LAMMPS data file via write_data, version 2 Aug 2023, timestep = 185, units = metal

36 atoms
3 atom types
12 bonds
1 bond types

0.024134277182259 9.611998246317732 xlo xhi
0.020896805095138048 8.324238754489297 ylo yhi
0.00815608230289701 4.154731932447093 zlo zhi
-4.798838021773318 1.5432218860867588e-15 8.275364758792746e-14 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 -0.9710084255014866 3.7829687043381 4.154731932447074 0 0 -1
2 0 1 2 2.054052183568614 5.583748606193226 4.154731932447071 0 0 -1
3 0 1 2 -1.0200767864851028 7.303662894081516 0.008156082304305416 0 0 0
4 0 1 2 5.808302927220116 4.56216685541069 4.154731932447072 0 0 -1
5 0 1 2 2.7832423182296533 2.76138695339833 4.154731932447076 0 0 -1
6 0 1 2 5.857371288334617 1.0414726656011846 4.154731932446942 0 0 -1
7 0 1 2 3.777655702443057 1.0418760721937057 2.0814440073749325 0 0 0
8 0 1 2 3.822265239151927 4.563274262423553 2.081444007374975 0 0 0
9 0 1 2 6.848993478989213 2.761883788672472 2.081444007374918 0 0 0
10 0 1 2 1.0596387991264618 7.3032594873607755 2.081444007374929 0 0 0
11 0 1 2 1.015029262588525 3.781861297340733 2.081444007374982 0 0 0
12 0 1 2 -2.0116989772053713 5.583251770740762 2.0814440073749894 0 0 0
13 0 2 0.9345 3.7699298248930777 1.0391611429300296 4.1547319324470795 0 0 -1
14 0 2 0.9345 6.855121792796514 2.756681507884248 0.008156082302897718 0 0 0
15 0 2 0.9345 3.8237093858772613 4.571368720521365 4.15473193244709 0 0 -1
16 0 2 0.9345 1.0673646768292582 7.305974416608692 4.15473193244708 0 0 -1
17 0 2 0.9345 -2.017827291106309 5.5884540515358525 4.154731932447075 0 0 -1
18 0 2 0.9345 1.0135851159239038 3.7737668391852526 0.008156082302897383 0 0 0
19 0 2 0.9345 -0.9695165844557928 3.7750302884180056 2.081444007374996 0 0 0
20 0 2 0.9345 -1.0277043925320297 7.306422144955522 2.0814440073750693 0 0 0
21 0 2 0.9345 2.060340899269147 5.589105639239203 2.0814440073749925 0 0 0
22 0 2 0.9345 5.806811086213929 4.570105271063415 2.081444007374992 0 0 0
23 0 2 0.9345 5.864998894018869 1.038713414543661 2.0814440073739515 0 0 0
24 0 2 0.9345 2.7769536027094257 2.7560299205759344 2.0814440073749947 0 0 0
25 0 3 -2.9345 3.7759553281304017 1.0401923597256444 0.008156082302959366 0 0 0
26 0 3 -2.9345 6.851192803356955 2.7613266452261236 0.008156082302898604 0 0 0
27 0 3 -2.9345 3.8216456122680045 4.565599158571241 0.008156082302916793 0 0 0
28 0 3 -2.9345 1.06133917361757 7.30494319978018 0.008156082302954415 0 0 0
29 0 3 -2.9345 -2.013898301569584 5.5838089142714775 0.008156082302976646 0 0 0
30 0 3 -2.9345 1.0156488895257487 3.7795364012064203 0.00815608230292168 0 0 0
31 0 3 -2.9345 -0.9716172650893321 3.780745129594041 2.081444007375024 0 0 0
32 0 3 -2.9345 -1.021701699427872 7.305317712070395 2.0814440073751603 0 0 0
33 0 3 -2.9345 2.0564063664009047 5.584401815536881 2.081444007375021 0 0 0
34 0 3 -2.9345 5.808911766843701 4.5643904298753535 2.0814440073750253 0 0 0
35 0 3 -2.9345 5.858996200833291 1.0398178474146158 2.0814440073744613 0 0 0
36 0 3 -2.9345 2.780888135519726 2.7607337441824025 2.081444007375029 0 0 0

Velocities

1 -0.013182964149278798 -0.12001426428262542 -2.543075833110451e-11
2 0.005453804234082782 0.005093277319123803 -2.5834795848977085e-11
3 -0.05031227832005718 0.018337500844533 4.5990432818880863e-10
4 0.013182963836681291 0.12001431013594738 -2.2776986627217444e-11
5 -0.005453802163666186 -0.005093287870831976 -2.189016324806658e-11
6 0.050312317074711704 -0.018337396480846355 -2.0718604341044894e-10
7 -0.052616078589671274 -0.042846839993976184 -7.417741322370016e-11
8 0.011613526785533462 0.00014390705073698647 -2.0790853209916495e-11
9 0.0992884832227414 -0.053632782096543055 -9.490863627937489e-11
10 0.052616064503665655 0.04284679612425554 -7.820977711962898e-11
11 -0.01161351940482455 -0.0001439141291860604 -1.6291165662532447e-11
12 -0.0992884595670414 0.053632856516492175 -8.398904105293704e-13
13 -0.044397244882310546 -0.0419974876121576 -9.957365315150614e-12
14 0.0977313909661417 -0.07664403248310782 1.6644366702006347e-12
15 0.017614461148107607 0.018811701307343023 4.1018863358960284e-12
16 0.044397240417223746 0.04199741060790447 -8.171183683634549e-12
17 -0.09773148802923719 0.07664391573476118 -1.0288985652619728e-11
18 -0.017614464451107984 -0.018811740673085012 4.049675491476436e-12
19 -0.003700420092433394 -0.11542339112291448 6.511891484659877e-12
20 -0.0785441966509306 0.012750913026390465 1.2937446990818026e-10
21 0.011507826457490511 0.0027363582687714117 5.986763745243817e-12
22 0.0037004028629895433 0.1154234069249271 5.827818649440789e-12
23 0.07854394598368801 -0.012750918967538038 -1.2549057030601853e-09
24 -0.011507720105547653 -0.0027363086688754006 6.8317489521300535e-12
25 -0.04617423942908385 -0.042067273589603785 6.717181252787335e-11
26 0.10351197885297377 -0.07496737718516244 -6.479617644088094e-12
27 0.01683114926959601 0.018780525871169424 1.2486522783176093e-11
28 0.04617425154560847 0.04206732076520765 6.288352779467832e-11
29 -0.10351205157701578 0.07496726130140002 8.700500238517088e-11
30 -0.01683115716865723 -0.018780398878246667 1.6476831516189922e-11
31 -0.005761946420021355 -0.11929388608162275 1.7641293924312354e-11
32 -0.07862833569811983 0.017067260435873734 2.0607663131751832e-10
33 0.0104499033027438 0.003795293904036906 1.6174166859335344e-11
34 0.005761930589052727 0.11929391798447345 2.1091308894328563e-11
35 0.07862842215552666 -0.017067243836534414 9.172236549175625e-10
36 -0.010449638511806521 -0.003795377836791602 2.1107278166377785e-11

Bonds

1 1 13 25
2 1 14 26
3 1 15 27
4 1 16 28
5 1 17 29
6 1 18 30
7 1 19 31
8 1 20 32
9 1 21 33
10 1 22 34
11 1 23 35
12 1 24 36