937486 2.5760511738340353 45.83555439382686 0 -1 0
5 0 1 2 1.4895983247496996 0.8621507659544768 49.601773189446185 0 0 0
7 0 1 2 2.9740397269421157 0.005202417277018247 52.09910389172974 -1 0 0
17 0 1 2 0.004530153450473159 1.7191025530512356 57.043232298794955 0 0 0
22 0 1 2 1.4892978970573212 0.8621532540650296 54.59599823077093 0 0 0
27 0 2 0.9345 1.4895652178096919 0.8621515456865466 58.266644594171964 0 0 0
31 0 2 0.9345 2.974406279398986 0.00520100154285805 55.81977221290146 -1 0 0
37 0 2 0.9345 -1.4800534599631736 2.5760517796194633 48.37132735143281 0 -1 0
42 0 2 0.9345 0.0043111837734606685 1.7191031779012003 50.83221867448811 0 0 0
48 0 2 0.9345 0.004117369823176941 1.719104001526447 53.36593462044792 0 0 0
51 0 3 -2.9345 1.489565247520627 0.8621515463132324 58.26664449213358 0 0 0
55 0 3 -2.9345 2.9744062924536365 0.0052010018108813545 55.819772214975245 -1 0 0
61 0 3 -2.9345 -1.4800473237210767 2.5760518516864996 48.373380616285715 0 -1 0
66 0 3 -2.9345 0.0043050528874498 1.71910310556727 50.83016528727164 0 0 0
72 0 3 -2.9345 0.004104649396506639 1.7191039410755704 53.36799150335367 0 0 0

Velocities

1 -1.4842647476127905e-07 3.073025959028801e-07 6.943208747747716e-06
6 1.0828945086623041e-07 -2.255667261519558e-09 8.205962024294872e-07
8 -2.659618936547223e-05 4.409381940008758e-07 9.560099365639183e-05
16 1.8535668452712763e-05 -5.987857220612098e-08 8.915633930476028e-05
23 2.0787503417955643e-05 -2.2282375882207965e-07 0.00013073143343275356
30 4.4882172775067306e-05 -1.139419205848181e-05 -5.289888136795534e-05
32 0.00016290830670197086 -8.728158204851164e-07 7.345758540961972e-05
38 2.513410762109924e-05 -3.528629822091229e-07 -4.568241753388633e-05
39 -2.515694623711163e-05 3.1467617878993177e-07 4.551527351699446e-05
45 4.433791958738587e-06 2.443532269429975e-07 0.00012301729448135302
54 -0.00011614970118959161 4.097570849895996e-05 0.0003672339613409979
56 -0.000559331519937666 3.0107711832871376e-06 0.0004534903070147995
62 1.797947661679593e-05 -2.4871561912520785e-08 -3.3748613586869704e-05
63 -1.7233748871668926e-05 9.01849881651813e-08 3.103089842810379e-05
69 3.090569292164336e-06 1.912957764177639e-07 8.00495567595312e-05
2 -3.4428944059616937e-07 2.0657566675258686e-07 -4.130326581313825e-06
9 2.653386137514865e-05 -5.057272582477115e-07 -9.498794645293454e-05
13 -1.818140922640888e-05 2.166239049858371e-07 -9.63030984069152e-05
18 1.812730191773075e-05 -2.6599822095742874e-07 9.137336492973852e-05
24 -1.9749960409203473e-05 9.277675712767063e-08 -0.00013339490819229183
26 -0.0002007434432419653 6.683643851217166e-06 0.0002466359874233453
29 3.6161223083351564e-05 -2.429197410377601e-06 0.00035918363382519616
33 4.2676236060070663e-05 -1.1485766871749883e-06 0.0002649489601757465
34 -2.131451660073287e-05 -2.4752919049264105e-07 -9.35184265885057e-05
44 -4.223681335813596e-06 -2.2464130607262114e-07 -0.00012594286430568297
50 0.0008908067268074764 -2.9883336561427367e-05 -0.0008780963970593766
53 -0.00018096183920330493 9.636398328295565e-06 -0.0015141616545770484
57 -0.0002846441533640694 5.920536024029903e-06 -0.0015523713632389952
58 0.00019728042970612404 3.4836924802921106e-07 0.0009651055330179685
68 -4.029512323993825e-06 -6.602163498463325e-08 -8.478133810223367e-05
4 -8.149494408233858e-08 8.935994227432013e-08 3.3836675806368165e-07
10 -2.6464214595192672e-05 5.490105275920648e-07 9.56909898263027e-05
11 2.6382958657058714e-05 -4.170781958024776e-07 -9.465884659770791e-05
19 2.043848992512543e-05 -1.5102292025501615e-07 0.00013241852724918719
20 -2.079257180211655e-05 1.5747722953138444e-07 -0.00013193456930732535
40 2.505390229869892e-05 -3.3931341906788747e-07 -4.624121002791797e-05
41 -2.5015200321382543e-05 2.7913807156763795e-07 4.505223229038552e-05
46 -4.756624706120924e-06 -1.8401986305500564e-07 -0.00012414873434069806
47 4.328659307858201e-06 2.2125817721150107e-07 0.0001235162722452127
64 1.876262923271503e-05 -5.401158739549563e-07 -3.4808105712058454e-05
65 -1.8613581649182357e-05 -3.882232494776754e-07 3.128080771191134e-05
70 -3.5539282683495396e-06 4.478965012350771e-07 -8.421446825481905e-05
71 3.1906212320902784e-06 3.655237475763771e-07 8.19875415427682e-05
3 4.6409791583955914e-07 -9.726142354944887e-08 2.411921754314188e-07
12 -2.65120694317057e-05 5.790569841643564e-07 9.51621551281442e-05
14 2.0268438712609613e-05 -3.327242447972767e-07 9.53855319896278e-05
15 -1.881692378125441e-05 2.703774126168859e-07 -9.190122430553075e-05
21 2.1430481740277166e-05 -2.618543402590809e-07 0.00013532722541373463
25 -6.624896611245027e-06 1.5798467371352904e-07 -1.7871976789656933e-05
28 3.197668292228772e-05 -1.4306956680430145e-06 8.037275388686325e-05
35 -6.152815179660575e-05 -1.3134817786517169e-06 0.0005465942146707827
36 -1.7720010690421828e-05 -1.3406602385470236e-07 0.00042482952331099756
43 4.554323239027648e-06 1.9687328329179633e-07 0.00012271005742954338
49 -1.805371732600298e-05 9.67702904661074e-07 -9.651512156274822e-05
52 -7.417201329664348e-05 5.0040436988502625e-06 -0.00011261328780711438
59 0.00010156192410944023 4.061385595389225e-06 -0.0024162590882197458
60 0.00018049303167818194 -1.5386413769805732e-07 -0.0010433708290209372
67 4.126435080880392e-06 -2.1641751996170165e-07 8.227171757850813e-05
5 -3.0499541089414675e-08 1.2989273809428865e-07 6.985513511035273e-07
7 2.654526428757729e-05 -5.057113120798458e-07 -9.42530647340971e-05
17 -1.8225535670678952e-05 4.0317331529375927e-07 -9.349275486684116e-05
22 -2.0450333932205546e-05 1.7640784234398358e-07 -0.00014132910979844544
27 0.00017168400359263066 3.395751216179195e-06 -0.0005142428349118778
31 7.006229279397836e-05 1.710234441331523e-06 -0.00035091666662825986
37 -2.5094583780501147e-05 4.134418147737343e-07 4.510499898137367e-05
42 2.5199418077753017e-05 -2.8441419489714554e-07 -4.562562549320067e-05
48 -4.441534303191935e-06 -1.5177085291505574e-07 -0.00012444515200675987
51 -0.0006882380120150548 -1.3944119064085133e-05 0.0016417553558118595
55 -0.00036421265234723313 -5.56313961804456e-06 0.000772745273772657
61 -1.847767799432208e-05 6.303320227249546e-08 3.174712433285531e-05
66 1.8034856450025866e-05 -5.701931719580315e-07 -3.488338108689307e-05
72 -3.4634649620840224e-06 -5.610875005101063e-07 -8.434400367076579e-05

Bonds

1 1 30 54
2 1 32 56
3 1 38 62
4 1 39 63
5 1 45 69
6 1 26 50
7 1 29 53
8 1 33 57
9 1 34 58
10 1 44 68
11 1 40 64
12 1 41 65
13 1 46 70
14 1 47 71
15 1 25 49
16 1 28 52
17 1 35 59
18 1 36 60
19 1 43 67
20 1 27 51
21 1 31 55
22 1 37 61
23 1 42 66
24 1 48 72