LAMMPS data file via write_data, version 2 Aug 2023, timestep = 267, units = metal

72 atoms
3 atom types
24 bonds
1 bond types

0.09581933301597179 25.34768799623404 xlo xhi
0.01171221168538038 3.446414939939623 ylo yhi
0.024744886950775594 7.498152083257158 zlo zhi
-0.00020475734117826608 0.5220206719274956 -5.375876098783261e-07 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 8.49295748833131 3.4464129545351936 6.953458348160243 0 -1 0
3 0 1 2 1.3498906303521887 0.011726215368298829 6.362184192861263 0 0 0
5 0 1 2 11.50994521467059 3.446405129066627 7.083516835739276 0 -1 0
8 0 1 2 9.490798980347314 1.7290438880782895 4.865791014141138 0 0 0
10 0 1 2 1.9630009219970739 1.7290452716686266 4.188873930991742 0 0 0
12 0 1 2 6.5589906374636335 1.7290583649680527 4.845443384566086 0 0 0
14 0 1 2 2.2004358294370805 1.7291052017818727 1.3675563760075617 0 0 0
16 0 1 2 9.637578292418546 1.7290895140777047 1.8627901491310972 0 0 0
18 0 1 2 12.564932631927807 1.7290481493768894 1.9705285535505375 0 0 0
19 0 1 2 11.714973707456735 0.011734465472475315 4.184862248402302 0 0 0
21 0 1 2 7.505081274080474 3.4463910785322454 2.7994244763614997 0 -1 0
23 0 1 2 4.094775668719601 0.011747332390808211 3.514704179321521 0 0 0
26 0 2 0.9345 0.5734597894799786 1.7290815135872144 2.7592390788560666 0 0 0
28 0 2 0.9345 8.113956036372212 1.729079990193077 3.428525815961464 0 0 0
30 0 2 0.9345 11.18138790599604 1.7290705664144497 0.5401862453607079 0 0 0
32 0 2 0.9345 3.532243777486986 1.7290679949775154 2.7556136250696133 0 0 0
34 0 2 0.9345 10.973104865235218 1.7290448714930802 3.434720858720666 0 0 0
36 0 2 0.9345 7.850332399756821 1.729028350649531 6.269482302845095 0 0 0
37 0 2 0.9345 8.719501600248055 3.4464019826726875 1.2542000322586153 0 -1 0
39 0 2 0.9345 1.5763623015418828 0.011715389816898592 0.6667598132938187 0 0 0
41 0 2 0.9345 2.5871201194477607 0.011733831749133412 4.839637011121141 0 0 0
43 0 2 0.9345 10.127297288301147 0.011726860216279424 5.655935821316737 0 0 0
45 0 2 0.9345 5.961076239340309 3.4463831308645276 4.09816501958988 0 -1 0
50 0 3 -2.9345 0.5718466381856102 1.7290803298983308 2.76171115940689 0 0 0
52 0 3 -2.9345 8.107479174854191 1.7290784718067977 3.428589616036695 0 0 0
54 0 3 -2.9345 11.177714760198445 1.7290709471239243 0.545877110323136 0 0 0
56 0 3 -2.9345 3.513006066724989 1.7290712893298665 2.7659213856668097 0 0 0
58 0 3 -2.9345 10.973393360049897 1.729046269598426 3.441907527867162 0 0 0
60 0 3 -2.9345 7.85878656592381 1.7290290878050163 6.255254818233347 0 0 0
61 0 3 -2.9345 8.709844724468557 3.4464045043639295 1.2589839593571606 0 -1 0
63 0 3 -2.9345 1.567804994223606 0.01171785909695452 0.6695661977785441 0 0 0
65 0 3 -2.9345 2.566280453792132 0.011733531110316766 4.82388579740944 0 0 0
67 0 3 -2.9345 10.124914385362935 0.011725075565883545 5.656471842490469 0 0 0
69 0 3 -2.9345 5.968818916903167 3.446385112780627 4.095610733075221 0 -1 0
2 0 1 2 21.11899403487762 1.7290615851376283 6.953458355413712 0 0 0
4 0 1 2 13.975722710025607 1.7290775611942888 6.36218418563869 0 0 0
6 0 1 2 24.135981789783234 1.7290537756176052 7.083516854888456 0 0 0
7 0 1 2 22.116630836364322 3.446395238581972 4.865791032216651 0 -1 0
9 0 1 2 14.588832962012905 3.4463966099637355 4.1888739430747695 0 -1 0
11 0 1 2 19.184822506995403 3.4464097322979264 4.8454433510169626 0 -1 0
13 0 1 2 14.826472629169235 0.011753849030667254 1.3675563764945773 0 0 0
15 0 1 2 22.26361488076664 0.011738159909584333 1.8627901625408507 0 0 0
17 0 1 2 25.190764480259137 3.446399495560706 1.970528554492363 0 -1 0
20 0 1 2 24.340805542693108 1.729085811637016 4.184862270374262 0 0 0
22 0 1 2 20.131117931729 1.7290397264492479 2.79942446701894 0 0 0
24 0 1 2 16.720607663083527 1.729098679926475 3.5147041522401516 0 0 0
25 0 2 0.9345 13.199496624481824 0.011730172294529677 2.7592390641161098 0 0 0
27 0 2 0.9345 20.739992679945875 0.011728654400114393 3.4285258027700127 0 0 0
29 0 2 0.9345 23.80742449260844 0.011719220868459364 0.540186261586775 0 0 0
31 0 2 0.9345 16.158280558884773 0.011716604177032247 2.7556136115254315 0 0 0
33 0 2 0.9345 23.59893669595457 3.446396235515222 3.4347208873544317 0 -1 0
35 0 2 0.9345 20.476164205080313 3.446379707330208 6.269482313217631 0 -1 0
38 0 2 0.9345 21.345538198535557 1.7290506397802927 1.2542000144584815 0 0 0
40 0 2 0.9345 14.202194362352525 1.7290667697397024 0.666759799455815 0 0 0
42 0 2 0.9345 15.212952171761412 1.729085182323142 4.839637012838792 0 0 0
44 0 2 0.9345 22.753129123070682 1.7290782075817508 5.655935843448982 0 0 0
46 0 2 0.9345 18.58711291665526 1.7290317732618665 4.098165006887386 0 0 0
47 0 2 0.9345 13.052393341802727 3.4463918799439703 5.760216450747112 0 -1 0
48 0 2 0.9345 25.67842993046068 1.729040534490995 5.760216468242836 0 0 0
49 0 3 -2.9345 13.197883477310317 0.011728982591753805 2.7617111427007774 0 0 0
51 0 3 -2.9345 20.733515811220997 0.011727132149186503 3.42858960965253 0 0 0
53 0 3 -2.9345 23.80375135682959 0.011719596043804455 0.5458771273910242 0 0 0
55 0 3 -2.9345 16.139042845065646 0.011719901367008219 2.765921379052965 0 0 0
57 0 3 -2.9345 23.59922518759859 3.446397627762013 3.4419075636166387 0 -1 0
59 0 3 -2.9345 20.4846183600269 3.4463804422906605 6.255254833380388 0 -1 0
62 0 3 -2.9345 21.335881319828804 1.7290531615438973 1.2589839515163408 0 0 0
64 0 3 -2.9345 14.19363704727359 1.729069237223111 0.6695661795753585 0 0 0
66 0 3 -2.9345 15.19211252260203 1.7290848779221424 4.823885791324403 0 0 0
68 0 3 -2.9345 22.75074621192065 1.7290764215508354 5.656471866965038 0 0 0
70 0 3 -2.9345 18.594855599418164 1.7290337678047536 4.095610713872355 0 0 0
71 0 3 -2.9345 13.050982160777853 3.4463945834139484 5.7637093123415895 0 -1 0
72 0 3 -2.9345 25.677018759650636 1.7290432354346894 5.763709330317484 0 0 0

Velocities

1 0.011216597919965864 -0.0011695382212277645 -0.0279396245876108
3 -0.01573883418350235 0.0008495757230487903 0.02198064176227574
5 0.00399345454158529 -0.00043613943389529507 0.018018107526271754
8 0.015462355165238651 -0.0009543617863995539 -0.004556996422738233
10 -0.013657693109043944 0.00024163925751985088 0.02448366297835539
12 0.019847856780778595 -0.0013241937374892394 -0.048800513382657944
14 -0.023931337138315995 0.002907192705171647 0.028707644730204544
16 -0.004922132281281544 0.0018793915919382547 -0.012657763231046148
18 -0.010821447852112776 -0.000402187748301716 0.02571625015061033
19 -0.006972773568555198 0.0012623771006314802 0.010566003732279922
21 0.018262887662637662 -0.0004166358874605198 -0.023836938545513945
23 -0.013491356374719267 0.0022505965812859856 0.009347117943817058
26 -0.019642739796115867 0.001180593607209683 0.009949253637319171
28 0.013346354772622875 0.00035491358383228286 -0.0336452039446573
30 -0.0037982912794616124 0.0003729933514654305 0.0015437237769857933
32 -0.019450092518244096 0.0011798759609644265 0.03780852997438745
34 0.008090063323209 -0.0012237640646455478 0.009472993515338514
36 0.024522071415551034 -0.0027283033872583153 -0.0388172272771034
37 0.01359056655772428 -0.0008362236354628122 -0.021236569224481142
39 -0.00884074307976268 0.0011471905379218492 0.028013445764789372
41 -0.025806449391598964 0.0010389736177694856 0.007929983109919006
43 0.01219428826736375 0.0008329157039194326 -0.012447008347583765
45 0.012595527780710915 -0.002455382724860478 -0.02840820107501914
50 -0.020191869714260204 0.0012790245824954667 0.01069091279598863
52 0.01316734078142608 0.00025355072759074716 -0.03557525751523497
54 -0.00491199588801489 0.0004132844813866446 0.0022979631282227984
56 -0.01882305408205423 0.0011702183225539334 0.03763934770229518
58 0.007790368517160135 -0.00121661590947436 0.009896528630745171
60 0.025938129201197608 -0.0027541861780998296 -0.03996366050793344
61 0.013517912372687032 -0.0010057624371678255 -0.021904971831253787
63 -0.009352434804958523 0.0010742220695237957 0.029459329071419467
65 -0.02538228064359216 0.0010571611498404083 0.009754098877646606
67 0.011991821683449054 0.0007752622692310456 -0.013210960733264051
69 0.01437486258902176 -0.0023238652494794792 -0.028967201723719155
2 0.011223583956273289 -0.001168064475865606 -0.027935906354586343
4 -0.015746974542003196 0.0008518001440224681 0.021982886068272183
6 0.003994215318154366 -0.0004351336216792645 0.01801677466638142
7 0.015464537507734818 -0.0009570124075435014 -0.004563738556275746
9 -0.013653741122970225 0.00023897268389210327 0.024484719018207403
11 0.019845864525806278 -0.0013266593809075865 -0.04880181850305176
13 -0.02392581648843895 0.002903531785249644 0.028713103489247854
15 -0.004927817650995382 0.0018818519559118138 -0.01265690727371539
17 -0.010827067169669318 -0.0004025577987941066 0.025719293708343218
20 -0.006968832369837485 0.0012665812016342058 0.010559530939627903
22 0.018261171447397737 -0.0004199435976319479 -0.023836680619533715
24 -0.013491765978632709 0.0022513556220460132 0.00934676540427203
25 -0.019632744612425215 0.0011856300629531566 0.009945755836560852
27 0.01334077739295481 0.00035864467861566565 -0.03365178880280003
29 -0.0037997373050351765 0.0003671858079329739 0.0015469072513753397
31 -0.019451284353225212 0.0011803269263378359 0.03780701696695095
33 0.008098607499751755 -0.0012179802339541362 0.009468785182953498
35 0.024527489562980738 -0.002737271085318879 -0.038809107239794846
38 0.013593233981968 -0.0008361212744044497 -0.021233317219277546
40 -0.008844606660144418 0.0011464964382209304 0.028009098440636586
42 -0.025810763563704736 0.0010383427946998695 0.007925672859087409
44 0.012190396454698197 0.0008323711909461376 -0.012448270521328658
46 0.012593643796457962 -0.002451575775231468 -0.028413155778897962
47 0.006074484437063918 -0.0017716267197997228 0.025973325748257597
48 0.00608152768920222 -0.001771987127145294 0.025972699850661318
49 -0.020195655877863292 0.0012744884803526635 0.010689910324365594
51 0.013164189327229849 0.00026062844050719637 -0.03556584458534024
53 -0.004916945297905644 0.0004138616080808182 0.0022915273263219853
55 -0.018827829485287398 0.001167789228535364 0.03763686050471095
57 0.007786338189982501 -0.00122430753821597 0.009897849327337503
59 0.025928759796117 -0.002755395112337255 -0.03995717670071335
62 0.013520259452189062 -0.0010039388793590268 -0.021912264041068493
64 -0.009353753932929587 0.001074608663068996 0.029464714265778905
66 -0.025375982086328748 0.0010564159597670393 0.009745392587766973
68 0.011990167915471877 0.0007765322686296341 -0.013214193780537665
70 0.014384966511929392 -0.002318027259463172 -0.028968110745409035
71 0.00545019572704582 -0.0017714941081400134 0.027413108506960524
72 0.005446574921942314 -0.0017733614474778152 0.027417542434554947

Bonds

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