lammps/examples/PACKAGES/srp/data.chain

LAMMPS data file via write_data, version 22 Jul 2014, timestep = 1000

3000 atoms
2 atom types
2700 bonds
1 bond types

0.0000000000000000e+00 1.0000000000000000e+01 xlo xhi
0.0000000000000000e+00 1.0000000000000000e+01 ylo yhi
0.0000000000000000e+00 1.0000000000000000e+01 zlo zhi

Masses

1 1
2 1 # extra atom type for pair srp, mass is not used

Atoms # full

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930 8.4679227276984859e-01 -1.1387965151375576e-01 -1.1756929661002167e+00
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2018 5.1318239646015162e-01 7.1722100132659194e-01 2.9286986673288717e-02
101 5.9678767083175666e-01 -1.1863196517885544e+00 3.7032841488966400e-01
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2013 7.8559376529771097e-01 -2.6612018331977472e-01 -8.4818400214714718e-01
2044 2.8284622833645773e-02 -7.5291959169120981e-01 -1.9586632096039174e+00
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103 6.4946318559931193e-01 1.3154782122704003e-01 1.9170232418115374e+00
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2685 1.6450525292727791e+00 -1.7534907207145281e-01 -7.9744204880298852e-01
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781 9.1372051591647241e-02 -6.2304265157751604e-01 6.5552759576846831e-01
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2175 -2.6912041940104503e-01 3.1859665290424533e-01 -2.2700480200613632e-02
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431 2.0273436262191469e-01 6.5734515754739681e-02 9.1824184792806529e-01
2015 5.2602141595114713e-02 -1.6250338766307273e+00 -9.1496048430908405e-01
2016 -1.0726643129688671e+00 8.3659209991562278e-01 -5.5337090140260481e-01
794 1.4476440387879692e+00 -5.7702862678085040e-02 3.2791208049906495e-01
2017 7.8262205082764857e-01 -6.3086639812140710e-01 1.4452226861098629e+00
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1028 1.2366432131566263e+00 7.5019046218800711e-01 -2.7952421752911843e-01
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493 5.1832343486991464e-02 -6.8581720281841185e-01 1.6955089298336452e+00
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298 1.9123004968604629e+00 3.0755551435058606e+00 5.8474965033714887e-01
2134 6.1780179307903715e-01 2.1342820392075434e-01 -6.4810483320451584e-01
1966 -1.2580866278449019e+00 9.6794927717989046e-02 -4.4159568961429591e-01
2131 8.4983830535635307e-01 -1.0931349895511111e+00 1.4925747950679189e+00
2132 5.5655047744515052e-01 -2.2810634615142408e-01 -2.9441282693773874e-01
1968 -7.4028858710020029e-01 6.0241449251510426e-01 -1.2372267771439405e-01
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300 1.3759459899512390e+00 1.4571165592378643e+00 -1.5129768617699238e-01
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2135 -6.2477882755620773e-01 -9.7875701929727499e-02 1.4477077287393263e+00
1961 1.2273254998398675e+00 -1.2018166940025101e+00 1.7011702807593772e+00
2262 -3.8859610814706569e-01 1.2937571629675095e+00 -7.1722490773419023e-02
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2138 2.8923026065384222e-01 5.8827694377757300e-01 4.7152799946108326e-01
2133 5.6842193282340026e-01 -3.4236925014490932e-01 7.8937858712173914e-01
1064 -1.0191399450812457e+00 -4.4900460263136527e-01 -2.2419739260521390e-01
1963 9.5942991992927973e-01 6.8094589159553098e-01 -1.6014599827913095e-01
1962 -1.2380143720153165e+00 1.8244314713630927e-01 9.9515434832336591e-01
1998 -6.5675462681879182e-01 1.2875164766381314e-02 -1.6353671889793393e+00
963 -6.6648272106078021e-01 -5.2100505163311350e-01 -1.4928419088290592e+00
2000 -1.1945178676807963e-01 8.2329352725319571e-01 6.4500060034755347e-01
2930 -9.7088111514378383e-01 1.6387901117249792e+00 -5.2908876881945122e-01
819 -2.3033355514234137e+00 4.1829475827976265e-01 3.1040350648141124e-01
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949 1.3613967467022179e+00 -1.3162510736750390e+00 -3.3335497953678062e-01
950 3.5394282014160727e-01 -9.1976071303035103e-02 1.1055983033975088e+00
1391 -1.2469492384088394e+00 -1.1481600527273370e+00 5.5614804348525360e-01
1976 8.1266496693489187e-01 9.4641150569226040e-01 1.9253591880129478e-01
2139 1.1464510554828811e-01 5.6448439565115183e-01 -5.9192549851507670e-01
1972 -5.9811726329438741e-01 1.2291710370332540e+00 -7.9963124528004670e-01
1996 -8.7679450727403851e-01 -3.6425214500033787e-01 1.3973309090946728e+00
1994 -7.3979033391149940e-01 -2.2104680937094334e-01 -1.3760937954218670e+00
1999 1.1409813032007134e+00 1.5630834902502884e+00 9.4260727806592071e-01
650 -6.7019495755191316e-01 -7.7886550171615565e-01 -1.1361394549768187e+00
2222 4.2891370713902183e-01 1.6756090348776767e+00 -1.3338882140504700e+00
820 -6.5065528172069975e-01 -1.8790512793320491e+00 2.2885082460183956e+00
2120 -5.5866459284391567e-01 -8.4151965722872465e-02 1.2458306029977289e+00
30 -3.8903001775718232e-01 -1.1526995523285921e+00 -7.5626395043681438e-01
1701 -7.8696332237763456e-01 -7.9683061606446315e-01 6.0660453890526478e-01
1978 5.8295179121690843e-01 -1.2801552865029120e-01 1.0831134167581233e+00
1977 -1.3149913446848002e-02 3.2815591498004026e-01 -2.4154998437248278e+00
1975 -2.7943300880153945e+00 5.2522571232476689e-01 -3.7983737733936629e-01
1974 1.4078410047679479e+00 3.0793812092172490e-01 -4.6369868838054856e-01
2803 -3.8086803718278162e-02 4.4219592845595507e-01 -8.9130685441076296e-01
1980 -8.5832217144313983e-01 -2.9240139929621967e-01 9.8430455603689460e-01
274 1.8828992880861488e+00 8.5658801106583904e-01 -3.3604082788537665e-01
2810 1.7919618541415014e+00 -9.2355002728555391e-01 1.7701330097160439e+00
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2805 1.5265032282480234e-01 4.3631291003601480e-01 1.1964698949014860e+00
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1730 6.4427607085017352e-02 -9.1009332689161782e-01 -7.2303547630680765e-01
2807 -4.3004915103423480e-01 1.3049992384075859e+00 7.4081722344904388e-01
984 2.5677718316065232e+00 -1.2819835665814054e+00 -2.5368957291216054e-01
2469 -1.0180617628656570e+00 -2.4017747442480381e-01 8.9384251920438196e-01
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1759 1.3841204116151629e+00 -8.6927000603200599e-01 3.6215857499363291e-01
2578 -5.2368725923410775e-01 -6.1630704313190587e-01 -1.8124363521439582e-01
1942 6.7105380178092677e-01 -8.0565649634524483e-01 7.0120592981947316e-01
1744 -2.5079947298115463e-01 -5.7060319855728203e-01 1.1828476999093984e+00
1970 -1.0604665972122629e+00 -6.5570415096483647e-03 -1.4708688077853871e-01
1946 -8.6564314310290069e-01 -9.2867433697890711e-01 4.4007050672504500e-01
2355 6.8486590246254664e-01 -1.3273214868801517e+00 3.8609411443513603e-01
1945 1.1917630068219806e-01 -9.1859847618334356e-01 -8.7566124267660206e-01
2357 -1.5725772804325193e+00 -7.1309912136151110e-01 1.2590085043899737e+00
1757 -1.3790456619341829e-01 -4.9540188089299692e-02 -3.2578862473515979e-01
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346 -2.5386471583003728e-01 -7.9518170552106759e-01 8.1295867183591886e-01
1861 2.2663193322739036e-01 -1.3431487477915030e+00 -8.6024214660915643e-02
349 -7.0371639717158130e-01 1.3130641428775540e+00 -8.5530669709819973e-01
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1343 5.2769052945790840e-01 1.1253803650737439e+00 4.8193929825053067e-01
350 3.0325323298027551e-01 -6.3923666390332468e-01 -1.7259856587884430e+00
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2267 -7.0113862220633560e-01 3.3016500656024669e-02 -1.8489325333692613e-01
2009 1.4022020932820625e+00 -9.3164090591831183e-01 -1.0311813302779330e-01
2010 -5.4421860921871101e-01 1.4574777263688576e+00 -1.5133184551712395e+00
1751 -4.3642186454699833e-01 4.6012380503494549e-01 1.1566007564799561e+00
2121 6.0511661287065988e-01 6.8624466174624832e-01 -7.7132051157014081e-01
1745 2.9438944417064949e-01 2.5174049529128953e-02 1.8935473268601863e-01
1969 -2.1566688845439061e-01 3.3554906217951125e-01 -1.1307566728575997e+00
1965 3.9399026987666436e-01 -8.7338403809603937e-01 -1.1894789608525926e+00
2129 5.2086250205594253e-01 2.2383335657509629e+00 1.0682970104343517e+00
2653 1.1873920648462245e-01 -1.9952608672384262e+00 1.9521918023923139e+00
270 1.0949464847465112e-01 1.5951903081273737e+00 -1.0516231673812235e+00
1862 1.9226915974947529e+00 3.7209098664657458e-01 3.4274915032909153e-01
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2136 -1.3441563248368251e+00 1.2706150157674325e+00 1.5136798327017593e+00
2655 3.2492255561193806e-01 -5.3503294939968093e-01 4.4163000193342228e-01
508 3.3434772525593870e-01 -1.8595957395540670e+00 -2.4955437966733562e-01
507 3.4976824482732394e-01 4.8492116857907519e-01 -1.4218372562783768e+00
506 -1.7593195987737296e+00 4.3317228641311251e-01 -3.3722303297050665e-01
2263 2.5447309347003255e-01 7.8876939004824675e-01 2.9979461334121393e-01
2929 4.7581112495056466e-01 2.3203049678243137e+00 1.4768700098153342e-01
1964 8.3899810349969961e-01 -1.2509757399205230e+00 2.3202867585024184e-02
509 -1.0319596272187959e+00 -1.2766945573126720e+00 1.8569353061302662e-01
2266 1.4907040408644503e+00 -2.5937274477266250e+00 1.8466271332571547e+00
2265 8.2397410289979856e-01 4.7764575180338492e-01 5.0730922281023905e-01
501 7.1544454876066288e-01 -9.6882124710838124e-01 -1.2321177133805346e+00
2264 9.8576833662990648e-01 -1.1279002328852676e+00 -6.0907642939022733e-01
10 3.3410680391118486e-01 1.1960507651254260e+00 2.0456951433817281e+00
9 -1.5133008083070074e+00 -7.0126419459761036e-01 -4.3628808192769913e-01
1761 -2.2596757532660186e-01 -7.7869050656745403e-02 -5.1669393712770906e-01
8 -9.0199007833803291e-01 -9.9857571405358958e-01 -1.8550751730392939e-01
1865 1.1562460702389701e-01 8.6497341867618005e-01 1.0688061709797223e+00
816 6.7216815428594034e-02 -4.0227009805885977e-02 1.0400018023651869e+00
1392 -6.7134114362021058e-01 -1.1555357624713420e+00 9.5898412620686824e-01
857 1.2513015052059466e+00 8.9525851970007198e-01 -2.2017733202645200e+00
1991 -4.5960060124059837e-01 1.5903702713905282e-01 1.0977374870862668e+00
856 9.3602958351076482e-01 -6.9065244291053951e-01 1.7516319572839354e+00
510 5.0202490634546493e-01 -4.0226484693913800e-01 -2.8478085103629258e-01
1703 2.7792038608330360e-02 -8.6857742730421728e-01 -1.5035758046346313e+00
1704 -5.1897519765876199e-01 3.5642217228673984e-01 -1.8680050505501502e+00
1973 -1.0241162508818697e+00 -1.9601752731182762e-01 9.0959739881815582e-01
29 -8.7372103808599766e-01 -5.3064215108194790e-01 1.2621806357011995e+00
860 3.9556822092836352e-01 -2.1221593742967308e+00 1.6455999523471099e-01
858 6.2673079610025065e-03 2.2019919700690141e-01 1.7203746511977028e-01
1702 5.4656221510603065e-01 2.5752306492292615e-01 -1.2405795002100162e+00
2221 1.7670906654370770e+00 -7.9012596964537718e-01 -1.2024010659484499e+00
1710 -8.3141420167886082e-01 -4.8446517897845742e-01 2.5304194062151331e-01
859 -7.9979652257682998e-01 2.2596544706398927e+00 1.7306924765439842e+00
1882 -1.4961901977981005e+00 1.1074448203123082e+00 -3.5200668710088756e-01
1881 9.8730587687432303e-01 8.1627267603915132e-01 -5.9160490170867552e-02
2998 1.2414058136507351e+00 9.4664562898776505e-01 -2.1296266769579009e+00
1971 3.5748528627740583e-01 -1.7786379385314230e+00 4.5602675718535729e-01
1891 1.0162254131925264e+00 -8.4955282782835029e-01 4.7719084555806324e-01
1705 1.3762744122390764e+00 -5.2719529347396288e-01 5.8270657587464414e-01
999 4.0872732130467293e-01 1.4892628208404429e-01 -9.9329297779616998e-01
1000 -3.7652539406587943e-01 -3.9820563806593229e-01 -6.7758602645708133e-01
2632 1.4762255106226472e+00 -5.5826570940795206e-01 -7.9003399562580179e-01
2223 5.1477703336614211e-01 -8.7195108537819921e-01 4.5472831121980040e-01
112 1.2666222428638413e-01 1.8018877021120427e+00 1.1957847401103467e+00
1893 -4.1825607211657873e-01 -6.2765610977244501e-01 8.6760281461812028e-01
1892 -3.6964959975030653e-01 1.3127655011112753e+00 2.0493232018784724e-01
2806 -6.3809055012735394e-01 6.0423543917996492e-01 -7.3428050197675254e-01
271 -1.4241670155710218e-01 -3.3356622431206534e-01 1.7824876407761698e+00
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151 -6.5040085551051652e-01 1.3752148657348862e-03 1.2466833145230960e+00
2825 4.3299265261094566e-02 1.0817742235279986e+00 2.1794203203243812e-01
273 1.2227586271824806e+00 -3.6315900265401296e-01 -6.4074596784459599e-04
78 -9.4915808277244385e-01 -1.4564532601879929e+00 -7.7636050276258095e-01
79 3.6320212607149238e-01 7.5817644137225004e-01 -1.5367171202376120e-01
80 -3.7365505971351304e-01 8.2218661519697489e-01 -7.6201455656600681e-01
632 3.3884005142494150e-02 2.1737735107681466e+00 -9.8046298362471723e-02
2008 4.0335810026508356e-01 1.6541417891833869e+00 3.0825524148048200e-01
2492 2.0022097775308012e+00 2.9691408825752247e-01 9.1315087926162763e-01
2006 -1.5310590176759364e+00 -8.2452041065006546e-02 -6.7082877563400339e-02
1947 -1.1441541809627813e+00 -8.5186439002932968e-01 -3.9488983259779453e-01
2007 -1.3602843214349392e+00 -7.8629158321298109e-01 4.9017290839230614e-02
2493 -5.8090896878639264e-01 -2.8834808751588870e-01 1.2175798138144334e+00
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2824 -4.3325353868974370e-01 5.3267893567855773e-01 4.8643663380374802e-01
2822 -7.9041516795262146e-01 6.3917385973899354e-01 1.5469698154745848e-01
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936 -5.0495394134572313e-01 7.7246056867244206e-01 1.1109195892183510e+00
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1345 -1.3559813335203657e+00 -1.1709660168644338e+00 -1.9345596429141623e+00
1148 -7.7946970612870969e-01 1.2251456425102651e+00 -7.4947300677578421e-01
1144 1.1465547069718391e+00 -1.0713761048857766e+00 -9.3302596298449569e-01
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Bonds

1 1 1656 1657
2 1 2472 2473
3 1 1657 1658
4 1 1655 1656
5 1 911 912
6 1 2616 2617
7 1 2619 2620
8 1 1422 1423
9 1 2617 2618
10 1 1654 1655
11 1 1477 1478
12 1 89 90
13 1 88 89
14 1 2254 2255
15 1 1388 1389
16 1 2154 2155
17 1 1389 1390
18 1 2615 2616
19 1 1215 1216
20 1 2312 2313
21 1 1216 1217
22 1 1214 1215
23 1 2151 2152
24 1 2156 2157
25 1 2153 2154
26 1 2255 2256
27 1 2157 2158
28 1 2314 2315
29 1 2315 2316
30 1 2316 2317
31 1 2253 2254
32 1 1549 1550
33 1 2258 2259
34 1 2811 2812
35 1 2812 2813
36 1 2257 2258
37 1 2159 2160
38 1 1323 1324
39 1 527 528
40 1 2667 2668
41 1 2364 2365
42 1 2368 2369
43 1 528 529
44 1 2365 2366
45 1 526 527
46 1 2665 2666
47 1 1137 1138
48 1 2813 2814
49 1 1138 1139
50 1 2669 2670
51 1 2318 2319
52 1 2363 2364
53 1 2367 2368
54 1 919 920
55 1 2287 2288
56 1 2281 2282
57 1 1139 1140
58 1 2288 2289
59 1 918 919
60 1 2284 2285
61 1 2289 2290
62 1 2101 2102
63 1 319 320
64 1 915 916
65 1 916 917
66 1 1094 1095
67 1 914 915
68 1 2103 2104
69 1 2474 2475
70 1 913 914
71 1 2143 2144
72 1 2475 2476
73 1 917 918
74 1 2869 2870
75 1 1098 1099
76 1 2862 2863
77 1 756 757
78 1 1772 1773
79 1 2864 2865
80 1 779 780
81 1 778 779
82 1 2868 2869
83 1 1421 1422
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85 1 1479 1480
86 1 1213 1214
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