decane-oplsaa.data2

LAMMPS data file via write_data, version 22 Oct 2015-ICMS, timestep = 9

3200 atoms
2 atom types
3100 bonds
2 bond types
6000 angles
3 angle types
8100 dihedrals
3 dihedral types

5.0600004200000004e-01 7.9334999084000003e+01 xlo xhi
3.0980000500000000e+00 7.9500000000000000e+01 ylo yhi
4.9699997899999998e-01 7.6898002625000004e+01 zlo zhi

Masses

1 12.0112
2 1.00797

Pair Coeffs # lj/cut/coul/cut

1 0.066 3.5
2 0.0300003 2.5

Bond Coeffs # harmonic

1 340 1.09
2 268 1.529

Angle Coeffs # harmonic

1 37.5 110.7
2 33 107.8
3 58.35 112.7

Dihedral Coeffs # opls

1 0 0 0.318 0
2 0 0 0.366 0
3 1.74 -0.157 0.279 0

Atoms # full

1228 39 2 5.9999999999999998e-02 4.5408546833504296e+01 1.0786169131797333e+01 9.7155397139650344e+00 0 0 0
1234 39 2 5.9999999999999998e-02 4.7554901249342088e+01 1.2040881757712278e+01 9.3507106710585735e+00 0 0 0
1240 39 2 5.9999999999999998e-02 4.9700417096929378e+01 1.3295232813673865e+01 8.9872864232663527e+00 0 0 0
1245 39 1 -1.7999999999999999e-01 5.2000203808937812e+01 1.4612047762755420e+01 9.6918774346945540e+00 0 0 0
1246 39 2 5.9999999999999998e-02 5.1872908855536778e+01 1.4570811358003345e+01 8.6108903986995671e+00 0 0 0
1247 39 2 5.9999999999999998e-02 5.2589827017292023e+01 1.3747517090820674e+01 9.9940511752950218e+00 0 0 0
1248 39 2 5.9999999999999998e-02 5.2568518930296520e+01 1.5510198330009642e+01 9.9318732414539603e+00 0 0 0
900 29 2 5.9999999999999998e-02 9.3691135249444883e+00 3.1364442742725281e+01 8.1473195134131178e+00 0 0 0
898 29 2 5.9999999999999998e-02 8.5124276300130894e+00 3.2828147286612449e+01 7.6624654887008257e+00 0 0 0
905 29 2 5.9999999999999998e-02 8.8709661308936258e+00 3.4983161276536045e+01 8.9719642695399173e+00 0 0 0
897 29 1 -1.7999999999999999e-01 9.4402463104342722e+00 3.2450138485071044e+01 8.0897081096984635e+00 0 0 0
899 29 2 5.9999999999999998e-02 1.0251099055816439e+01 3.2700325740019458e+01 7.4068526270110535e+00 0 0 0
901 29 1 -1.2000000000000000e-01 9.6871714224132273e+00 3.3053425405351852e+01 9.4692932703192749e+00 0 0 0
903 29 2 5.9999999999999998e-02 1.0604822848130258e+01 3.2643032296965927e+01 9.8931044265384784e+00 0 0 0
904 29 1 -1.2000000000000000e-01 9.7879077138881065e+00 3.4574356479758954e+01 9.3940492844883146e+00 0 0 0
906 29 2 5.9999999999999998e-02 1.0594060037661293e+01 3.4856495152076477e+01 8.7183329366971485e+00 0 0 0
912 29 2 5.9999999999999998e-02 1.0941619284727610e+01 3.6982811612508804e+01 1.0009801777522000e+01 0 0 0
2274 72 2 5.9999999999999998e-02 2.6732368977847994e+01 3.6729001110234201e+01 2.7577634742101309e+00 0 0 0
2275 72 2 5.9999999999999998e-02 2.6733048308536851e+01 3.6726031925247412e+01 9.9572518375396157e-01 0 0 0
2276 72 2 5.9999999999999998e-02 2.6368921151589475e+01 3.5243514026370136e+01 1.8790044596159967e+00 0 0 0
1537 49 1 -1.7999999999999999e-01 3.1014520628992440e+01 3.9812537372911464e+01 5.5885714732934870e+00 0 0 0
1538 49 2 5.9999999999999998e-02 3.2069460508017038e+01 3.9649747074867626e+01 5.8053053909311148e+00 0 0 0
1539 49 2 5.9999999999999998e-02 3.0622570873085355e+01 3.8906305278657243e+01 5.1286193514786023e+00 0 0 0
1540 49 2 5.9999999999999998e-02 3.0939161082592548e+01 4.0620912414546325e+01 4.8619128714769380e+00 0 0 0
1541 49 1 -1.2000000000000000e-01 3.0244223754540133e+01 4.0150460997227412e+01 6.8619464274939137e+00 0 0 0
1542 49 2 5.9999999999999998e-02 3.0631149020315100e+01 4.1074155129409547e+01 7.2946468523237282e+00 0 0 0
1543 49 2 5.9999999999999998e-02 2.9196643118516750e+01 4.0337098387327316e+01 6.6216143966849010e+00 0 0 0
1544 49 1 -1.2000000000000000e-01 3.0345999601400553e+01 3.9020218481624596e+01 7.8824577688413360e+00 0 0 0
1545 49 2 5.9999999999999998e-02 3.1391895126504281e+01 3.8835129819320677e+01 8.1229862105609811e+00 0 0 0
1546 49 2 5.9999999999999998e-02 2.9958576850052655e+01 3.8098775311826209e+01 7.4500348343486777e+00 0 0 0
1547 49 1 -1.2000000000000000e-01 2.9578788989671580e+01 3.9350288419087853e+01 9.1561490221324426e+00 0 0 0
1548 49 2 5.9999999999999998e-02 2.8531505653611919e+01 3.9532793011880408e+01 8.9187897039373585e+00 0 0 0
1549 49 2 5.9999999999999998e-02 2.9966474252832917e+01 4.0269920543168951e+01 9.5924548412490900e+00 0 0 0
1552 49 2 5.9999999999999998e-02 2.9296566230750482e+01 3.7296106450549146e+01 9.7367809400472325e+00 0 0 0
2273 72 1 -1.7999999999999999e-01 2.6987873664425528e+01 3.6140180146991128e+01 1.8778150321458895e+00 0 0 0
2277 72 1 -1.2000000000000000e-01 2.8470141329919198e+01 3.5778347067667973e+01 1.8792200370818857e+00 0 0 0
2278 72 2 5.9999999999999998e-02 2.8700863765194949e+01 3.5169168451800864e+01 2.7543389655721557e+00 0 0 0
2279 72 2 5.9999999999999998e-02 2.8701628431154020e+01 3.5165432439200849e+01 1.0068578644411375e+00 0 0 0
2280 72 1 -1.2000000000000000e-01 2.9341835064614500e+01 3.7031142519132928e+01 1.8773587951510793e+00 0 0 0
2281 72 2 5.9999999999999998e-02 2.9110889952415636e+01 3.7641534158957171e+01 2.7492782204801909e+00 0 0 0
2282 72 2 5.9999999999999998e-02 2.9111332286205801e+01 3.7637712440496927e+01 1.0026998598833285e+00 0 0 0
2283 72 1 -1.2000000000000000e-01 3.0822786234825355e+01 3.6676737273541200e+01 1.8785752349070879e+00 0 0 0
2284 72 2 5.9999999999999998e-02 3.1056935825483809e+01 3.6068519855966862e+01 1.0058255497425650e+00 0 0 0
2285 72 2 5.9999999999999998e-02 3.1056745902962248e+01 3.6072304720121032e+01 2.7539684692370154e+00 0 0 0
2286 72 1 -1.2000000000000000e-01 3.1687383986125347e+01 3.7931887859008171e+01 1.8751817267342932e+00 0 0 0
2287 72 2 5.9999999999999998e-02 3.1455778409694943e+01 3.8542672231018216e+01 2.7469313133274276e+00 0 0 0
2288 72 2 5.9999999999999998e-02 3.1455648463085776e+01 3.8537713584100473e+01 9.9964215401482581e-01 0 0 0
2289 72 1 -1.2000000000000000e-01 3.3170841495074576e+01 3.7578482657141791e+01 1.8766195158729484e+00 0 0 0
2290 72 2 5.9999999999999998e-02 3.3403140887206412e+01 3.6968578350090134e+01 1.0039726015719921e+00 0 0 0
2291 72 2 5.9999999999999998e-02 3.3402399231286658e+01 3.6972291418288016e+01 2.7520356191735762e+00 0 0 0
2292 72 1 -1.2000000000000000e-01 3.4035245201214813e+01 3.8833698170630328e+01 1.8745311485683986e+00 0 0 0
2293 72 2 5.9999999999999998e-02 3.3800464784265188e+01 3.9441532324527685e+01 2.7473682575156428e+00 0 0 0
2294 72 2 5.9999999999999998e-02 3.3801445892747026e+01 3.9438167712062850e+01 9.9915984435483929e-01 0 0 0
2295 72 1 -1.2000000000000000e-01 3.5516448690382724e+01 3.8479502609095597e+01 1.8752996858275754e+00 0 0 0
2296 72 2 5.9999999999999998e-02 3.5747449969977986e+01 3.7868906542106089e+01 1.0034630155215185e+00 0 0 0
2297 72 2 5.9999999999999998e-02 3.5747246006774745e+01 3.7872812125852917e+01 2.7498693431838417e+00 0 0 0
2298 72 1 -1.2000000000000000e-01 3.6388180640266974e+01 3.9732149636816999e+01 1.8725755010602585e+00 0 0 0
2299 72 2 5.9999999999999998e-02 3.6156685020656973e+01 4.0344831760315891e+01 2.7448625969584017e+00 0 0 0
2300 72 2 5.9999999999999998e-02 3.6157227562799363e+01 4.0341101393690707e+01 9.9749468232552940e-01 0 0 0
2301 72 1 -1.7999999999999999e-01 3.7870487509657089e+01 3.9370308970511473e+01 1.8737336226660692e+00 0 0 0
2302 72 2 5.9999999999999998e-02 3.8126026569289444e+01 3.8781135903708176e+01 9.9397684343141046e-01 0 0 0
2303 72 2 5.9999999999999998e-02 3.8125803220684759e+01 3.8784871150106788e+01 2.7560279926335389e+00 0 0 0
2304 72 2 5.9999999999999998e-02 3.8489263406377432e+01 4.0267162994129883e+01 1.8717410102137213e+00 0 0 0
2638 83 1 -1.2000000000000000e-01 5.7680978017048133e+01 5.9896959037777378e+01 4.5699436146248740e+00 0 0 0
2639 83 2 5.9999999999999998e-02 5.7475878123263499e+01 5.9540237555308551e+01 5.5788500420680194e+00 0 0 0
2640 83 2 5.9999999999999998e-02 5.8748916443797256e+01 6.0108595721164775e+01 4.5251398295939778e+00 0 0 0
2641 83 1 -1.2000000000000000e-01 5.7330583333724888e+01 5.8809139352741411e+01 3.5600088223035504e+00 0 0 0
2642 83 2 5.9999999999999998e-02 5.7535653736400718e+01 5.9166022673527401e+01 2.5509833552075207e+00 0 0 0
2643 83 2 5.9999999999999998e-02 5.6262512740053054e+01 5.8597554806360073e+01 3.6051503742159823e+00 0 0 0
2644 83 1 -1.2000000000000000e-01 5.8121557330478169e+01 5.7534020621996731e+01 3.8279375854929261e+00 0 0 0
2645 83 2 5.9999999999999998e-02 5.7915020101325076e+01 5.7179927626763778e+01 4.8369874214203072e+00 0 0 0
2646 83 2 5.9999999999999998e-02 5.9188472369367652e+01 5.7748303496765956e+01 3.7832083190954724e+00 0 0 0
2647 83 1 -1.2000000000000000e-01 5.7770861742743691e+01 5.6448784756854863e+01 2.8188326072899668e+00 0 0 0
2648 83 2 5.9999999999999998e-02 5.7975183740543692e+01 5.6806594997803273e+01 1.8106606149799804e+00 0 0 0
2649 83 2 5.9999999999999998e-02 5.6703221258161769e+01 5.6238362050026304e+01 2.8640039183634545e+00 0 0 0
2650 83 1 -1.2000000000000000e-01 5.8559988841094281e+01 5.5169095273693713e+01 3.0810731699628136e+00 0 0 0
2651 83 2 5.9999999999999998e-02 5.8356574495371213e+01 5.4810474937453478e+01 4.0910353373591057e+00 0 0 0
2652 83 2 5.9999999999999998e-02 5.9629571265618232e+01 5.5379309509082525e+01 3.0377540236057143e+00 0 0 0
2653 83 1 -1.7999999999999999e-01 5.8204294076519197e+01 5.4086131006216235e+01 2.0665941578906715e+00 0 0 0
2654 83 2 5.9999999999999998e-02 5.8427274016891303e+01 5.4416786192324345e+01 1.0530567030243148e+00 0 0 0
2655 83 2 5.9999999999999998e-02 5.7143644594994804e+01 5.3843178155860841e+01 2.1151146245396344e+00 0 0 0
2656 83 2 5.9999999999999998e-02 5.8769695815027305e+01 5.3174487969365273e+01 2.2573165494046101e+00 0 0 0
2625 83 1 -1.7999999999999999e-01 5.6807504146828570e+01 6.4619571744009690e+01 6.0636769255109888e+00 0 0 0
2626 83 2 5.9999999999999998e-02 5.6584582391366013e+01 6.4288684417894203e+01 7.0771270893484122e+00 0 0 0
2627 83 2 5.9999999999999998e-02 5.7868316502183106e+01 6.4861683508707941e+01 6.0150732858249745e+00 0 0 0
2628 83 2 5.9999999999999998e-02 5.6242835914863150e+01 6.5531689683659565e+01 5.8731508528176741e+00 0 0 0
2629 83 1 -1.2000000000000000e-01 5.6451485739133069e+01 6.3536899553319437e+01 5.0491841398240300e+00 0 0 0
2630 83 2 5.9999999999999998e-02 5.5381869608382338e+01 6.3326813811632647e+01 5.0929538924158519e+00 0 0 0
2631 83 2 5.9999999999999998e-02 5.6654729098636750e+01 6.3895679502900769e+01 4.0391638110557366e+00 0 0 0
2632 83 1 -1.2000000000000000e-01 5.7240367070666601e+01 6.2257037832410781e+01 5.3115867159464436e+00 0 0 0
2633 83 2 5.9999999999999998e-02 5.7035730442504466e+01 6.1899235542197040e+01 6.3196640613191839e+00 0 0 0
2634 83 2 5.9999999999999998e-02 5.8307962663084112e+01 6.2467525613037751e+01 5.2668791259536301e+00 0 0 0
2635 83 1 -1.2000000000000000e-01 5.6889748286922192e+01 6.1171933151957020e+01 4.3022733140732718e+00 0 0 0
2636 83 2 5.9999999999999998e-02 5.7096084730935118e+01 6.1526441683268942e+01 3.2932801898347193e+00 0 0 0
2637 83 2 5.9999999999999998e-02 5.5822830653414158e+01 6.0957464016553459e+01 4.3472169600634549e+00 0 0 0
76 3 2 5.9999999999999998e-02 6.4136773223321313e+01 6.7936564306771530e+01 9.9790745009479895e+00 0 0 0
640 20 2 5.9999999999999998e-02 6.9180481640162981e+01 6.1658386449699115e+01 9.1638921661955397e+00 0 0 0
71 3 2 5.9999999999999998e-02 6.3551467673351091e+01 7.0382799365761386e+01 9.7790595756505585e+00 0 0 0
833 27 1 -1.7999999999999999e-01 2.2034880329274234e+01 1.2136042724619562e+01 1.0916459899864249e+01 0 0 0
834 27 2 5.9999999999999998e-02 2.2680124442706902e+01 1.1883083052258545e+01 1.0076216143401604e+01 0 0 0
835 27 2 5.9999999999999998e-02 2.2464041676912117e+01 1.1693973403617727e+01 1.1814663925924675e+01 0 0 0
836 27 2 5.9999999999999998e-02 2.1061119188178662e+01 1.1678092703771934e+01 1.0745772863728025e+01 0 0 0
1217 39 1 -1.7999999999999999e-01 4.2047034307780514e+01 9.6040950609423916e+00 1.1867120306395556e+01 0 0 0
1218 39 2 5.9999999999999998e-02 4.2174316751902211e+01 9.6450876496335383e+00 1.2948070433277351e+01 0 0 0
1219 39 2 5.9999999999999998e-02 4.1457902455872265e+01 1.0469001671350757e+01 1.1565046459336092e+01 0 0 0
1220 39 2 5.9999999999999998e-02 4.1478238877134622e+01 8.7063816684480582e+00 1.1626911882025942e+01 0 0 0
1221 39 1 -1.2000000000000000e-01 4.3400009009468732e+01 9.5963076784788068e+00 1.1161761083101929e+01 0 0 0
1222 39 2 5.9999999999999998e-02 4.3964550959240391e+01 8.7100617011272146e+00 1.1454992239499838e+01 0 0 0
1223 39 2 5.9999999999999998e-02 4.3253829908521496e+01 9.5265171094350460e+00 1.0082937808371954e+01 0 0 0
1224 39 1 -1.2000000000000000e-01 4.4200466154478384e+01 1.0852318886929545e+01 1.1494494039351911e+01 0 0 0
1226 39 2 5.9999999999999998e-02 4.3636429684041374e+01 1.1736385557424375e+01 1.1200682304768984e+01 0 0 0
1225 39 2 5.9999999999999998e-02 4.4346799601784795e+01 1.0920476215192505e+01 1.2571505418824341e+01 0 0 0
1227 39 1 -1.2000000000000000e-01 4.5552287181702127e+01 1.0851203605969987e+01 1.0793298177299263e+01 0 0 0
1229 39 2 5.9999999999999998e-02 4.6119565777988136e+01 9.9692333802554316e+00 1.1087683272820142e+01 0 0 0
1230 39 1 -1.2000000000000000e-01 4.6346334702383821e+01 1.2107903894424464e+01 1.1130091603040821e+01 0 0 0
1231 39 2 5.9999999999999998e-02 4.6492063692228996e+01 1.2175002872108774e+01 1.2207813860712257e+01 0 0 0
1233 39 1 -1.2000000000000000e-01 4.7700512889136355e+01 1.2107995615241309e+01 1.0428598598044886e+01 0 0 0
1235 39 2 5.9999999999999998e-02 4.8265667234284734e+01 1.1223883119481414e+01 1.0722707413217103e+01 0 0 0
1241 39 2 5.9999999999999998e-02 5.0410652578689643e+01 1.2479300193687143e+01 1.0358512845655428e+01 0 0 0
504 16 2 5.9999999999999998e-02 6.4053553594406523e+01 1.2160331009149653e+01 1.2405733461711758e+01 0 0 0
505 16 2 5.9999999999999998e-02 6.4452552871882460e+01 1.2257086687882140e+01 1.4103235029454300e+01 0 0 0
506 16 1 -1.2000000000000000e-01 6.6132762032238375e+01 1.2566631794153611e+01 1.2792242613341640e+01 0 0 0
509 16 1 -1.7999999999999999e-01 6.6555012143186445e+01 1.1100498661134948e+01 1.2776563690797014e+01 0 0 0
510 16 2 5.9999999999999998e-02 6.5984746464787420e+01 1.0541232332915705e+01 1.2036022370525112e+01 0 0 0
511 16 2 5.9999999999999998e-02 6.6387411804842912e+01 1.0638699633213811e+01 1.3748698040897031e+01 0 0 0
512 16 2 5.9999999999999998e-02 6.7612703183575817e+01 1.1003483932440643e+01 1.2533446373294732e+01 0 0 0
1170 37 2 5.9999999999999998e-02 8.6548914378934434e+00 1.7265828571077055e+01 1.9421738185114268e+01 0 0 0
1171 37 2 5.9999999999999998e-02 9.1766103290527070e+00 1.6429284615565077e+01 1.7978626374779086e+01 0 0 0
1175 37 1 -1.2000000000000000e-01 8.3874554611658603e+00 1.8960279105906526e+01 1.7284617652236257e+01 0 0 0
1176 37 2 5.9999999999999998e-02 7.5734535298970309e+00 1.9035029982492471e+01 1.8004392995933841e+01 0 0 0
1177 37 2 5.9999999999999998e-02 8.0948828365125092e+00 1.8199455785600961e+01 1.6562245214316448e+01 0 0 0
1178 37 1 -1.2000000000000000e-01 8.5732534524829553e+00 2.0299223351695812e+01 1.6576115574632897e+01 0 0 0
1180 37 2 5.9999999999999998e-02 8.8675734177969154e+00 2.1061681270814439e+01 1.7298635692990388e+01 0 0 0
1181 37 1 -1.7999999999999999e-01 7.2928646634780963e+00 2.0727398583756472e+01 1.5865148309135440e+01 0 0 0
1182 37 2 5.9999999999999998e-02 6.4730249010616765e+00 2.0833267982231863e+01 1.6574348455197761e+01 0 0 0
1183 37 2 5.9999999999999998e-02 6.9988855702029342e+00 1.9989951300769285e+01 1.5119394439247280e+01 0 0 0
1184 37 2 5.9999999999999998e-02 7.4296441689740220e+00 2.1683446363447395e+01 1.5360732204161708e+01 0 0 0
1165 37 2 5.9999999999999998e-02 1.0259849663356205e+01 1.4659406340201336e+01 1.9395654960672324e+01 0 0 0
1166 37 1 -1.2000000000000000e-01 1.0745304398673113e+01 1.6754805660420754e+01 1.9415666769009313e+01 0 0 0
1167 37 2 5.9999999999999998e-02 1.1560050945010564e+01 1.6678966132803644e+01 1.8696042321537234e+01 0 0 0
1169 37 1 -1.2000000000000000e-01 9.4695075078456874e+00 1.7189808294417080e+01 1.8701989595043244e+01 0 0 0
1172 37 1 -1.2000000000000000e-01 9.6620589315071967e+00 1.8527143257917050e+01 1.7996519746983587e+01 0 0 0
1173 37 2 5.9999999999999998e-02 1.0476963915421484e+01 1.8448694925953401e+01 1.7278275796511867e+01 0 0 0
1174 37 2 5.9999999999999998e-02 9.9550397573987102e+00 1.9285177054886130e+01 1.8721587663165696e+01 0 0 0
1179 37 2 5.9999999999999998e-02 9.3888025342318127e+00 2.0225544966550959e+01 1.5855463782946684e+01 0 0 0
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