mirror of https://github.com/lammps/lammps.git
3408 lines
292 KiB
Plaintext
3408 lines
292 KiB
Plaintext
DATE: 2008-10-01 DATE: 2007-06-11 CONTRIBUTOR: Unknown CITATION: Cai and Ye, Phys Rev B, 54, 8398-8410 (1996)
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##Al-Cu EAM potentials from J. Cai and Y.Y. Ye##
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################################################
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2 Al Cu
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1000 1.0396723078e+00 3000 2.2282427476e-03 6.6825000000e+00
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13 26.982000 4.0500 FCC
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0.0000000000e+00 -2.1767449557e+00 -2.4990813534e+00 -2.6496760244e+00 -2.7253849481e+00
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-2.7591663505e+00 -2.7663518902e+00 -2.7553339815e+00 -2.7312007514e+00 -2.6972630380e+00
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-2.6557902680e+00 -2.6084014567e+00 -2.5562887923e+00 -2.5003530500e+00 -2.4412894883e+00
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-2.3796444518e+00 -2.3158538834e+00 -2.2502702491e+00 -2.1831818096e+00 -2.1148266989e+00
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-2.0454033947e+00 -1.9750786320e+00 -1.9039934676e+00 -1.8322679896e+00 -1.7600050152e+00
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-1.6872930255e+00 -1.6142085169e+00 -1.5408179013e+00 -1.4671790545e+00 -1.3933425865e+00
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-1.3193528919e+00 -1.2452490231e+00 -1.1710654201e+00 -1.0968325258e+00 -1.0225773042e+00
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-9.4832368270e-01 -8.7409292765e-01 -7.9990396741e-01 -7.2577366964e-01 -6.5171708094e-01
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-5.7774763453e-01 -5.0387733073e-01 -4.3011689442e-01 -3.5647591283e-01 -2.8296295631e-01
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-2.0958568471e-01 -1.3635094104e-01 -6.3264834418e-02 9.6671865249e-03 8.2440268427e-02
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1.5505009515e-01 2.2749283601e-01 2.9976509958e-01 3.7186389225e-01 4.4378658113e-01
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5.1553086074e-01 5.8709472300e-01 6.5847643024e-01 7.2967449078e-01 8.0068763696e-01
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8.7151480517e-01 9.4215511780e-01 1.0126078669e+00 1.0828724993e+00 1.1529486030e+00
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|
1.2228358950e+00 1.2925342101e+00 1.3620434904e+00 1.4313637763e+00 1.5004951980e+00
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|
1.5694379672e+00 1.6381923706e+00 1.7067587629e+00 1.7751375612e+00 1.8433292389e+00
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1.9113343215e+00 1.9791533812e+00 2.0467870330e+00 2.1142359309e+00 2.1815007639e+00
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|
2.2485822530e+00 2.3154811482e+00 2.3821982254e+00 2.4487342840e+00 2.5150901445e+00
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|
2.5812666462e+00 2.6472646452e+00 2.7130850127e+00 2.7787286330e+00 2.8441964020e+00
|
|
2.9094892258e+00 2.9746080194e+00 3.0395537050e+00 3.1043272114e+00 3.1689294727e+00
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3.2333614270e+00 3.2976240161e+00 3.3617181842e+00 3.4256448773e+00 3.4894050422e+00
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3.5529996262e+00 3.6164295766e+00 3.6796958394e+00 3.7427993595e+00 3.8057410802e+00
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3.8685219421e+00 3.9311428834e+00 3.9936048391e+00 4.0559087412e+00 4.1180555174e+00
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4.1800460919e+00 4.2418813844e+00 4.3035623103e+00 4.3650897801e+00 4.4264646995e+00
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|
4.4876879690e+00 4.5487604841e+00 4.6096831347e+00 4.6704568051e+00 4.7310823742e+00
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|
4.7915607148e+00 4.8518926943e+00 4.9120791737e+00 4.9721210084e+00 5.0320190473e+00
|
|
5.0917741336e+00 5.1513871039e+00 5.2108587891e+00 5.2701900133e+00 5.3293815948e+00
|
|
5.3884343453e+00 5.4473490703e+00 5.5061265691e+00 5.5647676344e+00 5.6232730529e+00
|
|
5.6816436048e+00 5.7398800641e+00 5.7979831985e+00 5.8559537694e+00 5.9137925319e+00
|
|
5.9715002350e+00 6.0290776214e+00 6.0865254277e+00 6.1438443843e+00 6.2010352155e+00
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|
6.2580986396e+00 6.3150353688e+00 6.3718461092e+00 6.4285315610e+00 6.4850924186e+00
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6.5415293704e+00 6.5978430989e+00 6.6540342809e+00 6.7101035873e+00 6.7660516836e+00
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6.8218792292e+00 6.8775868783e+00 6.9331752792e+00 6.9886450748e+00 7.0439969025e+00
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7.0992313943e+00 7.1543491768e+00 7.2093508713e+00 7.2642370936e+00 7.3190084546e+00
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7.3736655596e+00 7.4282090092e+00 7.4826393985e+00 7.5369573177e+00 7.5911633522e+00
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7.6452580821e+00 7.6992420827e+00 7.7531159247e+00 7.8068801736e+00 7.8605353905e+00
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7.9140821313e+00 7.9675209478e+00 8.0208523869e+00 8.0740769907e+00 8.1271952972e+00
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8.1802078396e+00 8.2331151468e+00 8.2859177433e+00 8.3386161492e+00 8.3912108803e+00
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8.4437024482e+00 8.4960913601e+00 8.5483781193e+00 8.6005632248e+00 8.6526471715e+00
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8.7046304503e+00 8.7565135480e+00 8.8082969477e+00 8.8599811283e+00 8.9115665649e+00
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8.9630537287e+00 9.0144430873e+00 9.0657351043e+00 9.1169302398e+00 9.1680289500e+00
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9.2190316875e+00 9.2699389015e+00 9.3207510373e+00 9.3714685369e+00 9.4220918388e+00
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9.4726213779e+00 9.5230575857e+00 9.5734008905e+00 9.6236517169e+00 9.6738104866e+00
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9.7238776176e+00 9.7738535250e+00 9.8237386204e+00 9.8735333125e+00 9.9232380064e+00
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9.9728531047e+00 1.0022379006e+01 1.0071816108e+01 1.0121164801e+01 1.0170425478e+01
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1.0219598524e+01 1.0268684325e+01 1.0317683261e+01 1.0366595710e+01 1.0415422050e+01
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1.0464162651e+01 1.0512817884e+01 1.0561388117e+01 1.0609873713e+01 1.0658275036e+01
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|
1.0706592443e+01 1.0754826291e+01 1.0802976934e+01 1.0851044724e+01 1.0899030008e+01
|
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1.0946933134e+01 1.0994754444e+01 1.1042494280e+01 1.1090152981e+01 1.1137730882e+01
|
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1.1185228318e+01 1.1232645620e+01 1.1279983116e+01 1.1327241135e+01 1.1374419998e+01
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1.1421520030e+01 1.1468541550e+01 1.1515484874e+01 1.1562350319e+01 1.1609138198e+01
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1.1655848820e+01 1.1702482496e+01 1.1749039531e+01 1.1795520230e+01 1.1841924895e+01
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1.1888253826e+01 1.1934507322e+01 1.1980685678e+01 1.2026789189e+01 1.2072818147e+01
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1.2118772841e+01 1.2164653560e+01 1.2210460590e+01 1.2256194214e+01 1.2301854716e+01
|
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1.2347442376e+01 1.2392957471e+01 1.2438400280e+01 1.2483771075e+01 1.2529070131e+01
|
|
1.2574297719e+01 1.2619454107e+01 1.2664539564e+01 1.2709554355e+01 1.2754498744e+01
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|
1.2799372994e+01 1.2844177364e+01 1.2888912115e+01 1.2933577503e+01 1.2978173784e+01
|
|
1.3022701211e+01 1.3067160037e+01 1.3111550512e+01 1.3155872886e+01 1.3200127406e+01
|
|
1.3244314318e+01 1.3288433866e+01 1.3332486292e+01 1.3376471839e+01 1.3420390745e+01
|
|
1.3464243249e+01 1.3508029587e+01 1.3551749995e+01 1.3595404706e+01 1.3638993953e+01
|
|
1.3682517967e+01 1.3725976976e+01 1.3769371208e+01 1.3812700891e+01 1.3855966249e+01
|
|
1.3899167507e+01 1.3942304886e+01 1.3985378607e+01 1.4028388891e+01 1.4071335955e+01
|
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1.4114220017e+01 1.4157041292e+01 1.4199799995e+01 1.4242496339e+01 1.4285130535e+01
|
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1.4327702795e+01 1.4370213327e+01 1.4412662340e+01 1.4455050041e+01 1.4497376634e+01
|
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1.4539642325e+01 1.4581847317e+01 1.4623991811e+01 1.4666076009e+01 1.4708100110e+01
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1.4750064312e+01 1.4791968813e+01 1.4833813809e+01 1.4875599494e+01 1.4917326064e+01
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1.4958993710e+01 1.5000602625e+01 1.5042152998e+01 1.5083645020e+01 1.5125078878e+01
|
|
1.5166454760e+01 1.5207772853e+01 1.5249033341e+01 1.5290236408e+01 1.5331382238e+01
|
|
1.5372471012e+01 1.5413502913e+01 1.5454478119e+01 1.5495396809e+01 1.5536259163e+01
|
|
1.5577065356e+01 1.5617815565e+01 1.5658509965e+01 1.5699148730e+01 1.5739732033e+01
|
|
1.5780260046e+01 1.5820732941e+01 1.5861150888e+01 1.5901514056e+01 1.5941822613e+01
|
|
1.5982076728e+01 1.6022276567e+01 1.6062422295e+01 1.6102514077e+01 1.6142552078e+01
|
|
1.6182536460e+01 1.6222467386e+01 1.6262345016e+01 1.6302169512e+01 1.6341941033e+01
|
|
1.6381659737e+01 1.6421325783e+01 1.6460939328e+01 1.6500500527e+01 1.6540009536e+01
|
|
1.6579466511e+01 1.6618871604e+01 1.6658224969e+01 1.6697526757e+01 1.6736777121e+01
|
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1.6775976210e+01 1.6815124176e+01 1.6854221165e+01 1.6893267328e+01 1.6932262812e+01
|
|
1.6971207762e+01 1.7010102326e+01 1.7048946648e+01 1.7087740874e+01 1.7126485146e+01
|
|
1.7165179608e+01 1.7203824402e+01 1.7242419670e+01 1.7280965553e+01 1.7319462190e+01
|
|
1.7357909722e+01 1.7396308287e+01 1.7434658023e+01 1.7472959067e+01 1.7511211557e+01
|
|
1.7549415628e+01 1.7587571416e+01 1.7625679055e+01 1.7663738679e+01 1.7701750422e+01
|
|
1.7739714417e+01 1.7777630795e+01 1.7815499687e+01 1.7853321225e+01 1.7891095539e+01
|
|
1.7928822758e+01 1.7966503011e+01 1.8004136426e+01 1.8041723131e+01 1.8079263252e+01
|
|
1.8116756917e+01 1.8154204251e+01 1.8191605379e+01 1.8228960426e+01 1.8266269515e+01
|
|
1.8303532771e+01 1.8340750315e+01 1.8377922270e+01 1.8415048758e+01 1.8452129900e+01
|
|
1.8489165815e+01 1.8526156625e+01 1.8563102449e+01 1.8600003404e+01 1.8636859611e+01
|
|
1.8673671185e+01 1.8710438245e+01 1.8747160906e+01 1.8783839286e+01 1.8820473499e+01
|
|
1.8857063660e+01 1.8893609884e+01 1.8930112285e+01 1.8966570976e+01 1.9002986071e+01
|
|
1.9039357680e+01 1.9075685917e+01 1.9111970893e+01 1.9148212718e+01 1.9184411503e+01
|
|
1.9220567357e+01 1.9256680390e+01 1.9292750711e+01 1.9328778427e+01 1.9364763648e+01
|
|
1.9400706480e+01 1.9436607030e+01 1.9472465405e+01 1.9508281710e+01 1.9544056051e+01
|
|
1.9579788533e+01 1.9615479261e+01 1.9651128338e+01 1.9686735868e+01 1.9722301954e+01
|
|
1.9757826700e+01 1.9793310207e+01 1.9828752576e+01 1.9864153910e+01 1.9899514309e+01
|
|
1.9934833874e+01 1.9970112705e+01 2.0005350901e+01 2.0040548561e+01 2.0075705785e+01
|
|
2.0110822670e+01 2.0145899315e+01 2.0180935816e+01 2.0215932272e+01 2.0250888777e+01
|
|
2.0285805430e+01 2.0320682325e+01 2.0355519558e+01 2.0390317224e+01 2.0425075417e+01
|
|
2.0459794232e+01 2.0494473762e+01 2.0529114101e+01 2.0563715342e+01 2.0598277578e+01
|
|
2.0632800899e+01 2.0667285400e+01 2.0701731170e+01 2.0736138301e+01 2.0770506884e+01
|
|
2.0804837008e+01 2.0839128764e+01 2.0873382242e+01 2.0907597530e+01 2.0941774718e+01
|
|
2.0975913893e+01 2.1010015144e+01 2.1044078559e+01 2.1078104225e+01 2.1112092228e+01
|
|
2.1146042656e+01 2.1179955595e+01 2.1213831131e+01 2.1247669349e+01 2.1281470335e+01
|
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2.1315234173e+01 2.1348960949e+01 2.1382650745e+01 2.1416303647e+01 2.1449919737e+01
|
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2.1483499100e+01 2.1517041817e+01 2.1550547971e+01 2.1584017645e+01 2.1617450920e+01
|
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2.1650847878e+01 2.1684208600e+01 2.1717533167e+01 2.1750821660e+01 2.1784074158e+01
|
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2.1817290743e+01 2.1850471493e+01 2.1883616487e+01 2.1916725805e+01 2.1949799526e+01
|
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2.1982837728e+01 2.2015840488e+01 2.2048807885e+01 2.2081739996e+01 2.2114636899e+01
|
|
2.2147498670e+01 2.2180325385e+01 2.2213117122e+01 2.2245873956e+01 2.2278595962e+01
|
|
2.2311283217e+01 2.2343935794e+01 2.2376553770e+01 2.2409137218e+01 2.2441686214e+01
|
|
2.2474200830e+01 2.2506681140e+01 2.2539127219e+01 2.2571539138e+01 2.2603916971e+01
|
|
2.2636260791e+01 2.2668570670e+01 2.2700846679e+01 2.2733088891e+01 2.2765297376e+01
|
|
2.2797472207e+01 2.2829613455e+01 2.2861721189e+01 2.2893795480e+01 2.2925836399e+01
|
|
2.2957844015e+01 2.2989818398e+01 2.3021759617e+01 2.3053667742e+01 2.3085542841e+01
|
|
2.3117384983e+01 2.3149194237e+01 2.3180970670e+01 2.3212714350e+01 2.3244425345e+01
|
|
2.3276103722e+01 2.3307749548e+01 2.3339362891e+01 2.3370943817e+01 2.3402492392e+01
|
|
2.3434008682e+01 2.3465492753e+01 2.3496944672e+01 2.3528364503e+01 2.3559752311e+01
|
|
2.3591108162e+01 2.3622432120e+01 2.3653724249e+01 2.3684984615e+01 2.3716213281e+01
|
|
2.3747410310e+01 2.3778575767e+01 2.3809709714e+01 2.3840812216e+01 2.3871883333e+01
|
|
2.3902923131e+01 2.3933931670e+01 2.3964909013e+01 2.3995855222e+01 2.4026770359e+01
|
|
2.4057654486e+01 2.4088507663e+01 2.4119329952e+01 2.4150121414e+01 2.4180882110e+01
|
|
2.4211612099e+01 2.4242311443e+01 2.4272980202e+01 2.4303618434e+01 2.4334226201e+01
|
|
2.4364803560e+01 2.4395350573e+01 2.4425867297e+01 2.4456353792e+01 2.4486810115e+01
|
|
2.4517236327e+01 2.4547632484e+01 2.4577998645e+01 2.4608334868e+01 2.4638641210e+01
|
|
2.4668917729e+01 2.4699164481e+01 2.4729381525e+01 2.4759568917e+01 2.4789726713e+01
|
|
2.4819854971e+01 2.4849953746e+01 2.4880023094e+01 2.4910063071e+01 2.4940073734e+01
|
|
2.4970055137e+01 2.5000007336e+01 2.5029930386e+01 2.5059824342e+01 2.5089689258e+01
|
|
2.5119525191e+01 2.5149332193e+01 2.5179110319e+01 2.5208859623e+01 2.5238580159e+01
|
|
2.5268271981e+01 2.5297935142e+01 2.5327569695e+01 2.5357175694e+01 2.5386753192e+01
|
|
2.5416302242e+01 2.5445822895e+01 2.5475315206e+01 2.5504779225e+01 2.5534215005e+01
|
|
2.5563622598e+01 2.5593002056e+01 2.5622353431e+01 2.5651676773e+01 2.5680972134e+01
|
|
2.5710239566e+01 2.5739479119e+01 2.5768690844e+01 2.5797874792e+01 2.5827031013e+01
|
|
2.5856159557e+01 2.5885260474e+01 2.5914333816e+01 2.5943379630e+01 2.5972397968e+01
|
|
2.6001388878e+01 2.6030352409e+01 2.6059288612e+01 2.6088197535e+01 2.6117079226e+01
|
|
2.6145933736e+01 2.6174761111e+01 2.6203561401e+01 2.6232334654e+01 2.6261080917e+01
|
|
2.6289800240e+01 2.6318492669e+01 2.6347158252e+01 2.6375797037e+01 2.6404409071e+01
|
|
2.6432994402e+01 2.6461553076e+01 2.6490085140e+01 2.6518590641e+01 2.6547069626e+01
|
|
2.6575522141e+01 2.6603948233e+01 2.6632347947e+01 2.6660721329e+01 2.6689068426e+01
|
|
2.6717389284e+01 2.6745683947e+01 2.6773952462e+01 2.6802194873e+01 2.6830411227e+01
|
|
2.6858601567e+01 2.6886765939e+01 2.6914904388e+01 2.6943016958e+01 2.6971103693e+01
|
|
2.6999164639e+01 2.7027199839e+01 2.7055209338e+01 2.7083193179e+01 2.7111151406e+01
|
|
2.7139084063e+01 2.7166991194e+01 2.7194872842e+01 2.7222729050e+01 2.7250559861e+01
|
|
2.7278365319e+01 2.7306145466e+01 2.7333900345e+01 2.7361629999e+01 2.7389334470e+01
|
|
2.7417013801e+01 2.7444668034e+01 2.7472297212e+01 2.7499901375e+01 2.7527480566e+01
|
|
2.7555034828e+01 2.7582564200e+01 2.7610068726e+01 2.7637548446e+01 2.7665003402e+01
|
|
2.7692433635e+01 2.7719839185e+01 2.7747220095e+01 2.7774576404e+01 2.7801908153e+01
|
|
2.7829215383e+01 2.7856498135e+01 2.7883756448e+01 2.7910990362e+01 2.7938199919e+01
|
|
2.7965385158e+01 2.7992546118e+01 2.8019682840e+01 2.8046795362e+01 2.8073883726e+01
|
|
2.8100947969e+01 2.8127988131e+01 2.8155004252e+01 2.8181996370e+01 2.8208964525e+01
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