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 -2.5026288652e+02 6.2671656378e+04 -4.1293019667e+02 1.6266731015e+02 5.6776395968e+02 4.2243049172e+02 -1.4418613542e+03 3.8736706111e+01 2.4000000000e+03 1.5053355098e+00 8.7567192192e-01
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1 -2.5050903980e+02 6.2791106799e+04 -4.1455510128e+02 1.6404606148e+02 5.6842016105e+02 4.2243049172e+02 -1.4445422477e+03 3.9136493637e+01 2.4000000000e+03 1.4918904155e+00 8.7631006006e-01
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2 -2.5060100817e+02 6.2838211239e+04 -4.1307957412e+02 1.6247856595e+02 5.6759942289e+02 4.2243049172e+02 -1.4414736526e+03 3.8364163883e+01 2.4000000000e+03 1.4910418391e+00 8.7646021021e-01
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3 -2.5054822420e+02 6.2815982788e+04 -4.1457894305e+02 1.6403071885e+02 5.6865547751e+02 4.2243049172e+02 -1.4450600457e+03 3.9395133401e+01 2.4000000000e+03 1.4976676852e+00 8.7579016517e-01
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4 -2.5039888367e+02 6.2739418510e+04 -4.1289691419e+02 1.6249803052e+02 5.6935752166e+02 4.2243049172e+02 -1.4438632565e+03 3.9178328955e+01 2.4000000000e+03 1.4959225655e+00 8.7640390390e-01
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5 -2.5048454090e+02 6.2780984774e+04 -4.1579794965e+02 1.6531340875e+02 5.6904320359e+02 4.2243049172e+02 -1.4459966860e+03 3.8725041073e+01 2.4000000000e+03 1.4965381026e+00 8.7471471471e-01
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6 -2.5047860867e+02 6.2776011557e+04 -4.1538205618e+02 1.6490344752e+02 5.6872558128e+02 4.2243049172e+02 -1.4451902220e+03 3.8652092809e+01 2.4000000000e+03 1.4987752885e+00 8.7562124625e-01
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7 -2.5017173519e+02 6.2624257936e+04 -4.1524167688e+02 1.6506994169e+02 5.6933016957e+02 4.2243049172e+02 -1.4452213295e+03 3.8218991361e+01 2.4000000000e+03 1.4895246774e+00 8.7592342342e-01
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8 -2.5061207202e+02 6.2839231252e+04 -4.1520536116e+02 1.6459328914e+02 5.6865376540e+02 4.2243049172e+02 -1.4450601187e+03 3.8770500453e+01 2.4000000000e+03 1.4911581278e+00 8.7593843844e-01
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9 -2.5051710058e+02 6.2793996837e+04 -4.1478624811e+02 1.6426914753e+02 5.6865386397e+02 4.2243049172e+02 -1.4448951885e+03 3.9024584694e+01 2.4000000000e+03 1.4990033805e+00 8.7627064565e-01
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10 -2.5034313560e+02 6.2708193279e+04 -4.1500746096e+02 1.6466432536e+02 5.7084019828e+02 4.2243049172e+02 -1.4469558611e+03 3.8677710190e+01 2.4000000000e+03 1.4913908541e+00 8.7513325826e-01
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11 -2.5049297873e+02 6.2783698107e+04 -4.1594468808e+02 1.6545170935e+02 5.6937706623e+02 4.2243049172e+02 -1.4468397714e+03 3.9087525382e+01 2.4000000000e+03 1.4905548245e+00 8.7512387387e-01
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12 -2.5035118960e+02 6.2715806115e+04 -4.1427679383e+02 1.6392560423e+02 5.6894939568e+02 4.2243049172e+02 -1.4456713497e+03 4.0014668454e+01 2.4000000000e+03 1.4876317829e+00 8.7583333333e-01
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13 -2.5052940964e+02 6.2798549080e+04 -4.1641943924e+02 1.6589002960e+02 5.7000528007e+02 4.2243049172e+02 -1.4479446886e+03 3.9089477596e+01 2.4000000000e+03 1.4873937219e+00 8.7474474474e-01
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14 -2.5052141299e+02 6.2799306558e+04 -4.1421846493e+02 1.6369705194e+02 5.6896955703e+02 4.2243049172e+02 -1.4453151712e+03 3.9696657535e+01 2.4000000000e+03 1.4907350987e+00 8.7594969970e-01
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15 -2.5037799789e+02 6.2726966334e+04 -4.1458659715e+02 1.6420859926e+02 5.6771842785e+02 4.2243049172e+02 -1.4430774077e+03 3.8341890991e+01 2.4000000000e+03 1.4873739034e+00 8.7517830330e-01
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16 -2.5042491336e+02 6.2751886627e+04 -4.1398924369e+02 1.6356433033e+02 5.6711253959e+02 4.2243049172e+02 -1.4424768124e+03 3.8944537352e+01 2.4000000000e+03 1.4921746403e+00 8.7570758258e-01
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17 -2.5063950461e+02 6.2859803161e+04 -4.1441978735e+02 1.6378028274e+02 5.6870767728e+02 4.2243049172e+02 -1.4457734049e+03 4.0215448514e+01 2.4000000000e+03 1.4921504259e+00 8.7623123123e-01
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18 -2.5054539458e+02 6.2812150557e+04 -4.1353254814e+02 1.6298715356e+02 5.6666841339e+02 4.2243049172e+02 -1.4417557247e+03 3.9124271466e+01 2.4000000000e+03 1.4934087098e+00 8.7599849850e-01
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19 -2.5035832692e+02 6.2718486926e+04 -4.1309882753e+02 1.6274050060e+02 5.6852343398e+02 4.2243049172e+02 -1.4423657815e+03 3.8313028257e+01 2.4000000000e+03 1.4935861826e+00 8.7622184685e-01
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20 -2.5047599277e+02 6.2775643103e+04 -4.1394481923e+02 1.6346882646e+02 5.6921246233e+02 4.2243049172e+02 -1.4445822778e+03 3.8994504513e+01 2.4000000000e+03 1.4973799288e+00 8.7639264264e-01
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21 -2.5044913419e+02 6.2762472012e+04 -4.1753262841e+02 1.6708349422e+02 5.7038832264e+02 4.2243049172e+02 -1.4498642667e+03 3.9512823921e+01 2.4000000000e+03 1.4970774949e+00 8.7479166667e-01
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22 -2.5058282887e+02 6.2830652939e+04 -4.1616938524e+02 1.6558655637e+02 5.6935696766e+02 4.2243049172e+02 -1.4466352577e+03 3.8678413132e+01 2.4000000000e+03 1.4960124940e+00 8.7557432432e-01
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23 -2.5039200274e+02 6.2734226811e+04 -4.1445769714e+02 1.6406569441e+02 5.6812890541e+02 4.2243049172e+02 -1.4450942633e+03 4.0077169057e+01 2.4000000000e+03 1.4969027191e+00 8.7587650150e-01
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24 -2.5044093688e+02 6.2757869161e+04 -4.1391532602e+02 1.6347438915e+02 5.6869583001e+02 4.2243049172e+02 -1.4448831811e+03 3.9841533377e+01 2.4000000000e+03 1.4980522543e+00 8.7600600601e-01
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25 -2.5057601087e+02 6.2825868460e+04 -4.1522353634e+02 1.6464752547e+02 5.6778121096e+02 4.2243049172e+02 -1.4450146776e+03 3.9579438609e+01 2.4000000000e+03 1.4950274378e+00 8.7534346847e-01
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26 -2.5041010260e+02 6.2753134721e+04 -4.1334817052e+02 1.6293806792e+02 5.6756357643e+02 4.2243049172e+02 -1.4428557921e+03 3.9513553472e+01 2.4000000000e+03 1.5014567226e+00 8.7567192192e-01
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27 -2.5040211788e+02 6.2739770064e+04 -4.1302512143e+02 1.6262300355e+02 5.6710054956e+02 4.2243049172e+02 -1.4411665900e+03 3.8610427311e+01 2.4000000000e+03 1.5003943741e+00 8.7618243243e-01
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28 -2.5048842132e+02 6.2780298095e+04 -4.1416426594e+02 1.6367584462e+02 5.6818314593e+02 4.2243049172e+02 -1.4437004697e+03 3.8922566098e+01 2.4000000000e+03 1.5009547323e+00 8.7530968468e-01
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29 -2.5050368617e+02 6.2786358017e+04 -4.1485318852e+02 1.6434950235e+02 5.6868721913e+02 4.2243049172e+02 -1.4461699975e+03 4.0199098172e+01 2.4000000000e+03 1.5004804581e+00 8.7592154655e-01
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30 -2.5034691031e+02 6.2713413717e+04 -4.1513050135e+02 1.6478359104e+02 5.7030376414e+02 4.2243049172e+02 -1.4470784630e+03 3.9213705744e+01 2.4000000000e+03 1.5029655695e+00 8.7458708709e-01
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31 -2.5055497107e+02 6.2819628904e+04 -4.1522968826e+02 1.6467471719e+02 5.6866390592e+02 4.2243049172e+02 -1.4458379208e+03 3.9513834917e+01 2.4000000000e+03 1.5008586943e+00 8.7534909910e-01
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32 -2.5011362721e+02 6.2594571794e+04 -4.1459990415e+02 1.6448627694e+02 5.7049749964e+02 4.2243049172e+02 -1.4470096142e+03 3.9481718744e+01 2.4000000000e+03 1.5121840239e+00 8.7564189189e-01
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33 -2.5052718812e+02 6.2802365127e+04 -4.1236578583e+02 1.6183859771e+02 5.6714465277e+02 4.2243049172e+02 -1.4412352859e+03 3.9294355589e+01 2.4000000000e+03 1.5011212379e+00 8.7691441441e-01
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34 -2.5027693246e+02 6.2678009943e+04 -4.1442408092e+02 1.6414714846e+02 5.6790354750e+02 4.2243049172e+02 -1.4442306496e+03 3.9472529418e+01 2.4000000000e+03 1.4985985607e+00 8.7631381381e-01
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35 -2.5044427234e+02 6.2759733319e+04 -4.1383017199e+02 1.6338589965e+02 5.6877947308e+02 4.2243049172e+02 -1.4437196874e+03 3.8679550592e+01 2.4000000000e+03 1.5045381784e+00 8.7612237237e-01
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36 -2.5039235021e+02 6.2735773399e+04 -4.1466808608e+02 1.6427573587e+02 5.6929463634e+02 4.2243049172e+02 -1.4457362132e+03 3.9342999073e+01 2.4000000000e+03 1.5026429892e+00 8.7545420420e-01
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37 -2.5072468492e+02 6.2901053753e+04 -4.1579241237e+02 1.6506772745e+02 5.6951747786e+02 4.2243049172e+02 -1.4468162030e+03 3.9075821049e+01 2.4000000000e+03 1.5088870674e+00 8.7583896396e-01
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38 -2.5070152679e+02 6.2888392453e+04 -4.1309658452e+02 1.6239505773e+02 5.6748016457e+02 4.2243049172e+02 -1.4418529907e+03 3.8845749854e+01 2.4000000000e+03 1.5030397773e+00 8.7667417417e-01
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39 -2.5049387484e+02 6.2784569707e+04 -4.1519476290e+02 1.6470088806e+02 5.6915626704e+02 4.2243049172e+02 -1.4466230140e+03 3.9841492335e+01 2.4000000000e+03 1.5109483004e+00 8.7493993994e-01
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40 -2.5036561892e+02 6.2720066258e+04 -4.1510631184e+02 1.6474069292e+02 5.6947966950e+02 4.2243049172e+02 -1.4461308459e+03 3.9114372801e+01 2.4000000000e+03 1.5203305185e+00 8.7558558559e-01
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41 -2.5056933202e+02 6.2819429645e+04 -4.1555924364e+02 1.6498991162e+02 5.7030344915e+02 4.2243049172e+02 -1.4474988712e+03 3.9205686718e+01 2.4000000000e+03 1.5116255879e+00 8.7505818318e-01
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42 -2.5032234370e+02 6.2701636408e+04 -4.1505540184e+02 1.6473305814e+02 5.6895820491e+02 4.2243049172e+02 -1.4456487822e+03 3.9204683752e+01 2.4000000000e+03 1.5023605227e+00 8.7546734234e-01
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43 -2.5071623224e+02 6.2897177517e+04 -4.1491171428e+02 1.6419548203e+02 5.6869116868e+02 4.2243049172e+02 -1.4446810821e+03 3.8647707411e+01 2.4000000000e+03 1.5047786236e+00 8.7478040541e-01
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44 -2.5048441874e+02 6.2778404686e+04 -4.1477964024e+02 1.6429522150e+02 5.6943899745e+02 4.2243049172e+02 -1.4451170735e+03 3.8467944065e+01 2.4000000000e+03 1.5010410845e+00 8.7490052553e-01
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45 -2.5047997442e+02 6.2779250523e+04 -4.1298784341e+02 1.6250786898e+02 5.6739350114e+02 4.2243049172e+02 -1.4411700966e+03 3.8358260297e+01 2.4000000000e+03 1.5003094524e+00 8.7710585586e-01
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46 -2.5041148161e+02 6.2742884638e+04 -4.1282574694e+02 1.6241426533e+02 5.6577545591e+02 4.2243049172e+02 -1.4397545031e+03 3.8722808507e+01 2.4000000000e+03 1.5034545809e+00 8.7675487988e-01
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47 -2.5042007411e+02 6.2751270281e+04 -4.1296203303e+02 1.6254195892e+02 5.6786919638e+02 4.2243049172e+02 -1.4412176970e+03 3.7955975837e+01 2.4000000000e+03 1.4998637587e+00 8.7615240240e-01
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48 -2.5048543346e+02 6.2797917252e+04 -4.1490893425e+02 1.6442350079e+02 5.6892087927e+02 4.2243049172e+02 -1.4453966363e+03 3.9136331060e+01 2.4000000000e+03 1.5038433969e+00 8.7575825826e-01
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49 -2.5048087243e+02 6.2785599260e+04 -4.1439437191e+02 1.6391349948e+02 5.6894537913e+02 4.2243049172e+02 -1.4449115718e+03 3.9141329023e+01 2.4000000000e+03 1.5049980581e+00 8.7538100601e-01
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50 -2.5048026626e+02 6.2779006974e+04 -4.1542033100e+02 1.6494006474e+02 5.6900196412e+02 4.2243049172e+02 -1.4458116228e+03 3.8958835948e+01 2.4000000000e+03 1.5080785304e+00 8.7572635135e-01
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51 -2.5043841790e+02 6.2756496675e+04 -4.1404959105e+02 1.6361117315e+02 5.6925442862e+02 4.2243049172e+02 -1.4454649205e+03 3.9730409069e+01 2.4000000000e+03 1.5048695803e+00 8.7573573574e-01
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52 -2.5053101686e+02 6.2803607215e+04 -4.1625820663e+02 1.6572718977e+02 5.6967102336e+02 4.2243049172e+02 -1.4481197099e+03 3.9759988238e+01 2.4000000000e+03 1.5056474358e+00 8.7495120120e-01
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53 -2.5052820771e+02 6.2800929079e+04 -4.1530829197e+02 1.6478008426e+02 5.6848676470e+02 4.2243049172e+02 -1.4452519978e+03 3.9026449462e+01 2.4000000000e+03 1.5079026222e+00 8.7600600601e-01
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54 -2.5058240999e+02 6.2827434708e+04 -4.1399514346e+02 1.6341273347e+02 5.6760506289e+02 4.2243049172e+02 -1.4429542335e+03 3.8923535391e+01 2.4000000000e+03 1.5068860352e+00 8.7556118619e-01
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55 -2.5043204847e+02 6.2753840274e+04 -4.1396990528e+02 1.6353785681e+02 5.6903916000e+02 4.2243049172e+02 -1.4447515845e+03 3.9312027453e+01 2.4000000000e+03 1.5078757405e+00 8.7586148649e-01
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56 -2.5053809863e+02 6.2804503866e+04 -4.1600611173e+02 1.6546801310e+02 5.6905780217e+02 4.2243049172e+02 -1.4470388823e+03 3.9544476668e+01 2.4000000000e+03 1.5078163594e+00 8.7540728228e-01
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57 -2.5034002671e+02 6.2706530407e+04 -4.1512808638e+02 1.6478805967e+02 5.6959645823e+02 4.2243049172e+02 -1.4458168865e+03 3.8661850205e+01 2.4000000000e+03 1.5072426349e+00 8.7553303303e-01
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58 -2.5068576398e+02 6.2880380021e+04 -4.1465185544e+02 1.6396609146e+02 5.6755046975e+02 4.2243049172e+02 -1.4440811087e+03 3.9448291777e+01 2.4000000000e+03 1.5054009855e+00 8.7592717718e-01
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59 -2.5020977383e+02 6.2645666962e+04 -4.1399059561e+02 1.6378082178e+02 5.6933063912e+02 4.2243049172e+02 -1.4457904551e+03 4.0038728616e+01 2.4000000000e+03 1.5035412014e+00 8.7521208709e-01
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60 -2.5049554894e+02 6.2788228619e+04 -4.1516884665e+02 1.6467329771e+02 5.6939242314e+02 4.2243049172e+02 -1.4455709822e+03 3.8579220740e+01 2.4000000000e+03 1.5092613250e+00 8.7498873874e-01
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61 -2.5036862326e+02 6.2724236717e+04 -4.1396742426e+02 1.6359880101e+02 5.6791475500e+02 4.2243049172e+02 -1.4428119892e+03 3.8499318270e+01 2.4000000000e+03 1.5079457909e+00 8.7557807808e-01
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62 -2.5035309165e+02 6.2720099482e+04 -4.1552140831e+02 1.6516831666e+02 5.6997211515e+02 4.2243049172e+02 -1.4473971504e+03 3.9473135270e+01 2.4000000000e+03 1.5076350719e+00 8.7426989489e-01
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63 -2.5091969430e+02 6.2993959804e+04 -4.1449130798e+02 1.6357161368e+02 5.6835019056e+02 4.2243049172e+02 -1.4445699351e+03 3.9297944798e+01 2.4000000000e+03 1.5051624030e+00 8.7631944444e-01
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64 -2.5013545555e+02 6.2608766575e+04 -4.1422662753e+02 1.6409117199e+02 5.6959922088e+02 4.2243049172e+02 -1.4456681407e+03 3.9411800620e+01 2.4000000000e+03 1.5086503923e+00 8.7483108108e-01
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65 -2.5034272837e+02 6.2711451635e+04 -4.1338111799e+02 1.6303838962e+02 5.6823502030e+02 4.2243049172e+02 -1.4439886725e+03 3.9942042541e+01 2.4000000000e+03 1.5027905703e+00 8.7600600601e-01
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66 -2.5040427845e+02 6.2737048983e+04 -4.1488826027e+02 1.6448398182e+02 5.6835535868e+02 4.2243049172e+02 -1.4451054677e+03 3.9431356996e+01 2.4000000000e+03 1.5083349496e+00 8.7582770270e-01
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67 -2.5068771963e+02 6.2878381644e+04 -4.1537827526e+02 1.6469055564e+02 5.6787261437e+02 4.2243049172e+02 -1.4445714916e+03 3.8890110297e+01 2.4000000000e+03 1.5041427165e+00 8.7605668168e-01
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68 -2.5034695610e+02 6.2711131612e+04 -4.1379699817e+02 1.6345004206e+02 5.6831653135e+02 4.2243049172e+02 -1.4444191492e+03 3.9875127980e+01 2.4000000000e+03 1.5086423457e+00 8.7547860360e-01
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69 -2.5042844635e+02 6.2752657425e+04 -4.1568355477e+02 1.6525510843e+02 5.6838796942e+02 4.2243049172e+02 -1.4458831003e+03 3.9381084386e+01 2.4000000000e+03 1.5053289831e+00 8.7621058559e-01
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70 -2.5037398662e+02 6.2724549647e+04 -4.1482477853e+02 1.6445079190e+02 5.6858231958e+02 4.2243049172e+02 -1.4451942809e+03 3.9356691099e+01 2.4000000000e+03 1.5062459260e+00 8.7605855856e-01
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