mirror of https://github.com/QMCPACK/qmcpack.git
202 lines
45 KiB
Plaintext
202 lines
45 KiB
Plaintext
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec IonIon LocalECP NonLocalECP BlockWeight BlockCPU AcceptRatio
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0 -2.5023631170e+02 6.2658471954e+04 -4.1470519476e+02 1.6446888306e+02 5.6913965241e+02 4.2243052231e+02 -1.4447782869e+03 3.8502917386e+01 2.4000000000e+03 1.5650694221e+00 8.7523460961e-01
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1 -2.5031768787e+02 6.2698129995e+04 -4.1424159197e+02 1.6392390410e+02 5.6896597113e+02 4.2243052231e+02 -1.4447888116e+03 3.9150726211e+01 2.4000000000e+03 1.5504791886e+00 8.7534722222e-01
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2 -2.5053914339e+02 6.2807016831e+04 -4.1502769700e+02 1.6448855361e+02 5.6951651803e+02 4.2243052231e+02 -1.4463476487e+03 3.9372911379e+01 2.4000000000e+03 1.5530662090e+00 8.7530780781e-01
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3 -2.5049547504e+02 6.2786268234e+04 -4.1349837878e+02 1.6300290373e+02 5.6757263358e+02 4.2243052231e+02 -1.4429027947e+03 3.9401260050e+01 2.4000000000e+03 1.5572965145e+00 8.7639639640e-01
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4 -2.5051774552e+02 6.2796724158e+04 -4.1254035218e+02 1.6202260666e+02 5.6730890059e+02 4.2243052231e+02 -1.4409369780e+03 3.8657202935e+01 2.4000000000e+03 1.5468605161e+00 8.7696509009e-01
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5 -2.5020469294e+02 6.2642426723e+04 -4.1581897765e+02 1.6561428471e+02 5.6998927402e+02 4.2243052231e+02 -1.4479409346e+03 3.9702160656e+01 2.4000000000e+03 1.5547043383e+00 8.7541478979e-01
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6 -2.5054013761e+02 6.2811369680e+04 -4.1485222719e+02 1.6431208958e+02 5.6863747226e+02 4.2243052231e+02 -1.4451472241e+03 3.9227002385e+01 2.4000000000e+03 1.5527057052e+00 8.7591591592e-01
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7 -2.5053146233e+02 6.2804658507e+04 -4.1411388988e+02 1.6358242754e+02 5.6770960522e+02 4.2243052231e+02 -1.4434225209e+03 3.9168503517e+01 2.4000000000e+03 1.5483634174e+00 8.7656906907e-01
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8 -2.5067863498e+02 6.2873764741e+04 -4.1460884424e+02 1.6393020926e+02 5.6710734016e+02 4.2243052231e+02 -1.4427549242e+03 3.8608217531e+01 2.4000000000e+03 1.5426812023e+00 8.7589527027e-01
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9 -2.5044446893e+02 6.2757641070e+04 -4.1341160318e+02 1.6296713425e+02 5.6839241827e+02 4.2243052231e+02 -1.4433117585e+03 3.9077214763e+01 2.4000000000e+03 1.5428248942e+00 8.7632319820e-01
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10 -2.5030308865e+02 6.2686594408e+04 -4.1480095898e+02 1.6449787033e+02 5.6897759696e+02 4.2243052231e+02 -1.4456445864e+03 3.9435508133e+01 2.4000000000e+03 1.5407381058e+00 8.7561186186e-01
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11 -2.5052416153e+02 6.2799133320e+04 -4.1302896338e+02 1.6250480184e+02 5.6760805382e+02 4.2243052231e+02 -1.4419326247e+03 3.8865085159e+01 2.4000000000e+03 1.5420050472e+00 8.7671734234e-01
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12 -2.5038046550e+02 6.2730538791e+04 -4.1697495686e+02 1.6659449136e+02 5.6945212440e+02 4.2243052231e+02 -1.4482837591e+03 3.9426155498e+01 2.4000000000e+03 1.5463658869e+00 8.7409909910e-01
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13 -2.5020313790e+02 6.2644711881e+04 -4.1420295661e+02 1.6399981870e+02 5.6896249026e+02 4.2243052231e+02 -1.4450710206e+03 3.9475051382e+01 2.4000000000e+03 1.5422069281e+00 8.7589527027e-01
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14 -2.5035214410e+02 6.2711817868e+04 -4.1326152038e+02 1.6290937628e+02 5.6829689357e+02 4.2243052231e+02 -1.4428917875e+03 3.8902851250e+01 2.4000000000e+03 1.5419870168e+00 8.7686373874e-01
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15 -2.5075654940e+02 6.2913434343e+04 -4.1404731526e+02 1.6329076587e+02 5.6840651883e+02 4.2243052231e+02 -1.4441642402e+03 3.9279883839e+01 2.4000000000e+03 1.5421088636e+00 8.7661599099e-01
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16 -2.5067360553e+02 6.2874973112e+04 -4.1371929923e+02 1.6304569370e+02 5.6864228570e+02 4.2243052231e+02 -1.4438860763e+03 3.9093969009e+01 2.4000000000e+03 1.5388915539e+00 8.7621058559e-01
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17 -2.5025799906e+02 6.2666165266e+04 -4.1542282567e+02 1.6516482661e+02 5.6891698209e+02 4.2243052231e+02 -1.4454396489e+03 3.8669318867e+01 2.4000000000e+03 1.5414508134e+00 8.7542980480e-01
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18 -2.5064161271e+02 6.2857082589e+04 -4.1566117299e+02 1.6501956029e+02 5.6836662776e+02 4.2243052231e+02 -1.4452567816e+03 3.8798458495e+01 2.4000000000e+03 1.5369513929e+00 8.7581456456e-01
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19 -2.5052198180e+02 6.2801618320e+04 -4.1326859729e+02 1.6274661549e+02 5.6838028666e+02 4.2243052231e+02 -1.4427458589e+03 3.8666452644e+01 2.4000000000e+03 1.5331768245e+00 8.7668168168e-01
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20 -2.5039064795e+02 6.2736518537e+04 -4.1401860407e+02 1.6362795613e+02 5.6851338360e+02 4.2243052231e+02 -1.4443942908e+03 3.9431780784e+01 2.4000000000e+03 1.5390896648e+00 8.7572447447e-01
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21 -2.5038643789e+02 6.2734133836e+04 -4.1461316079e+02 1.6422672290e+02 5.6795674927e+02 4.2243052231e+02 -1.4440517158e+03 3.9051283453e+01 2.4000000000e+03 1.5382445455e+00 8.7576576577e-01
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22 -2.5038466765e+02 6.2732800927e+04 -4.1562661742e+02 1.6524194976e+02 5.6904123785e+02 4.2243052231e+02 -1.4462735087e+03 3.9175131139e+01 2.4000000000e+03 1.5390139520e+00 8.7432432432e-01
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23 -2.5051317437e+02 6.2804347198e+04 -4.1175882751e+02 1.6124565314e+02 5.6718451759e+02 4.2243052231e+02 -1.4402728610e+03 3.8898993601e+01 2.4000000000e+03 1.5343792289e+00 8.7684872372e-01
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24 -2.5051980289e+02 6.2796605797e+04 -4.1305158265e+02 1.6253177977e+02 5.6754132115e+02 4.2243052231e+02 -1.4417001557e+03 3.8676729607e+01 2.4000000000e+03 1.5349346399e+00 8.7707019520e-01
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25 -2.5047122873e+02 6.2773325597e+04 -4.1355628420e+02 1.6308505547e+02 5.6787977627e+02 4.2243052231e+02 -1.4420173512e+03 3.8150768451e+01 2.4000000000e+03 1.5357241929e+00 8.7619932432e-01
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26 -2.5033179143e+02 6.2709811248e+04 -4.1328729804e+02 1.6295550660e+02 5.6786735459e+02 4.2243052231e+02 -1.4421352252e+03 3.8550050288e+01 2.4000000000e+03 1.5327908099e+00 8.7593468468e-01
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27 -2.5078180552e+02 6.2933985747e+04 -4.1506359003e+02 1.6428178451e+02 5.6852415218e+02 4.2243052231e+02 -1.4451966530e+03 3.9178388514e+01 2.4000000000e+03 1.5357765406e+00 8.7553490991e-01
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28 -2.5043500285e+02 6.2756841171e+04 -4.1505321900e+02 1.6461821614e+02 5.6795859212e+02 4.2243052231e+02 -1.4450736878e+03 3.9631354419e+01 2.4000000000e+03 1.5356449932e+00 8.7487237237e-01
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29 -2.5028726692e+02 6.2683171612e+04 -4.1723197928e+02 1.6694471236e+02 5.7003703630e+02 4.2243052231e+02 -1.4479055859e+03 3.8206048051e+01 2.4000000000e+03 1.5430727005e+00 8.7391328829e-01
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30 -2.5053962705e+02 6.2806949732e+04 -4.1466318439e+02 1.6412355734e+02 5.6907975985e+02 4.2243052231e+02 -1.4449439299e+03 3.8770463307e+01 2.4000000000e+03 1.5416995436e+00 8.7500938438e-01
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31 -2.5019078395e+02 6.2637209876e+04 -4.1364774283e+02 1.6345695888e+02 5.6769755499e+02 4.2243052231e+02 -1.4427955222e+03 3.9019702035e+01 2.4000000000e+03 1.5440383106e+00 8.7691816817e-01
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32 -2.5049000212e+02 6.2782527853e+04 -4.1282658642e+02 1.6233658430e+02 5.6677488802e+02 4.2243052231e+02 -1.4408989021e+03 3.8866905323e+01 2.4000000000e+03 1.5381212234e+00 8.7645457958e-01
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33 -2.5027543690e+02 6.2683694758e+04 -4.1609225987e+02 1.6581682297e+02 5.6923126333e+02 4.2243052231e+02 -1.4467008916e+03 3.8946846091e+01 2.4000000000e+03 1.5415716022e+00 8.7528153153e-01
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34 -2.5040813166e+02 6.2743799704e+04 -4.1354271349e+02 1.6313458183e+02 5.6774403571e+02 4.2243052231e+02 -1.4433322964e+03 3.9615024851e+01 2.4000000000e+03 1.5413114429e+00 8.7594594595e-01
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35 -2.5060387116e+02 6.2839011305e+04 -4.1559554590e+02 1.6499167475e+02 5.6832171188e+02 4.2243052231e+02 -1.4456691802e+03 3.9321400152e+01 2.4000000000e+03 1.5417527407e+00 8.7595720721e-01
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36 -2.5010237009e+02 6.2590666758e+04 -4.1463241540e+02 1.6453004531e+02 5.6890550298e+02 4.2243052231e+02 -1.4456411374e+03 3.9672696711e+01 2.4000000000e+03 1.5432735980e+00 8.7559684685e-01
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37 -2.5039525093e+02 6.2736961591e+04 -4.1588145472e+02 1.6548620380e+02 5.6992780870e+02 4.2243052231e+02 -1.4473297319e+03 3.9089946200e+01 2.4000000000e+03 1.5407176018e+00 8.7414039039e-01
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38 -2.5037155273e+02 6.2723247398e+04 -4.1516721361e+02 1.6479566088e+02 5.6916871030e+02 4.2243052231e+02 -1.4469155454e+03 4.0149099190e+01 2.4000000000e+03 1.5478340238e+00 8.7472597598e-01
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39 -2.5016294126e+02 6.2624006372e+04 -4.1354366298e+02 1.6338072171e+02 5.6841482243e+02 4.2243052231e+02 -1.4439564508e+03 3.9567443135e+01 2.4000000000e+03 1.5412562191e+00 8.7556306306e-01
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40 -2.5020847030e+02 6.2646073833e+04 -4.1465060340e+02 1.6444213310e+02 5.6859555608e+02 4.2243052231e+02 -1.4436659976e+03 3.7989315814e+01 2.4000000000e+03 1.5487866998e+00 8.7511636637e-01
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41 -2.5042664444e+02 6.2755391668e+04 -4.1277152211e+02 1.6234487767e+02 5.6752240062e+02 4.2243052231e+02 -1.4417649462e+03 3.9040501213e+01 2.4000000000e+03 1.5505419374e+00 8.7597972973e-01
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42 -2.5059624312e+02 6.2839193154e+04 -4.1364903250e+02 1.6305278938e+02 5.6805540941e+02 4.2243052231e+02 -1.4441373352e+03 4.0002370953e+01 2.4000000000e+03 1.5522918403e+00 8.7652027027e-01
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43 -2.5042875030e+02 6.2753653770e+04 -4.1214285975e+02 1.6171410945e+02 5.6691806037e+02 4.2243052231e+02 -1.4394617407e+03 3.7970298244e+01 2.4000000000e+03 1.5510185510e+00 8.7728415916e-01
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44 -2.5035389150e+02 6.2714912044e+04 -4.1276727134e+02 1.6241337984e+02 5.6630154620e+02 4.2243052231e+02 -1.4407305588e+03 3.9231218948e+01 2.4000000000e+03 1.5461177081e+00 8.7694256757e-01
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45 -2.5047487618e+02 6.2774253826e+04 -4.1533831301e+02 1.6486343682e+02 5.6853844307e+02 4.2243052231e+02 -1.4454320471e+03 3.9124768690e+01 2.4000000000e+03 1.5534798056e+00 8.7550487988e-01
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46 -2.5041853873e+02 6.2746212283e+04 -4.1437210137e+02 1.6395356264e+02 5.6884662472e+02 4.2243052231e+02 -1.4447224266e+03 3.9073178196e+01 2.4000000000e+03 1.5532914251e+00 8.7618806306e-01
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47 -2.5046706725e+02 6.2771307744e+04 -4.1574028784e+02 1.6527322059e+02 5.6990912585e+02 4.2243052231e+02 -1.4472110225e+03 3.9131086471e+01 2.4000000000e+03 1.5528319180e+00 8.7469969970e-01
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48 -2.5040618073e+02 6.2739708648e+04 -4.1428366671e+02 1.6387748598e+02 5.6830714221e+02 4.2243052231e+02 -1.4448237013e+03 3.9802370105e+01 2.4000000000e+03 1.5528252721e+00 8.7570570571e-01
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49 -2.5028136235e+02 6.2678943800e+04 -4.1307231927e+02 1.6279095693e+02 5.6886949797e+02 4.2243052231e+02 -1.4433992775e+03 3.9026937937e+01 2.4000000000e+03 1.5504573286e+00 8.7637199700e-01
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50 -2.5064215824e+02 6.2856553310e+04 -4.1532140747e+02 1.6467924923e+02 5.6872728507e+02 4.2243052231e+02 -1.4454312484e+03 3.8952033598e+01 2.4000000000e+03 1.5516301841e+00 8.7556493994e-01
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51 -2.5044699141e+02 6.2761560288e+04 -4.1566202881e+02 1.6521503740e+02 5.7008177998e+02 4.2243052231e+02 -1.4474759992e+03 3.9301668094e+01 2.4000000000e+03 1.5518225878e+00 8.7449324324e-01
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52 -2.5063743720e+02 6.2853904418e+04 -4.1579325746e+02 1.6515582026e+02 5.6906781634e+02 4.2243052231e+02 -1.4467106172e+03 3.9419021147e+01 2.4000000000e+03 1.5573864728e+00 8.7505442943e-01
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53 -2.5013064192e+02 6.2604716765e+04 -4.1427797282e+02 1.6414733090e+02 5.6940516135e+02 4.2243052231e+02 -1.4454060001e+03 3.9292343612e+01 2.4000000000e+03 1.5532426685e+00 8.7622560060e-01
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54 -2.5052483867e+02 6.2802678591e+04 -4.1522251224e+02 1.6469767357e+02 5.6881307292e+02 4.2243052231e+02 -1.4453696376e+03 3.8903530125e+01 2.4000000000e+03 1.5543460697e+00 8.7543355856e-01
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55 -2.5060571004e+02 6.2840828187e+04 -4.1427131523e+02 1.6366560519e+02 5.6891850776e+02 4.2243052231e+02 -1.4453943390e+03 3.9773993717e+01 2.4000000000e+03 1.5538329482e+00 8.7596471471e-01
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56 -2.5025632106e+02 6.2665054536e+04 -4.1442752394e+02 1.6417120287e+02 5.6954025946e+02 4.2243052231e+02 -1.4451945622e+03 3.8796256500e+01 2.4000000000e+03 1.5527119190e+00 8.7539039039e-01
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57 -2.5028397551e+02 6.2682475304e+04 -4.1475769412e+02 1.6447371861e+02 5.6954690698e+02 4.2243052231e+02 -1.4465089582e+03 3.9773834835e+01 2.4000000000e+03 1.5546274036e+00 8.7545232733e-01
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58 -2.5053603984e+02 6.2801152591e+04 -4.1314912903e+02 1.6261308919e+02 5.6737823969e+02 4.2243052231e+02 -1.4411470700e+03 3.8189179009e+01 2.4000000000e+03 1.5515671521e+00 8.7647147147e-01
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59 -2.5039434553e+02 6.2735876925e+04 -4.1281961996e+02 1.6242527443e+02 5.6791357482e+02 4.2243052231e+02 -1.4423447504e+03 3.9181033297e+01 2.4000000000e+03 1.5534140617e+00 8.7658596096e-01
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60 -2.5059683299e+02 6.2841059968e+04 -4.1328327697e+02 1.6268644398e+02 5.6784052419e+02 4.2243052231e+02 -1.4419888842e+03 3.8434560699e+01 2.4000000000e+03 1.5462730080e+00 8.7716966967e-01
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61 -2.5044326274e+02 6.2761557839e+04 -4.1358317553e+02 1.6313991279e+02 5.6879950086e+02 4.2243052231e+02 -1.4436483444e+03 3.8835145730e+01 2.4000000000e+03 1.5511217117e+00 8.7561561562e-01
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62 -2.5066084533e+02 6.2872556486e+04 -4.1372086420e+02 1.6306001887e+02 5.6895666087e+02 4.2243052231e+02 -1.4442118164e+03 3.9103769010e+01 2.4000000000e+03 1.5509874970e+00 8.7653716216e-01
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63 -2.5041133404e+02 6.2740823063e+04 -4.1426605284e+02 1.6385471880e+02 5.6933887714e+02 4.2243052231e+02 -1.4454285937e+03 3.9393141406e+01 2.4000000000e+03 1.5537175536e+00 8.7574699700e-01
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64 -2.5039704820e+02 6.2737568058e+04 -4.1434138115e+02 1.6394433296e+02 5.6929454897e+02 4.2243052231e+02 -1.4462670014e+03 4.0200548985e+01 2.4000000000e+03 1.5513471663e+00 8.7545608108e-01
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65 -2.5039553598e+02 6.2742517909e+04 -4.1335093884e+02 1.6295540286e+02 5.6664215098e+02 4.2243052231e+02 -1.4415821787e+03 3.9158566535e+01 2.4000000000e+03 1.5472903401e+00 8.7676989489e-01
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66 -2.5022323045e+02 6.2650473367e+04 -4.1658070562e+02 1.6635747517e+02 5.6977662439e+02 4.2243052231e+02 -1.4477149200e+03 3.8927067642e+01 2.4000000000e+03 1.5546381325e+00 8.7467342342e-01
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67 -2.5031489655e+02 6.2696439259e+04 -4.1364158660e+02 1.6332669004e+02 5.6823521787e+02 4.2243052231e+02 -1.4433199491e+03 3.9012622295e+01 2.4000000000e+03 1.5524452776e+00 8.7621621622e-01
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68 -2.5065442078e+02 6.2863088008e+04 -4.1446101526e+02 1.6380659448e+02 5.6880914971e+02 4.2243052231e+02 -1.4455624571e+03 3.9861769828e+01 2.4000000000e+03 1.5517068803e+00 8.7483108108e-01
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69 -2.5078219689e+02 6.2925615311e+04 -4.1285492098e+02 1.6207272410e+02 5.6629317505e+02 4.2243052231e+02 -1.4395661416e+03 3.7987523243e+01 2.4000000000e+03 1.5523752868e+00 8.7663851351e-01
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70 -2.5025562843e+02 6.2668740790e+04 -4.1317224297e+02 1.6291661454e+02 5.6750271741e+02 4.2243052231e+02 -1.4412846708e+03 3.8179188111e+01 2.4000000000e+03 1.5501026660e+00 8.7691441441e-01
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71 -2.5071974888e+02 6.2900239336e+04 -4.1482047233e+02 1.6410072345e+02 5.6811989293e+02 4.2243052231e+02 -1.4446066144e+03 3.9235726800e+01 2.4000000000e+03 1.5511359125e+00 8.7578265766e-01
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