LAMMPS data file via write_data, version 2 Aug 2023, timestep = 334, units = metal

72 atoms
3 atom types
24 bonds
1 bond types

0.04741261702591779 14.997734553349083 xlo xhi
0.03416560102807449 8.639008136346902 ylo yhi
0.022557594060008613 5.62502998924344 zlo zhi
-1.1210342603415727e-08 0.006049989308273544 3.0368532758914444e-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

1 0 1 2 10.814085734134206 0.8956671545188006 3.2442734646954126 0 0 0
2 0 1 2 4.2401364096754905 0.8956671599415188 5.20455032264936 0 0 0
3 0 1 2 3.338924758746554 5.198088423751275 3.24427346497968 0 0 0
4 0 1 2 11.715297383551029 5.198088427888504 5.204550318811695 0 0 0
5 0 1 2 4.2371114147809275 7.777506582056562 2.4033141242029155 0 0 0
6 0 1 2 10.811060733306661 7.777506583506416 0.4430372640665289 0 0 0
7 0 1 2 11.712272387963159 3.4750853124039933 2.4033141181218944 0 0 0
8 0 1 2 3.335899761104229 3.475085318392883 0.4430372716356522 0 0 0
9 0 1 2 8.527080446247458 3.421088687154865 3.2305935899123432 0 0 0
10 0 1 2 6.527141694014002 3.421088690556764 5.218230187204943 0 0 0
11 0 1 2 1.0519194772445302 7.723509957386298 3.2305935931917844 0 0 0
12 0 1 2 14.002302671188449 7.72350995416325 5.218230185921595 0 0 0
13 0 1 2 6.524116702677611 5.252085047660787 2.416993987393731 0 0 0
14 0 1 2 8.52405544804069 5.252085056106651 0.4293573889846632 0 0 0
15 0 1 2 13.999277673856486 0.9496637759399388 2.4169939888672562 0 0 0
16 0 1 2 1.0488944885826377 0.9496637825793988 0.4293573990541953 0 0 0
17 0 1 2 9.9272468552991 2.4239412495163735 0.44080199645987717 0 0 0
18 0 1 2 5.120925298591952 2.4239412475276603 2.4055493851838574 0 0 0
19 0 1 2 2.4520858958148826 6.726362526379725 0.44080199967500555 0 0 0
20 0 1 2 12.596086257383073 6.726362519152514 2.40554938709719 0 0 0
21 0 1 2 5.123950280441734 6.249232486878011 5.206785585571944 0 0 0
22 0 1 2 9.930271854715018 6.249232486080838 3.2420381948187527 0 0 0
23 0 1 2 12.599111264935143 1.9468112270322306 5.206785584065031 0 0 0
24 0 1 2 2.455110889571856 1.9468112163679316 3.2420381973253987 0 0 0
25 0 2 0.9345 8.525588186406068 3.414723951033832 5.217935157832418 0 0 0
26 0 2 0.9345 6.528633954110264 3.414723937725848 3.2308886192301216 0 0 0
27 0 2 0.9345 1.0504272309765241 7.7171452193461745 5.217935157220636 0 0 0
28 0 2 0.9345 14.003794922311043 7.7171452031845735 3.2308886200278066 0 0 0
29 0 2 0.9345 6.525608951275889 5.258449793245536 0.4296524227236147 0 0 0
30 0 2 0.9345 8.522563200345019 5.258449794484852 2.416698953875613 0 0 0
31 0 2 0.9345 14.000769929963315 0.9560285250558301 0.4296524200214881 0 0 0
32 0 2 0.9345 1.0474022315026001 0.9560285280084255 2.4166989622202593 0 0 0
33 0 2 0.9345 10.810294586568956 0.8935526269676436 5.2068742069932945 0 0 0
34 0 2 0.9345 4.243927546228657 0.893552622820551 3.241949574944785 0 0 0
35 0 2 0.9345 3.3351336278075876 5.195973896196663 5.206874210826589 0 0 0
36 0 2 0.9345 11.719088519047219 5.195973883736452 3.2419495791183683 0 0 0
37 0 2 0.9345 4.240902550629331 7.7796211159889825 0.4407133782502741 0 0 0
38 0 2 0.9345 10.807269604632289 7.77962111208932 2.4056380116941534 0 0 0
39 0 2 0.9345 11.716063529682131 3.47719985076642 0.44071337827456014 0 0 0
40 0 2 0.9345 3.3321086247821925 3.4771998502728247 2.405638008717228 0 0 0
41 0 2 0.9345 9.92569546532433 2.4174476121891106 2.404146060049174 0 0 0
42 0 2 0.9345 5.1224766833714455 2.4174476206458664 0.44220532992559597 0 0 0
43 0 2 0.9345 2.450534496302695 6.719868884991283 2.4041460615019177 0 0 0
44 0 2 0.9345 12.597637652646405 6.719868890314404 0.4422053236080011 0 0 0
45 0 2 0.9345 5.125501679863204 6.255726122856701 3.243441520929833 0 0 0
46 0 2 0.9345 9.928720461548998 6.255726131323947 5.205382255331601 0 0 0
47 0 2 0.9345 12.600662651969284 1.9533048504445703 3.243441520486181 0 0 0
48 0 2 0.9345 2.453559494818162 1.9533048559297443 5.205382260299615 0 0 0
49 0 3 -2.9345 8.525829733127706 3.4195954923891283 5.216343999359779 0 0 0
50 0 3 -2.9345 6.52839240710716 3.4195954791366114 3.2324797760155217 0 0 0
51 0 3 -2.9345 1.0506687778909216 7.722016759945665 5.216343999661829 0 0 0
52 0 3 -2.9345 14.00355337711156 7.7220167452825415 3.2324797778303984 0 0 0
53 0 3 -2.9345 6.5253674046901935 5.253578251326294 0.4312435804679544 0 0 0
54 0 3 -2.9345 8.52280474713127 5.253578252599001 2.415107796875965 0 0 0
55 0 3 -2.9345 14.000528384038768 0.9511569835409368 0.43124357874897007 0 0 0
56 0 3 -2.9345 1.0476437774756509 0.951156985594989 2.4151078035699105 0 0 0
57 0 3 -2.9345 10.813990706172659 0.8964412386873565 5.205701546746272 0 0 0
58 0 3 -2.9345 4.24023142759215 0.8964412346522135 3.24312223317463 0 0 0
59 0 3 -2.9345 3.338829747053521 5.198862507968313 5.205701551417311 0 0 0
60 0 3 -2.9345 11.715392401686502 5.1988624968680375 3.2431222376774764 0 0 0
61 0 3 -2.9345 4.237206431507041 7.776732504117042 0.44188603681117095 0 0 0
62 0 3 -2.9345 10.810965722737489 7.776732500033568 2.404465354151142 0 0 0
63 0 3 -2.9345 11.712367411495908 3.4743112384767256 0.4418860374922307 0 0 0
64 0 3 -2.9345 3.3358047432474125 3.4743112388667425 2.404465351000852 0 0 0
65 0 3 -2.9345 9.930926565152554 2.4225903824501565 2.4031709193620934 0 0 0
66 0 3 -2.9345 5.117245584691739 2.4225903896284624 0.4431804719381956 0 0 0
67 0 3 -2.9345 2.455765595179077 6.725011654311792 2.403170922819138 0 0 0
68 0 3 -2.9345 12.592406554281133 6.72501165915482 0.4431804626621894 0 0 0
69 0 3 -2.9345 5.120270581016312 6.250583353441597 3.2444166603035427 0 0 0
70 0 3 -2.9345 9.933951560319375 6.250583362146294 5.20440711716949 0 0 0
71 0 3 -2.9345 12.59543155255306 1.9481620817992102 3.2444166607193723 0 0 0
72 0 3 -2.9345 2.45879059335399 1.948162086411602 5.204407121372887 0 0 0

Velocities

1 0.0018369951342717041 -0.0024510830524128724 -0.013553589559073995
2 -0.0018364192219676525 -0.002450457585796161 0.013554092582616455
3 0.001837086263196678 -0.002450172194488815 -0.013553199123712818
4 -0.0018371080012001496 -0.002450307354726796 0.013554429484440668
5 -0.0018366031719691189 0.0024507752243911286 0.013553722554007025
6 0.0018364452350931998 0.0024504526468139523 -0.013554496170379168
7 -0.0018371817873471417 0.0024503166853208844 0.013554134819338322
8 0.0018371789851296175 0.002450120595999384 -0.013555040038086219
9 9.952690163075836e-05 0.00047526423664624636 -0.002918610927805514
10 -9.990802850121878e-05 0.0004749425241289563 0.0029186865895494025
11 9.980198479333975e-05 0.0004748241380186858 -0.0029188852053069164
12 -0.00010047028028595309 0.00047505173201510347 0.002919048549335895
13 -0.00010093308538689894 -0.0004744450659794046 0.0029192496281335513
14 9.990640920469498e-05 -0.0004748480206952231 -0.002919211231297271
15 -0.00010020248965662391 -0.0004748853853916459 0.0029190236792619
16 9.992126604224044e-05 -0.00047533425639673837 -0.0029187730078597163
17 0.0012170148618773531 -0.0046072962109665 -0.005152800666027049
18 -0.0012175706950968864 -0.004607288923218632 0.0051524112454023555
19 0.0012168642723684178 -0.004608033468981726 -0.005153502292753593
20 -0.0012181778811706265 -0.004608072355608226 0.005154073322059685
21 -0.001217881364689492 0.004608629578263551 0.005153149287178878
22 0.001217872131803859 0.004608260504225637 -0.005152948578148948
23 -0.0012182782231893498 0.0046078394418026655 0.005153298649987578
24 0.0012180326039886759 0.0046079998629193685 -0.005153691991546098
25 0.0004372853911031934 0.003921802167672574 0.00016255332003792082
26 -0.00043633382598521253 0.003922971103488485 -0.00016255261678013686
27 0.000436973415207659 0.0039226096030107556 0.00016299577590201666
28 -0.0004365474411925649 0.003922329789594102 -0.00016243883034995648
29 -0.0004365704668333243 -0.003922121955932796 -0.00016251091027436764
30 0.00043660068241933983 -0.003922595552276512 0.00016333281047520933
31 -0.00043688456660074886 -0.003923077868974024 -0.00016260672778045323
32 0.00043658570765528617 -0.0039222208201262964 0.0001627263981678331
33 -0.004630786081698363 0.0022912106287635643 -0.009381268095195025
34 0.004630292565205351 0.002291779956237712 0.009380610276034259
35 -0.004630198665387529 0.0022921472430886027 -0.009381137688612595
36 0.004631496957993109 0.002292414084465324 0.009380380872594948
37 0.004630139601446956 -0.0022918299862025537 0.009380479493635619
38 -0.004630783218281852 -0.002292237247674223 -0.009380546343384547
39 0.004631163875561542 -0.00229175430672816 0.009380960553370772
40 -0.004631378805550729 -0.002291966305481512 -0.009380238220787802
41 -0.002701691771366294 0.004233036441037812 -0.0022277491974486995
42 0.0027015938405865712 0.004233201647489305 0.002228554084270092
43 -0.0027013269093915503 0.004233268711763131 -0.0022277352598028374
44 0.0027020051310507674 0.004233184268058857 0.0022281306776846324
45 0.0027015568151304 -0.004232983753760062 0.0022276920119666797
46 -0.0027016963890755664 -0.004232637114367176 -0.002227794902383861
47 0.0027015329800840837 -0.0042330146574131085 0.0022280768589371183
48 -0.002701336417332026 -0.0042329772759462725 -0.002228006237444196
49 0.0008252549603189484 0.003510835996003197 0.0001287653876026974
50 -0.0008259573820875783 0.0035082613616272563 -0.00013074009016153374
51 0.0008223434176401743 0.003509790372030717 0.00012708828508294597
52 -0.0008233289547846143 0.003510868334439472 -0.0001278525884908947
53 -0.0008234616443013755 -0.0035107134648279218 -0.0001272242675911831
54 0.0008244949154666627 -0.003511185121068833 0.00012683511927494748
55 -0.0008235254823934917 -0.003509567504308768 -0.00012721315851510826
56 0.0008228293920890682 -0.0035113181103176845 0.00012644489448474238
57 -0.004772121469665918 0.002100215037339771 -0.008752082875287302
58 0.004777254079916765 0.0020993799577559273 0.00874931625052086
59 -0.004776859059470571 0.0020964623397346873 -0.008751607558859242
60 0.004774532207534964 0.0020990508100740836 0.00874870675567838
61 0.004777667662754023 -0.0020973418828380335 0.008750615865649103
62 -0.004776395937492161 -0.002099184024564436 -0.008749627327795986
63 0.004774314400584427 -0.0021004462685667927 0.008749277005762853
64 -0.004772505211299287 -0.0021000369401658206 -0.008748482326872685
65 -0.0020587355520648434 0.003654041347940303 -0.002052042248398271
66 0.0020603088881947936 0.003653684324307919 0.002052660003214246
67 -0.002058745724200849 0.0036530000090654645 -0.00205170840326159
68 0.0020603866962912343 0.0036533792016185144 0.0020530533880040195
69 0.0020600694934592907 -0.0036534512588215847 0.002053667204368591
70 -0.002061476926527955 -0.0036557243333665695 -0.002051560570380579
71 0.0020588811765296566 -0.003653081996734073 0.0020526556587774575
72 -0.002060627599368743 -0.003652135963153745 -0.0020536658389678445

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