PyAC_bulk-clayff.data2

LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 97

1280 atoms
5 atom types
128 bonds
1 bond types

-1.0320000000000000e+01 1.0320000000000000e+01 xlo xhi
-1.7931646038000000e+01 1.7931646038000000e+01 ylo yhi
-9.1966146809999998e+00 9.1966146809999998e+00 zlo zhi
2.2533867499999999e-01 -3.3938777480000000e+00 -3.6365652300000001e-01 xy xz yz

Masses

1 26.9815
2 28.0855
3 15.9994
4 15.9994
5 1.00797

Pair Coeffs # lj/cut/coul/long

1 1.3297e-06 4.27132
2 1.8402e-06 3.30196
3 0.155416 3.16552
4 0.155416 3.16552
5 0 0

Bond Coeffs # harmonic

1 553.935 1

Atoms # full

1 1 1 1.5750000000000000e+00 2.6000714789593751e+00 1.4894792160606976e+00 -3.2724341643746158e-03 0 0 0
2 1 2 2.1000000000000001e+00 3.3888512764168830e+00 8.8633039168875207e+00 2.7538958890238696e+00 0 0 0
3 1 2 2.1000000000000001e+00 3.4122036402903841e+00 2.8524887294223298e+00 2.7617665793809874e+00 0 0 0
4 1 3 -1.0500000000000000e+00 3.1915227275702804e+00 -3.1324495771823280e-02 1.1357360737372577e+00 0 0 0
5 1 3 -1.0500000000000000e+00 3.5470332310491468e+00 2.7594471461919454e+00 1.1370452762630130e+00 0 0 0
6 1 4 -9.4999999999999996e-01 9.0639639057410193e-01 1.5632155125620351e+00 1.0068888079392266e+00 0 0 0
7 1 3 -1.0500000000000000e+00 -4.4300615993295267e-01 3.5553766737673556e+00 3.2357435343452252e+00 0 0 0
8 1 3 -1.0500000000000000e+00 3.2999227287331738e+00 1.3781331597446389e+00 3.2376888080414368e+00 0 0 0
9 1 3 -1.0500000000000000e+00 2.1466799995253449e+00 3.7042086116993893e+00 3.0458513707542529e+00 0 0 0
10 1 5 4.2499999999999999e-01 3.9947470817457997e-01 6.8417215087817951e-01 1.1506443642559319e+00 0 0 0
11 1 1 1.5750000000000000e+00 5.2082449841408476e+00 5.9724138174009802e+00 -3.2727950796616057e-03 0 0 0
12 1 2 2.1000000000000001e+00 7.8065894330936025e-01 4.3803928207698632e+00 2.7538963739148841e+00 0 0 0
13 1 2 2.1000000000000001e+00 8.6037969207801268e-01 7.3353752959374141e+00 2.7617620870872734e+00 0 0 0
14 1 3 -1.0500000000000000e+00 6.3966639689459548e-01 4.4515687682101515e+00 1.1357627423737586e+00 0 0 0
15 1 3 -1.0500000000000000e+00 9.9522811059404503e-01 7.2423309133503437e+00 1.1370279152922151e+00 0 0 0
16 1 4 -9.4999999999999996e-01 3.5145746331402776e+00 6.0461056209184996e+00 1.0068980245516883e+00 0 0 0
17 1 3 -1.0500000000000000e+00 2.1651871307123436e+00 8.0382769067536834e+00 3.2357639695907174e+00 0 0 0
18 1 3 -1.0500000000000000e+00 7.4808571963755277e-01 5.8610699261249799e+00 3.2376852068400783e+00 0 0 0
19 1 3 -1.0500000000000000e+00 -4.0513200105762692e-01 8.1871458861348252e+00 3.0458340831318527e+00 0 0 0
20 1 5 4.2499999999999999e-01 3.0076408529876133e+00 5.1671352838070419e+00 1.1506727018101763e+00 0 0 0
21 1 1 1.5750000000000000e+00 2.6160337242627385e+00 7.4762121163480835e+00 -3.7679339507690202e-03 0 0 0
22 1 2 2.1000000000000001e+00 1.8272442423721067e+00 1.0235452397406419e-01 -2.7608951598863420e+00 0 0 0
23 1 2 2.1000000000000001e+00 1.8039149824855656e+00 6.1131988863851205e+00 -2.7688143987069944e+00 0 0 0
24 1 3 -1.0500000000000000e+00 2.0247359072770106e+00 8.9971166431897238e+00 -1.1428135308481817e+00 0 0 0
25 1 3 -1.0500000000000000e+00 1.6690396934061837e+00 6.2060610243661216e+00 -1.1440123480308522e+00 0 0 0
26 1 4 -9.4999999999999996e-01 4.3098171216561010e+00 7.4025604980703399e+00 -1.0139209840264627e+00 0 0 0
27 1 3 -1.0500000000000000e+00 5.6591538061328155e+00 5.4102822214207755e+00 -3.2426109985712959e+00 0 0 0
28 1 3 -1.0500000000000000e+00 1.9163543145814046e+00 7.5875429044875240e+00 -3.2448378878070452e+00 0 0 0
29 1 3 -1.0500000000000000e+00 3.0694016918821738e+00 5.2613972898578716e+00 -3.0528608543594498e+00 0 0 0
30 1 5 4.2499999999999999e-01 4.8166238332644706e+00 8.2814552559221255e+00 -1.1575484564914529e+00 0 0 0
31 1 1 1.5750000000000000e+00 7.8721152905387726e-03 2.9932710911072924e+00 -3.7631068242820476e-03 0 0 0
32 1 2 2.1000000000000001e+00 4.4354124124076613e+00 4.5852699365916116e+00 -2.7608937131000477e+00 0 0 0
33 1 2 2.1000000000000001e+00 4.3557271097076509e+00 1.6303240475520013e+00 -2.7688126814472618e+00 0 0 0
34 1 3 -1.0500000000000000e+00 4.5765848686916186e+00 4.5142288488406983e+00 -1.1428174767092045e+00 0 0 0
35 1 3 -1.0500000000000000e+00 4.2208490378864258e+00 1.7231665684011759e+00 -1.1440027470792096e+00 0 0 0
36 1 4 -9.4999999999999996e-01 1.7016187601541688e+00 2.9196493272429898e+00 -1.0139413773039561e+00 0 0 0
37 1 3 -1.0500000000000000e+00 3.0509330899831255e+00 9.2736403559655045e-01 -3.2426261785942208e+00 0 0 0
38 1 3 -1.0500000000000000e+00 4.4681918905758522e+00 3.1045919000279127e+00 -3.2448481471079784e+00 0 0 0
39 1 3 -1.0500000000000000e+00 5.6212256650052446e+00 7.7845330241011723e-01 -3.0528452687877392e+00 0 0 0
40 1 5 4.2499999999999999e-01 2.2084407067451135e+00 3.7984879157614522e+00 -1.1576655468405033e+00 0 0 0
41 1 1 1.5750000000000000e+00 7.7600845308154121e+00 1.4894705806920072e+00 -3.2671351978219576e-03 0 0 0
42 1 2 2.1000000000000001e+00 -1.2091142634891035e+01 8.8633145054206288e+00 2.7538808736094804e+00 1 0 0
43 1 2 2.1000000000000001e+00 -1.2067805176309086e+01 2.8524796084808841e+00 2.7617740243776367e+00 1 0 0
44 1 3 -1.0500000000000000e+00 8.3515069292543487e+00 -3.1325720205767738e-02 1.1357488996139420e+00 0 0 0
45 1 3 -1.0500000000000000e+00 -1.1932961924224253e+01 2.7594497009075667e+00 1.1370388175604429e+00 1 0 0
46 1 4 -9.4999999999999996e-01 6.0663707264653013e+00 1.5631845173515728e+00 1.0068709132216025e+00 0 0 0
47 1 3 -1.0500000000000000e+00 4.7169659967870281e+00 3.5553592839706596e+00 3.2357488556419618e+00 0 0 0
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49 1 3 -1.0500000000000000e+00 7.3066640290441995e+00 3.7042200322170231e+00 3.0458484110925532e+00 0 0 0
50 1 5 4.2499999999999999e-01 5.5594541328557323e+00 6.8415109182854295e-01 1.1505002465261160e+00 0 0 0
51 1 1 1.5750000000000000e+00 -1.0271746834233385e+01 5.9724140268693553e+00 -3.2716143612443460e-03 1 0 0
52 1 2 2.1000000000000001e+00 5.9406816112148135e+00 4.3803846602753786e+00 2.7538960010783704e+00 0 0 0
53 1 2 2.1000000000000001e+00 6.0203901170690983e+00 7.3353651695314888e+00 2.7617667261366279e+00 0 0 0
54 1 3 -1.0500000000000000e+00 5.7996709988339532e+00 4.4515666071358559e+00 1.1357461524365906e+00 0 0 0
55 1 3 -1.0500000000000000e+00 6.1552236861599425e+00 7.2423398264353658e+00 1.1370349087014215e+00 0 0 0
56 1 4 -9.4999999999999996e-01 -1.1965418454563789e+01 6.0461212882123156e+00 1.0069140277775315e+00 1 0 0
57 1 3 -1.0500000000000000e+00 7.3251652456970113e+00 8.0382592725304569e+00 3.2357579104016239e+00 0 0 0
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60 1 5 4.2499999999999999e-01 8.1676630487137487e+00 5.1671484741634544e+00 1.1507863408329566e+00 0 0 0
61 1 1 1.5750000000000000e+00 7.7760430938164511e+00 7.4762112686089210e+00 -3.7661045029810936e-03 0 0 0
62 1 2 2.1000000000000001e+00 6.9872221277103073e+00 1.0236400622085640e-01 -2.7608956869542940e+00 0 0 0
63 1 2 2.1000000000000001e+00 6.9639024613826237e+00 6.1132078591126024e+00 -2.7688180306859120e+00 0 0 0
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66 1 4 -9.4999999999999996e-01 -1.1170179401349104e+01 7.4025715318519616e+00 -1.0139079045151256e+00 1 0 0
67 1 3 -1.0500000000000000e+00 -9.8208722096162422e+00 5.4102617645258597e+00 -3.2426169389587720e+00 1 0 0
68 1 3 -1.0500000000000000e+00 7.0763533880459448e+00 7.5875269446494933e+00 -3.2448428093510815e+00 0 0 0
69 1 3 -1.0500000000000000e+00 8.2294134599018207e+00 5.2613928775960481e+00 -3.0528635113467359e+00 0 0 0
70 1 5 4.2499999999999999e-01 -1.0663356752324118e+01 8.2814647238737038e+00 -1.1574570360611904e+00 1 0 0
71 1 1 1.5750000000000000e+00 5.1678595511383953e+00 2.9932794956743400e+00 -3.7682495154793827e-03 0 0 0
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73 1 2 2.1000000000000001e+00 -1.1124280120471164e+01 1.6303130160621073e+00 -2.7688050243051654e+00 1 0 0
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75 1 3 -1.0500000000000000e+00 -1.1259146460802429e+01 1.7231701588295429e+00 -1.1440089039848367e+00 1 0 0
76 1 4 -9.4999999999999996e-01 6.8616453016252521e+00 2.9196822038068042e+00 -1.0139216128372404e+00 0 0 0
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80 1 5 4.2499999999999999e-01 7.3684626875205588e+00 3.7985101846869256e+00 -1.1575103660650452e+00 0 0 0
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82 1 2 2.1000000000000001e+00 -6.9311483564799579e+00 8.8633038807281785e+00 2.7538960009466376e+00 1 0 0
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100 1 5 4.2499999999999999e-01 -7.3123591493045659e+00 5.1671352420150960e+00 1.1506725160907028e+00 1 0 0
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