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 -1.3760882485e+02 1.8940679056e+04 -2.4626042517e+02 1.0865160031e+02 2.5993864839e+01 -6.5010265299e+01 -2.0835192468e+02 1.1078999751e+00 8.8450000000e+04 1.2624162215e+00 9.8451994998e-01
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1 -1.3771216688e+02 1.8969267690e+04 -2.4684678429e+02 1.0913461741e+02 2.5847694807e+01 -6.5010265299e+01 -2.0851938892e+02 8.3517511999e-01 8.7938000000e+04 1.2170768140e+00 9.8445796136e-01
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2 -1.3776809107e+02 1.8984552278e+04 -2.4704350116e+02 1.0927541009e+02 2.5747398435e+01 -6.5010265299e+01 -2.0869032245e+02 9.0968815765e-01 8.6608000000e+04 1.2191641081e+00 9.8445327377e-01
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3 -1.3777121181e+02 1.8985363559e+04 -2.4700491506e+02 1.0923370325e+02 2.5753810967e+01 -6.5010265299e+01 -2.0879479132e+02 1.0463305944e+00 8.5899000000e+04 1.2141259935e+00 9.8449192147e-01
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4 -1.3777843965e+02 1.8987323518e+04 -2.4711514386e+02 1.0933670421e+02 2.5676009420e+01 -6.5010265299e+01 -2.0867407054e+02 8.9318255482e-01 8.4776000000e+04 1.2113999836e+00 9.8431999169e-01
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5 -1.3780154680e+02 1.8993841147e+04 -2.4718855492e+02 1.0938700812e+02 2.5601588359e+01 -6.5010265299e+01 -2.0852398544e+02 7.4410745490e-01 8.4309000000e+04 1.2023570939e+00 9.8428070891e-01
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6 -1.3779545298e+02 1.8992708567e+04 -2.4696940804e+02 1.0917395505e+02 2.5432043113e+01 -6.5010265299e+01 -2.0826128720e+02 8.7010135174e-01 8.3806000000e+04 1.1918374627e+00 9.8447348815e-01
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7 -1.3780872473e+02 1.8995643534e+04 -2.4659290085e+02 1.0878417612e+02 2.5384895260e+01 -6.5010265299e+01 -2.0790513405e+02 9.3760324276e-01 8.3223000000e+04 1.1902944534e+00 9.8445566637e-01
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8 -1.3779638571e+02 1.8992277229e+04 -2.4647279706e+02 1.0867641135e+02 2.5453854220e+01 -6.5010265299e+01 -2.0794197386e+02 1.0255878818e+00 8.2850000000e+04 1.1796243588e+00 9.8456760393e-01
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9 -1.3778501523e+02 1.8989125373e+04 -2.4671414979e+02 1.0892913456e+02 2.5465289217e+01 -6.5010265299e+01 -2.0812430061e+02 9.5512689948e-01 8.2697000000e+04 1.1759943556e+00 9.8461699314e-01
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10 -1.3779302164e+02 1.8991290619e+04 -2.4701212428e+02 1.0921910264e+02 2.5497832424e+01 -6.5010265299e+01 -2.0844022204e+02 9.4053063097e-01 8.2706000000e+04 1.2408564241e+00 9.8440986199e-01
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11 -1.3782666065e+02 1.9000552900e+04 -2.4706070164e+02 1.0923404098e+02 2.5512391769e+01 -6.5010265299e+01 -2.0850719380e+02 9.4436568932e-01 8.2465000000e+04 1.1692704611e+00 9.8455281884e-01
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12 -1.3779394490e+02 1.8991686090e+04 -2.4724792006e+02 1.0945397516e+02 2.5664199511e+01 -6.5010265299e+01 -2.0882367141e+02 9.2181714362e-01 8.1808000000e+04 1.1275700728e+00 9.8461346774e-01
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13 -1.3779995942e+02 1.8993249860e+04 -2.4724887579e+02 1.0944891637e+02 2.5595525456e+01 -6.5010265299e+01 -2.0864049115e+02 8.0635519849e-01 8.1911000000e+04 1.1173248250e+00 9.8435566561e-01
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14 -1.3780427871e+02 1.8994641542e+04 -2.4749663099e+02 1.0969235228e+02 2.5629649402e+01 -6.5010265299e+01 -2.0881857538e+02 7.0256028797e-01 8.1866000000e+04 1.1350125958e+00 9.8420513195e-01
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15 -1.3779794464e+02 1.8992730947e+04 -2.4732319927e+02 1.0952525463e+02 2.5496120882e+01 -6.5010265299e+01 -2.0848028034e+02 6.7122548298e-01 8.1534000000e+04 1.0957517444e+00 9.8443835150e-01
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16 -1.3780666429e+02 1.8995174404e+04 -2.4683723711e+02 1.0903057282e+02 2.5395695447e+01 -6.5010265299e+01 -2.0810946837e+02 8.8680110922e-01 8.1046000000e+04 1.0900333491e+00 9.8443019442e-01
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17 -1.3781979887e+02 1.8998739727e+04 -2.4697394022e+02 1.0915414135e+02 2.5417810158e+01 -6.5010265299e+01 -2.0820461660e+02 8.2313152317e-01 8.1805000000e+04 1.1057472313e+00 9.8442284548e-01
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18 -1.3779261605e+02 1.8991286957e+04 -2.4704360955e+02 1.0925099350e+02 2.5468244570e+01 -6.5010265299e+01 -2.0824170886e+02 7.4012004272e-01 8.1825000000e+04 1.1170430314e+00 9.8442031650e-01
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19 -1.3780167756e+02 1.8993891761e+04 -2.4714668531e+02 1.0934500775e+02 2.5520944374e+01 -6.5010265299e+01 -2.0834773695e+02 6.9037256346e-01 8.1236000000e+04 1.0978304890e+00 9.8435092175e-01
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20 -1.3779810299e+02 1.8992759560e+04 -2.4696853084e+02 1.0917042786e+02 2.5482831445e+01 -6.5010265299e+01 -2.0832130186e+02 8.8020486736e-01 8.0975000000e+04 1.1499034040e+00 9.8440899868e-01
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21 -1.3778736488e+02 1.8989821322e+04 -2.4694712821e+02 1.0915976333e+02 2.5515284690e+01 -6.5010265299e+01 -2.0825462722e+02 8.0247961280e-01 8.0948000000e+04 1.0921311686e+00 9.8442535896e-01
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22 -1.3779582531e+02 1.8992317025e+04 -2.4687467512e+02 1.0907884980e+02 2.5492611351e+01 -6.5010265299e+01 -2.0808552010e+02 7.2849893242e-01 8.0856000000e+04 1.0958674780e+00 9.8442771745e-01
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23 -1.3780844150e+02 1.8995675262e+04 -2.4686538959e+02 1.0905694809e+02 2.5500445936e+01 -6.5010265299e+01 -2.0825393257e+02 8.9836234085e-01 8.0268000000e+04 1.0841539497e+00 9.8443133619e-01
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24 -1.3782042652e+02 1.8998903214e+04 -2.4695396888e+02 1.0913354236e+02 2.5553600644e+01 -6.5010265299e+01 -2.0840846533e+02 9.1116110201e-01 8.0612000000e+04 1.0909643914e+00 9.8450609279e-01
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25 -1.3779593800e+02 1.8992264171e+04 -2.4688521441e+02 1.0908927641e+02 2.5602941072e+01 -6.5010265299e+01 -2.0845310821e+02 9.7521802774e-01 8.0721000000e+04 1.0895855951e+00 9.8450326273e-01
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26 -1.3781639721e+02 1.8997779797e+04 -2.4706384868e+02 1.0924745147e+02 2.5625905423e+01 -6.5010265299e+01 -2.0852692563e+02 8.4743683129e-01 8.0490000000e+04 1.0899442718e+00 9.8448990938e-01
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27 -1.3781941911e+02 1.8998643289e+04 -2.4692134341e+02 1.0910192429e+02 2.5579545211e+01 -6.5010265299e+01 -2.0828565502e+02 7.9503170504e-01 8.0779000000e+04 1.0925669939e+00 9.8439267476e-01
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28 -1.3779594133e+02 1.8992344905e+04 -2.4683688802e+02 1.0904094669e+02 2.5493613344e+01 -6.5010265299e+01 -2.0818743029e+02 8.6719422669e-01 8.1195000000e+04 1.0954109478e+00 9.8449656696e-01
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29 -1.3782713715e+02 1.9000825736e+04 -2.4707825063e+02 1.0925111348e+02 2.5506706260e+01 -6.5010265299e+01 -2.0833613313e+02 7.6144153965e-01 8.1250000000e+04 1.0937276635e+00 9.8430206185e-01
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30 -1.3780276324e+02 1.8994075030e+04 -2.4680345272e+02 1.0900068948e+02 2.5638027522e+01 -6.5010265299e+01 -2.0838026977e+02 9.4905482704e-01 8.1040000000e+04 1.1468815847e+00 9.8442062739e-01
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31 -1.3782125110e+02 1.8999236015e+04 -2.4671749578e+02 1.0889624468e+02 2.5624964923e+01 -6.5010265299e+01 -2.0829811499e+02 9.6591959139e-01 8.0775000000e+04 1.0936893214e+00 9.8454542056e-01
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32 -1.3781129619e+02 1.8996490041e+04 -2.4675902329e+02 1.0894772710e+02 2.5543115957e+01 -6.5010265299e+01 -2.0817919546e+02 8.8732151187e-01 8.0953000000e+04 1.0928700752e+00 9.8455588814e-01
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33 -1.3782556161e+02 1.9000258508e+04 -2.4685088990e+02 1.0902532829e+02 2.5498428513e+01 -6.5010265299e+01 -2.0813477546e+02 7.9572234946e-01 8.1044000000e+04 1.0937494250e+00 9.8455110017e-01
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34 -1.3782699237e+02 1.9000764497e+04 -2.4704807166e+02 1.0922107929e+02 2.5544886972e+01 -6.5010265299e+01 -2.0845605586e+02 8.7336252992e-01 8.0981000000e+04 1.0870577552e+00 9.8440648334e-01
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35 -1.3784610372e+02 1.9005949102e+04 -2.4706624923e+02 1.0922014551e+02 2.5502426781e+01 -6.5010265299e+01 -2.0840335049e+02 8.4493977491e-01 8.1230000000e+04 1.0957043526e+00 9.8437362629e-01
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36 -1.3784576368e+02 1.9005870156e+04 -2.4711639851e+02 1.0927063482e+02 2.5482491261e+01 -6.5010265299e+01 -2.0844173529e+02 8.5311082515e-01 8.1600000000e+04 1.1000866639e+00 9.8449382382e-01
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37 -1.3782489707e+02 1.9000171807e+04 -2.4702337805e+02 1.0919848098e+02 2.5478680052e+01 -6.5010265299e+01 -2.0834068716e+02 8.4889435748e-01 8.2369000000e+04 1.1506878038e+00 9.8448145000e-01
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38 -1.3781474541e+02 1.8997254761e+04 -2.4682816593e+02 1.0901342053e+02 2.5561734926e+01 -6.5010265299e+01 -2.0833772661e+02 9.5809105243e-01 8.3131000000e+04 1.1767440399e+00 9.8438059988e-01
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39 -1.3782169465e+02 1.8999308849e+04 -2.4710213793e+02 1.0928044329e+02 2.5517930403e+01 -6.5010265299e+01 -2.0831201229e+02 7.0220925525e-01 8.3334000000e+04 1.1854020106e+00 9.8442688706e-01
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40 -1.3785267302e+02 1.9007807653e+04 -2.4671567465e+02 1.0886300163e+02 2.5468558947e+01 -6.5010265299e+01 -2.0814392921e+02 9.6996091255e-01 8.3141000000e+04 1.2405948769e+00 9.8451762918e-01
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41 -1.3783333493e+02 1.9002477087e+04 -2.4665415107e+02 1.0882081614e+02 2.5482124138e+01 -6.5010265299e+01 -2.0790540432e+02 7.7939441697e-01 8.3323000000e+04 1.1767695192e+00 9.8449698631e-01
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42 -1.3781564511e+02 1.8997645287e+04 -2.4710793436e+02 1.0929228925e+02 2.5527454432e+01 -6.5010265299e+01 -2.0835872838e+02 7.3360488593e-01 8.3485000000e+04 1.1917344531e+00 9.8440648905e-01
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43 -1.3780663892e+02 1.8995108031e+04 -2.4659286878e+02 1.0878622986e+02 2.5397838111e+01 -6.5010265299e+01 -2.0799442582e+02 1.0139842347e+00 8.2783000000e+04 1.1710838029e+00 9.8455008914e-01
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44 -1.3781117477e+02 1.8996444778e+04 -2.4680297762e+02 1.0899180285e+02 2.5484302930e+01 -6.5010265299e+01 -2.0825290601e+02 9.7589075505e-01 8.3070000000e+04 1.1810020329e+00 9.8454701989e-01
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45 -1.3781932790e+02 1.8998626955e+04 -2.4707338877e+02 1.0925406087e+02 2.5457207597e+01 -6.5010265299e+01 -2.0840267395e+02 8.8234287677e-01 8.3105000000e+04 1.1852941668e+00 9.8449203389e-01
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46 -1.3782587306e+02 1.9000367329e+04 -2.4698612175e+02 1.0916024869e+02 2.5442646636e+01 -6.5010265299e+01 -2.0825127520e+02 8.3277211883e-01 8.2694000000e+04 1.1806017235e+00 9.8447640563e-01
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47 -1.3780367681e+02 1.8994277783e+04 -2.4693323412e+02 1.0912955730e+02 2.5498338514e+01 -6.5010265299e+01 -2.0828153794e+02 8.6023060511e-01 8.2319000000e+04 1.1662310245e+00 9.8444389118e-01
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48 -1.3782280828e+02 1.8999600536e+04 -2.4689829215e+02 1.0907548387e+02 2.5475141277e+01 -6.5010265299e+01 -2.0828971063e+02 9.2654250409e-01 8.1908000000e+04 1.1350098413e+00 9.8448611461e-01
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49 -1.3782612398e+02 1.9000452198e+04 -2.4715394308e+02 1.0932781910e+02 2.5475121406e+01 -6.5010265299e+01 -2.0839802049e+02 7.7922130569e-01 8.1957000000e+04 1.1269599088e+00 9.8437229512e-01
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50 -1.3784165069e+02 1.9004734011e+04 -2.4710445118e+02 1.0926280049e+02 2.5473579797e+01 -6.5010265299e+01 -2.0838525333e+02 8.1748765141e-01 8.2057000000e+04 1.2062573009e+00 9.8447926269e-01
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51 -1.3782455334e+02 1.8999986923e+04 -2.4690012242e+02 1.0907556908e+02 2.5408863052e+01 -6.5010265299e+01 -2.0824282007e+02 9.4409990305e-01 8.2070000000e+04 1.1386809053e+00 9.8443931617e-01
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52 -1.3782660426e+02 1.9000578644e+04 -2.4686484449e+02 1.0903824024e+02 2.5364101171e+01 -6.5010265299e+01 -2.0808589829e+02 8.6721792102e-01 8.1686000000e+04 1.1129892976e+00 9.8447350812e-01
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53 -1.3781827491e+02 1.8998416985e+04 -2.4687548387e+02 1.0905720897e+02 2.5389463861e+01 -6.5010265299e+01 -2.0807349398e+02 8.1881154737e-01 8.1373000000e+04 1.0926161928e+00 9.8447332718e-01
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54 -1.3782331715e+02 1.8999668392e+04 -2.4674206441e+02 1.0891874725e+02 2.5412497785e+01 -6.5010265299e+01 -2.0814197539e+02 9.9767849848e-01 8.1658000000e+04 1.1037085408e+00 9.8451935888e-01
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55 -1.3781540479e+02 1.8997487712e+04 -2.4687864711e+02 1.0906324232e+02 2.5423607714e+01 -6.5010265299e+01 -2.0818472667e+02 8.9273714909e-01 8.2393000000e+04 1.1631011264e+00 9.8442580697e-01
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56 -1.3781905755e+02 1.8998582230e+04 -2.4715069018e+02 1.0933163262e+02 2.5515521586e+01 -6.5010265299e+01 -2.0846876161e+02 8.1281514541e-01 8.2174000000e+04 1.1617504758e+00 9.8440276697e-01
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57 -1.3781358166e+02 1.8997168495e+04 -2.4703381937e+02 1.0922023771e+02 2.5392186835e+01 -6.5010265299e+01 -2.0836241615e+02 9.4667525025e-01 8.1800000000e+04 1.1165234076e+00 9.8441113760e-01
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58 -1.3782439936e+02 1.9000046256e+04 -2.4693415103e+02 1.0910975166e+02 2.5517728907e+01 -6.5010265299e+01 -2.0831323818e+02 8.7162354467e-01 8.1488000000e+04 1.0875824867e+00 9.8441092350e-01
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59 -1.3781104525e+02 1.8996260447e+04 -2.4702687708e+02 1.0921583183e+02 2.5541341621e+01 -6.5010265299e+01 -2.0839084428e+02 8.3289087921e-01 8.1247000000e+04 1.0915007479e+00 9.8444421884e-01
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60 -1.3780802851e+02 1.8995684156e+04 -2.4694867039e+02 1.0914064188e+02 2.5482709015e+01 -6.5010265299e+01 -2.0823397925e+02 8.1286514414e-01 8.0971000000e+04 1.1502655863e+00 9.8455155272e-01
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61 -1.3781989853e+02 1.8998875334e+04 -2.4689368747e+02 1.0907378893e+02 2.5415352546e+01 -6.5010265299e+01 -2.0816816211e+02 8.6938739825e-01 8.1076000000e+04 1.0976013610e+00 9.8453143145e-01
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62 -1.3782261522e+02 1.8999581051e+04 -2.4679114107e+02 1.0896852585e+02 2.5451574137e+01 -6.5010265299e+01 -2.0813761965e+02 9.0516974007e-01 8.0807000000e+04 1.0861345398e+00 9.8452132191e-01
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63 -1.3782894167e+02 1.9001304216e+04 -2.4695675572e+02 1.0912781405e+02 2.5508539332e+01 -6.5010265299e+01 -2.0832703162e+02 8.7200186348e-01 8.0971000000e+04 1.0924886007e+00 9.8441662505e-01
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64 -1.3781718541e+02 1.8998413964e+04 -2.4711140794e+02 1.0929422253e+02 2.5443372187e+01 -6.5010265299e+01 -2.0832674506e+02 7.8223023310e-01 8.1354000000e+04 1.0972111915e+00 9.8432272883e-01
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65 -1.3782250899e+02 1.8999641464e+04 -2.4711631333e+02 1.0929380434e+02 2.5454027827e+01 -6.5010265299e+01 -2.0839137498e+02 8.3129911810e-01 8.1604000000e+04 1.0945605701e+00 9.8440958092e-01
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66 -1.3782539583e+02 1.9000264729e+04 -2.4707389340e+02 1.0924849757e+02 2.5391950497e+01 -6.5010265299e+01 -2.0826625512e+02 8.1067652193e-01 8.1910000000e+04 1.1152010970e+00 9.8440081787e-01
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67 -1.3780073327e+02 1.8993526101e+04 -2.4691157966e+02 1.0911084638e+02 2.5457014218e+01 -6.5010265299e+01 -2.0821818959e+02 8.5986101495e-01 8.1398000000e+04 1.0963056204e+00 9.8443056417e-01
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68 -1.3779952614e+02 1.8993428495e+04 -2.4706624137e+02 1.0926671522e+02 2.5493174838e+01 -6.5010265299e+01 -2.0842323372e+02 8.7408281297e-01 8.1782000000e+04 1.1143984220e+00 9.8435927700e-01
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69 -1.3781595968e+02 1.8997705731e+04 -2.4676586342e+02 1.0894990374e+02 2.5407583108e+01 -6.5010265299e+01 -2.0802243934e+02 8.5925810577e-01 8.2217000000e+04 1.1667794333e+00 9.8447958553e-01
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