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 -2.5099759626e+02 6.3030694884e+04 -4.1096812771e+02 1.5997053145e+02 5.6814822137e+02 4.2243049172e+02 -1.4389962405e+03 3.7449399672e+01 2.4000000000e+02 1.5680398047e-01 8.7727102102e-01
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1 -2.5101998701e+02 6.3044904749e+04 -4.1595345203e+02 1.6493346502e+02 5.6961823079e+02 4.2243049172e+02 -1.4472408242e+03 3.9238649665e+01 2.4000000000e+02 1.5340881050e-01 8.7727102102e-01
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2 -2.5089494647e+02 6.2980968759e+04 -4.0887285451e+02 1.5797790804e+02 5.6925716801e+02 4.2243049172e+02 -1.4407808222e+03 4.0220307960e+01 2.4000000000e+02 1.5339136124e-01 8.7730855856e-01
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3 -2.5108776683e+02 6.3075974139e+04 -4.1221449310e+02 1.6112672627e+02 5.6834429595e+02 4.2243049172e+02 -1.4400398101e+03 3.7050529286e+01 2.4000000000e+02 1.4970576763e-01 8.7969219219e-01
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4 -2.5144781822e+02 6.3258267402e+04 -4.1335027043e+02 1.6190245221e+02 5.6661463591e+02 4.2243049172e+02 -1.4420360167e+03 3.9640618634e+01 2.4000000000e+02 1.5319843590e-01 8.7727102102e-01
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5 -2.5080234155e+02 6.2940826355e+04 -4.0899241679e+02 1.5819007524e+02 5.6382602806e+02 4.2243049172e+02 -1.4353812452e+03 4.0132308651e+01 2.4000000000e+02 1.5312337875e-01 8.7856606607e-01
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6 -2.5010286717e+02 6.2596902736e+04 -4.1025450922e+02 1.6015164206e+02 5.6713973015e+02 4.2243049172e+02 -1.4399621231e+03 4.0137392051e+01 2.4000000000e+02 1.5214310586e-01 8.7736486486e-01
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7 -2.4989582041e+02 6.2494946286e+04 -4.0908961940e+02 1.5919379898e+02 5.6797638128e+02 4.2243049172e+02 -1.4386881786e+03 3.9191686201e+01 2.4000000000e+02 1.5395137668e-01 8.7879129129e-01
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8 -2.5025381478e+02 6.2659192221e+04 -4.1334103258e+02 1.6308721780e+02 5.6528287964e+02 4.2243049172e+02 -1.4386039117e+03 3.7549507794e+01 2.4000000000e+02 1.5092256665e-01 8.7712087087e-01
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9 -2.5050845621e+02 6.2784650447e+04 -4.1615421284e+02 1.6564575663e+02 5.6738909174e+02 4.2243049172e+02 -1.4441852540e+03 3.8211457660e+01 2.4000000000e+02 1.5582095087e-01 8.7730855856e-01
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10 -2.5110147438e+02 6.3083001962e+04 -4.1836359358e+02 1.6726211920e+02 5.7011449334e+02 4.2243049172e+02 -1.4518467063e+03 4.0938127680e+01 2.4000000000e+02 1.5207511187e-01 8.7451201201e-01
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11 -2.5009622847e+02 6.2577830290e+04 -4.0964168050e+02 1.5954545203e+02 5.6703140327e+02 4.2243049172e+02 -1.4358358610e+03 3.6732285538e+01 2.4000000000e+02 1.5063361824e-01 8.7712087087e-01
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12 -2.5042476347e+02 6.2756711214e+04 -4.1300955520e+02 1.6258479173e+02 5.6652340533e+02 4.2243049172e+02 -1.4410405316e+03 3.9077079348e+01 2.4000000000e+02 1.5277834237e-01 8.7588213213e-01
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13 -2.5105135223e+02 6.3056134598e+04 -4.1798736279e+02 1.6693601056e+02 5.6838316212e+02 4.2243049172e+02 -1.4477075625e+03 3.8906545862e+01 2.4000000000e+02 1.5326312184e-01 8.7370495495e-01
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14 -2.5029469309e+02 6.2681892523e+04 -4.1411218979e+02 1.6381749669e+02 5.6682021644e+02 4.2243049172e+02 -1.4419071654e+03 3.8544267491e+01 2.4000000000e+02 1.5072917938e-01 8.7777777778e-01
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15 -2.5040727604e+02 6.2737584115e+04 -4.1769469840e+02 1.6728742235e+02 5.7046330292e+02 4.2243049172e+02 -1.4499116831e+03 3.9323190105e+01 2.4000000000e+02 1.5155687928e-01 8.7421171171e-01
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16 -2.4964734469e+02 6.2373901056e+04 -4.1135215547e+02 1.6170481078e+02 5.6984421484e+02 4.2243049172e+02 -1.4418922182e+03 3.8265356190e+01 2.4000000000e+02 1.5129905939e-01 8.7379879880e-01
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17 -2.5029131411e+02 6.2692316834e+04 -4.0785947520e+02 1.5756816110e+02 5.6445136447e+02 4.2243049172e+02 -1.4361285950e+03 4.1387263584e+01 2.4000000000e+02 1.5156875551e-01 8.7727102102e-01
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18 -2.5063227232e+02 6.2851148014e+04 -4.1308822792e+02 1.6245595560e+02 5.6621650314e+02 4.2243049172e+02 -1.4415114493e+03 3.9776226505e+01 2.4000000000e+02 1.5261501074e-01 8.7391141141e-01
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19 -2.5076388109e+02 6.2923269228e+04 -4.1723838693e+02 1.6647450584e+02 5.7034877238e+02 4.2243049172e+02 -1.4511780721e+03 4.1160421090e+01 2.4000000000e+02 1.5637537837e-01 8.7610735736e-01
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20 -2.5068831732e+02 6.2883339575e+04 -4.1499836101e+02 1.6431004369e+02 5.6901005693e+02 4.2243049172e+02 -1.4421821341e+03 3.5743224410e+01 2.4000000000e+02 1.5286445618e-01 8.7535660661e-01
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21 -2.5052602604e+02 6.2797844495e+04 -4.1577008831e+02 1.6524406227e+02 5.7103189894e+02 4.2243049172e+02 -1.4505183405e+03 4.1285861546e+01 2.4000000000e+02 1.5159466863e-01 8.7394894895e-01
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22 -2.5110135710e+02 6.3086420272e+04 -4.1272188724e+02 1.6162053014e+02 5.6683840987e+02 4.2243049172e+02 -1.4439363852e+03 4.1945596334e+01 2.4000000000e+02 1.5401680768e-01 8.7522522523e-01
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23 -2.4988670723e+02 6.2490580245e+04 -4.1168933676e+02 1.6180262953e+02 5.6732330212e+02 4.2243049172e+02 -1.4390931582e+03 3.7650027617e+01 2.4000000000e+02 1.5194517374e-01 8.7567567568e-01
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24 -2.5053438930e+02 6.2798651978e+04 -4.2010030343e+02 1.6956591413e+02 5.7258546811e+02 4.2243049172e+02 -1.4536666057e+03 3.8550342487e+01 2.4000000000e+02 1.5396632254e-01 8.7075825826e-01
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25 -2.5060409791e+02 6.2832316502e+04 -4.0896576423e+02 1.5836166633e+02 5.6488733098e+02 4.2243049172e+02 -1.4354626448e+03 3.9179057891e+01 2.4000000000e+02 1.5251465142e-01 8.7745870871e-01
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26 -2.5005415213e+02 6.2563374000e+04 -4.1233127864e+02 1.6227712651e+02 5.6592626924e+02 4.2243049172e+02 -1.4376304924e+03 3.6942452767e+01 2.4000000000e+02 1.5260241926e-01 8.7668918919e-01
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27 -2.5086505798e+02 6.2968018824e+04 -4.1086606874e+02 1.6000101077e+02 5.6697230741e+02 4.2243049172e+02 -1.4376856980e+03 3.7416830165e+01 2.4000000000e+02 1.5280093253e-01 8.7749624625e-01
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28 -2.5084446829e+02 6.2953858879e+04 -4.1390275670e+02 1.6305828841e+02 5.6764663457e+02 4.2243049172e+02 -1.4428978955e+03 3.8918012469e+01 2.4000000000e+02 1.5449158847e-01 8.7515015015e-01
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29 -2.5022546032e+02 6.2647023974e+04 -4.1348104583e+02 1.6325558551e+02 5.7055017877e+02 4.2243049172e+02 -1.4465957789e+03 4.0134062606e+01 2.4000000000e+02 1.5286739171e-01 8.7629504505e-01
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30 -2.5023036749e+02 6.2650668200e+04 -4.1382272359e+02 1.6359235610e+02 5.7022086228e+02 4.2243049172e+02 -1.4460140856e+03 3.9540007984e+01 2.4000000000e+02 1.5302401781e-01 8.7528153153e-01
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31 -2.4987399385e+02 6.2478586626e+04 -4.1587835444e+02 1.6600436059e+02 5.7450312521e+02 4.2243049172e+02 -1.4494410699e+03 3.6629098531e+01 2.4000000000e+02 1.5286983550e-01 8.7280405405e-01
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32 -2.5081402753e+02 6.2941847833e+04 -4.1364804795e+02 1.6283402042e+02 5.6953381759e+02 4.2243049172e+02 -1.4459647692e+03 4.0352411941e+01 2.4000000000e+02 1.5148712695e-01 8.7548798799e-01
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33 -2.5055843375e+02 6.2833719591e+04 -4.1111995364e+02 1.6056151989e+02 5.6784794820e+02 4.2243049172e+02 -1.4394198303e+03 3.8021436755e+01 2.4000000000e+02 1.5150418878e-01 8.7590090090e-01
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34 -2.5018551214e+02 6.2629354023e+04 -4.0916441885e+02 1.5897890671e+02 5.6643080771e+02 4.2243049172e+02 -1.4338378066e+03 3.5812088312e+01 2.4000000000e+02 1.5240825713e-01 8.7920420420e-01
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35 -2.5035960174e+02 6.2738004940e+04 -4.0810605085e+02 1.5774644911e+02 5.6729961623e+02 4.2243049172e+02 -1.4362373046e+03 3.8401145793e+01 2.4000000000e+02 1.5156611800e-01 8.7884759760e-01
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36 -2.5078531313e+02 6.2928959882e+04 -4.1387911012e+02 1.6309379699e+02 5.6671904884e+02 4.2243049172e+02 -1.4424516350e+03 3.9422984286e+01 2.4000000000e+02 1.5136742592e-01 8.7406156156e-01
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37 -2.5066512870e+02 6.2867318170e+04 -4.0910646758e+02 1.5844133888e+02 5.6535115644e+02 4.2243049172e+02 -1.4353270624e+03 3.8438946704e+01 2.4000000000e+02 1.5084682405e-01 8.8078078078e-01
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38 -2.4914753904e+02 6.2144640691e+04 -4.1184711861e+02 1.6269957957e+02 5.6967317065e+02 4.2243049172e+02 -1.4430198634e+03 3.9069082379e+01 2.4000000000e+02 1.5617477894e-01 8.7894144144e-01
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39 -2.5098443923e+02 6.3026101636e+04 -4.1492957893e+02 1.6394513971e+02 5.6863294065e+02 4.2243049172e+02 -1.4457451449e+03 3.9752133607e+01 2.4000000000e+02 1.5531080961e-01 8.7498123123e-01
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40 -2.5139321569e+02 6.3231945768e+04 -4.1334375686e+02 1.6195054117e+02 5.6381038190e+02 4.2243049172e+02 -1.4389473925e+03 3.9362762019e+01 2.4000000000e+02 1.5451607108e-01 8.7475600601e-01
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41 -2.5065129897e+02 6.2880632642e+04 -4.1201880659e+02 1.6136750762e+02 5.6688421544e+02 4.2243049172e+02 -1.4417687392e+03 4.0435225468e+01 2.4000000000e+02 1.5328921378e-01 8.7674549550e-01
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42 -2.4968634089e+02 6.2386630427e+04 -4.1591445759e+02 1.6622811670e+02 5.7027556880e+02 4.2243049172e+02 -1.4486563309e+03 4.0035812839e+01 2.4000000000e+02 1.5458817780e-01 8.7552552553e-01
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43 -2.5097887492e+02 6.3022420948e+04 -4.1483691225e+02 1.6385803732e+02 5.6920185414e+02 4.2243049172e+02 -1.4454685509e+03 3.8999292833e+01 2.4000000000e+02 1.5479864180e-01 8.7490615616e-01
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44 -2.5104741049e+02 6.3060229090e+04 -4.1436185623e+02 1.6331444574e+02 5.6852592259e+02 4.2243049172e+02 -1.4466639336e+03 4.1345663085e+01 2.4000000000e+02 1.5515570343e-01 8.7616366366e-01
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45 -2.5070563831e+02 6.2892788061e+04 -4.2125933021e+02 1.7055369190e+02 5.7116772612e+02 4.2243049172e+02 -1.4558820982e+03 4.1024550162e+01 2.4000000000e+02 1.5665487945e-01 8.7081456456e-01
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46 -2.5066390224e+02 6.2867084202e+04 -4.1576321162e+02 1.6509930938e+02 5.6551096402e+02 4.2243049172e+02 -1.4436821227e+03 3.9977455387e+01 2.4000000000e+02 1.5487964451e-01 8.7706456456e-01
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47 -2.5022011564e+02 6.2648247698e+04 -4.1275218555e+02 1.6253206991e+02 5.6550915302e+02 4.2243049172e+02 -1.4399007070e+03 3.9208876713e+01 2.4000000000e+02 1.5427096188e-01 8.7667042042e-01
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48 -2.5035740228e+02 6.2722540985e+04 -4.1144877794e+02 1.6109137566e+02 5.6577763241e+02 4.2243049172e+02 -1.4380720145e+03 3.8415112427e+01 2.4000000000e+02 1.5431821346e-01 8.7740240240e-01
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49 -2.5047807712e+02 6.2774702937e+04 -4.1105292948e+02 1.6057485236e+02 5.6511835552e+02 4.2243049172e+02 -1.4363885211e+03 3.7786744342e+01 2.4000000000e+02 1.5319752693e-01 8.7725225225e-01
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50 -2.5045642429e+02 6.2768185244e+04 -4.1763325872e+02 1.6717683444e+02 5.6859641922e+02 4.2243049172e+02 -1.4465081934e+03 3.7848023710e+01 2.4000000000e+02 1.5435430408e-01 8.7443693694e-01
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51 -2.5092608496e+02 6.2991420693e+04 -4.0888056106e+02 1.5795447610e+02 5.6665347179e+02 4.2243049172e+02 -1.4381765040e+03 4.0211979468e+01 2.4000000000e+02 1.5383060277e-01 8.7593843844e-01
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52 -2.5071253790e+02 6.2886890570e+04 -4.1630122145e+02 1.6558868355e+02 5.6863673735e+02 4.2243049172e+02 -1.4466484783e+03 3.9280027812e+01 2.4000000000e+02 1.5468981862e-01 8.7697072072e-01
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53 -2.4991538619e+02 6.2497382706e+04 -4.1599892725e+02 1.6608354107e+02 5.6851033914e+02 4.2243049172e+02 -1.4477696840e+03 4.0829925857e+01 2.4000000000e+02 1.5528711677e-01 8.7498123123e-01
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54 -2.5037215331e+02 6.2717524859e+04 -4.1840198432e+02 1.6802983101e+02 5.7106206785e+02 4.2243049172e+02 -1.4521082581e+03 4.0213714229e+01 2.4000000000e+02 1.5480867028e-01 8.7385510511e-01
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55 -2.5049694107e+02 6.2782538564e+04 -4.1288756078e+02 1.6239061972e+02 5.6636365474e+02 4.2243049172e+02 -1.4401478716e+03 3.8466164396e+01 2.4000000000e+02 1.5506884456e-01 8.7432432432e-01
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56 -2.5076989839e+02 6.2929721063e+04 -4.1898584667e+02 1.6821594828e+02 5.6992207709e+02 4.2243049172e+02 -1.4513528185e+03 4.0014403029e+01 2.4000000000e+02 1.5458397567e-01 8.7235360360e-01
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57 -2.5077105236e+02 6.2929557628e+04 -4.1738721933e+02 1.6661616697e+02 5.7059838459e+02 4.2243049172e+02 -1.4520834045e+03 4.1667308821e+01 2.4000000000e+02 1.5519142151e-01 8.7413663664e-01
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58 -2.5064799131e+02 6.2857519071e+04 -4.1848026579e+02 1.6783227448e+02 5.7044585203e+02 4.2243049172e+02 -1.4516143191e+03 4.0257709530e+01 2.4000000000e+02 1.5440148115e-01 8.7209084084e-01
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59 -2.5038076184e+02 6.2731986552e+04 -4.1320485754e+02 1.6282409570e+02 5.6992512392e+02 4.2243049172e+02 -1.4437804318e+03 3.8219958617e+01 2.4000000000e+02 1.5424112976e-01 8.7477477477e-01
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60 -2.5046090951e+02 6.2774017823e+04 -4.1883594170e+02 1.6837503219e+02 5.6823166182e+02 4.2243049172e+02 -1.4478920289e+03 3.8393933693e+01 2.4000000000e+02 1.5469296277e-01 8.7458708709e-01
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61 -2.5035320090e+02 6.2720171679e+04 -4.1341275595e+02 1.6305955505e+02 5.6826319794e+02 4.2243049172e+02 -1.4443890253e+03 4.0282579676e+01 2.4000000000e+02 1.5480799973e-01 8.7357357357e-01
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62 -2.4959644154e+02 6.2340251209e+04 -4.1027500784e+02 1.6067856630e+02 5.6707315927e+02 4.2243049172e+02 -1.4340436855e+03 3.4265026665e+01 2.4000000000e+02 1.5311509371e-01 8.7875375375e-01
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63 -2.5078032712e+02 6.2935549318e+04 -4.1141628553e+02 1.6063595840e+02 5.6758946855e+02 4.2243049172e+02 -1.4423891969e+03 4.0952951098e+01 2.4000000000e+02 1.5371130407e-01 8.7792792793e-01
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64 -2.4984405603e+02 6.2458197749e+04 -4.1306322195e+02 1.6321916592e+02 5.7043557794e+02 4.2243049172e+02 -1.4458118925e+03 3.9882600917e+01 2.4000000000e+02 1.5422084928e-01 8.7832207207e-01
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65 -2.5059437686e+02 6.2839794789e+04 -4.1622953047e+02 1.6563515362e+02 5.7259843964e+02 4.2243049172e+02 -1.4513208315e+03 4.0062369623e+01 2.4000000000e+02 1.5565893054e-01 8.7588213213e-01
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66 -2.5038442487e+02 6.2724205856e+04 -4.1710060113e+02 1.6671617626e+02 5.7191283947e+02 4.2243049172e+02 -1.4497964018e+03 3.8352469452e+01 2.4000000000e+02 1.5465295315e-01 8.7393018018e-01
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67 -2.5048869478e+02 6.2776795692e+04 -4.1306122533e+02 1.6257253055e+02 5.6710044265e+02 4.2243049172e+02 -1.4423856070e+03 3.9793447261e+01 2.4000000000e+02 1.5424764156e-01 8.7591966967e-01
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68 -2.5013050299e+02 6.2599149017e+04 -4.1214620251e+02 1.6201569952e+02 5.6826775191e+02 4.2243049172e+02 -1.4416015599e+03 3.8757113801e+01 2.4000000000e+02 1.5388554335e-01 8.7777777778e-01
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69 -2.5032664618e+02 6.2696528637e+04 -4.1299116511e+02 1.6266451893e+02 5.6721766080e+02 4.2243049172e+02 -1.4407987851e+03 3.8159467443e+01 2.4000000000e+02 1.5544465184e-01 8.7798423423e-01
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70 -2.5069946165e+02 6.2884917441e+04 -4.1959205003e+02 1.6889258838e+02 5.6899529958e+02 4.2243049172e+02 -1.4513457644e+03 4.0327923100e+01 2.4000000000e+02 1.5552623570e-01 8.7466216216e-01
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71 -2.5061089610e+02 6.2841122570e+04 -4.1533644356e+02 1.6472554746e+02 5.6799783372e+02 4.2243049172e+02 -1.4464297628e+03 4.0664993805e+01 2.4000000000e+02 1.5424416959e-01 8.7484984985e-01
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