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 -3.6434010267e+02 1.3275647532e+05 -6.3925687019e+02 2.7491676752e+02 -1.1672558114e+01 -2.7082543605e+02 -3.9784761632e+02 4.1088740290e+01 8.9028000000e+04 2.8476934039e+01 9.9121883275e-01
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1 -3.6466815975e+02 1.3299597178e+05 -6.3975489783e+02 2.7508673807e+02 -1.1838147078e+01 -2.7082543605e+02 -3.9825057662e+02 4.1159261916e+01 8.8808000000e+04 2.8429103574e+01 9.9116594965e-01
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2 -3.6478451661e+02 1.3308051629e+05 -6.3979268440e+02 2.7500816779e+02 -1.1880508778e+01 -2.7082543605e+02 -3.9811236571e+02 4.1025626126e+01 8.7736000000e+04 2.8288652285e+01 9.9119256172e-01
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3 -3.6487318748e+02 1.3314518361e+05 -6.3986638054e+02 2.7499319306e+02 -1.1891421822e+01 -2.7082543605e+02 -3.9820925459e+02 4.1059731918e+01 8.6091000000e+04 2.8239038111e+01 9.9120449548e-01
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4 -3.6490691306e+02 1.3316965808e+05 -6.4015364705e+02 2.7524673399e+02 -1.2050822846e+01 -2.7082543605e+02 -3.9839510675e+02 4.1117718591e+01 8.4977000000e+04 2.8107133289e+01 9.9117045152e-01
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5 -3.6491681560e+02 1.3317714560e+05 -6.4065251196e+02 2.7573569636e+02 -1.1943390718e+01 -2.7082543605e+02 -3.9914727507e+02 4.1263589871e+01 8.3588000000e+04 2.7845532426e+01 9.9116400164e-01
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6 -3.6491770474e+02 1.3317769096e+05 -6.4081057307e+02 2.7589286833e+02 -1.1919044156e+01 -2.7082543605e+02 -3.9927698706e+02 4.1210894187e+01 8.3389000000e+04 2.7821137141e+01 9.9112994407e-01
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7 -3.6491875931e+02 1.3317843491e+05 -6.4085451050e+02 2.7593575119e+02 -1.1882234574e+01 -2.7082543605e+02 -3.9935894675e+02 4.1212106871e+01 8.3880000000e+04 2.8035850769e+01 9.9114989079e-01
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8 -3.6492009088e+02 1.3317934607e+05 -6.4076763011e+02 2.7584753923e+02 -1.1880661919e+01 -2.7082543605e+02 -3.9909687160e+02 4.1035339447e+01 8.2644000000e+04 2.7466855038e+01 9.9115186380e-01
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9 -3.6494384103e+02 1.3319686914e+05 -6.4080044521e+02 2.7585660419e+02 -1.1962628680e+01 -2.7082543605e+02 -3.9905781756e+02 4.1045437077e+01 8.2723000000e+04 2.7623585030e+01 9.9120154931e-01
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10 -3.6493513530e+02 1.3319042854e+05 -6.4055368877e+02 2.7561855347e+02 -1.1809812641e+01 -2.7082543605e+02 -3.9906396909e+02 4.1145529013e+01 8.3416000000e+04 2.8456905765e+01 9.9114044804e-01
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11 -3.6494627863e+02 1.3319846297e+05 -6.4073320363e+02 2.7578692500e+02 -1.1804823880e+01 -2.7082543605e+02 -3.9914864849e+02 4.1045704784e+01 8.3519000000e+04 2.7881907226e+01 9.9112808611e-01
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12 -3.6495820855e+02 1.3320746574e+05 -6.4073982895e+02 2.7578162039e+02 -1.1905778700e+01 -2.7082543605e+02 -3.9914638441e+02 4.1137770206e+01 8.2936000000e+04 2.7497996754e+01 9.9116184501e-01
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13 -3.6495805584e+02 1.3320734107e+05 -6.4061872916e+02 2.7566067332e+02 -1.1868033000e+01 -2.7082543605e+02 -3.9897692931e+02 4.1051669192e+01 8.2843000000e+04 2.7495391619e+01 9.9117244381e-01
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14 -3.6494573575e+02 1.3319812898e+05 -6.4043981812e+02 2.7549408237e+02 -1.2112151922e+01 -2.7082543605e+02 -3.9881970228e+02 4.1317472131e+01 8.2465000000e+04 2.7334675018e+01 9.9114705118e-01
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15 -3.6496406575e+02 1.3321160110e+05 -6.4048934233e+02 2.7552527658e+02 -1.2095559608e+01 -2.7082543605e+02 -3.9877827865e+02 4.1209931972e+01 8.2616000000e+04 2.7467268326e+01 9.9114976888e-01
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16 -3.6497166399e+02 1.3321744259e+05 -6.4083371928e+02 2.7586205530e+02 -1.1975742383e+01 -2.7082543605e+02 -3.9924145339e+02 4.1208912538e+01 8.2742000000e+04 2.7428414029e+01 9.9113567605e-01
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17 -3.6494128271e+02 1.3319485421e+05 -6.4054255703e+02 2.7560127432e+02 -1.2052836823e+01 -2.7082543605e+02 -3.9892297159e+02 4.1258687433e+01 8.2642000000e+04 2.7442112215e+01 9.9115443801e-01
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18 -3.6495319604e+02 1.3320334514e+05 -6.4061316188e+02 2.7565996584e+02 -1.2020592198e+01 -2.7082543605e+02 -3.9900474867e+02 4.1237615033e+01 8.1730000000e+04 2.6133311265e+01 9.9112874889e-01
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19 -3.6496651620e+02 1.3321354657e+05 -6.4104132021e+02 2.7607480401e+02 -1.2122816495e+01 -2.7082543605e+02 -3.9938657314e+02 4.1293505467e+01 8.1620000000e+04 2.5711577349e+01 9.9114473087e-01
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20 -3.6495892659e+02 1.3320761736e+05 -6.4094010377e+02 2.7598117718e+02 -1.2028591613e+01 -2.7082543605e+02 -3.9934622760e+02 4.1260151493e+01 8.2641000000e+04 2.8168151631e+01 9.9120074541e-01
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21 -3.6497873551e+02 1.3322229446e+05 -6.4089641105e+02 2.7591767555e+02 -1.2104283264e+01 -2.7082543605e+02 -3.9910067015e+02 4.1133978406e+01 8.2523000000e+04 2.7449040114e+01 9.9120667775e-01
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22 -3.6494853072e+02 1.3320026564e+05 -6.4087729331e+02 2.7592876258e+02 -1.1915722548e+01 -2.7082543605e+02 -3.9940278773e+02 4.1266653012e+01 8.2480000000e+04 2.7310090645e+01 9.9111117817e-01
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23 -3.6497505725e+02 1.3321944794e+05 -6.4084180188e+02 2.7586674462e+02 -1.1882048420e+01 -2.7082543605e+02 -3.9935273247e+02 4.1218415055e+01 8.2223000000e+04 2.7028714103e+01 9.9114296863e-01
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24 -3.6490907365e+02 1.3317131074e+05 -6.4091408697e+02 2.7600501332e+02 -1.1826647930e+01 -2.7082543605e+02 -3.9949343588e+02 4.1231432883e+01 8.2542000000e+04 2.7403450104e+01 9.9119022815e-01
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25 -3.6495201353e+02 1.3320265783e+05 -6.4125776411e+02 2.7630575057e+02 -1.1888061569e+01 -2.7082543605e+02 -3.9971870896e+02 4.1174442464e+01 8.1738000000e+04 2.5988344453e+01 9.9110265458e-01
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26 -3.6494778856e+02 1.3319986214e+05 -6.4114640394e+02 2.7619861538e+02 -1.1825887558e+01 -2.7082543605e+02 -3.9983417989e+02 4.1339099553e+01 8.1707000000e+04 2.5782686544e+01 9.9114628955e-01
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27 -3.6491015179e+02 1.3317254590e+05 -6.4114057034e+02 2.7623041855e+02 -1.1860700992e+01 -2.7082543605e+02 -3.9971944093e+02 4.1265007625e+01 8.1173000000e+04 2.5561056589e+01 9.9116386930e-01
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28 -3.6497842795e+02 1.3322209472e+05 -6.4069791039e+02 2.7571948243e+02 -1.1860757126e+01 -2.7082543605e+02 -3.9940814962e+02 4.1396432409e+01 8.1131000000e+04 2.5552159296e+01 9.9115444504e-01
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29 -3.6496990134e+02 1.3321568440e+05 -6.4073486368e+02 2.7576496233e+02 -1.1899418288e+01 -2.7082543605e+02 -3.9939936298e+02 4.1389353640e+01 8.1369000000e+04 2.5586074736e+01 9.9114913271e-01
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30 -3.6500393431e+02 1.3324087284e+05 -6.4064203036e+02 2.7563809605e+02 -1.2091464666e+01 -2.7082543605e+02 -3.9894469262e+02 4.1219562971e+01 8.2131000000e+04 2.7433489487e+01 9.9112306212e-01
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31 -3.6496622206e+02 1.3321297619e+05 -6.4074192164e+02 2.7577569958e+02 -1.2056707795e+01 -2.7082543605e+02 -3.9928786011e+02 4.1428082318e+01 8.2847000000e+04 2.7616545744e+01 9.9115417426e-01
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32 -3.6494627304e+02 1.3319851176e+05 -6.4058661284e+02 2.7564033980e+02 -1.2031430386e+01 -2.7082543605e+02 -3.9907866792e+02 4.1348921503e+01 8.2247000000e+04 2.7230326902e+01 9.9117077232e-01
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33 -3.6498185028e+02 1.3322452516e+05 -6.4091856626e+02 2.7593671598e+02 -1.1998501618e+01 -2.7082543605e+02 -3.9931187874e+02 4.1217250147e+01 8.2715000000e+04 2.7497940698e+01 9.9115561932e-01
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34 -3.6498564171e+02 1.3322732366e+05 -6.4049160945e+02 2.7550596773e+02 -1.2076893956e+01 -2.7082543605e+02 -3.9870566978e+02 4.1116390337e+01 8.3085000000e+04 2.7529755083e+01 9.9116631040e-01
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35 -3.6496678314e+02 1.3321347498e+05 -6.4063307298e+02 2.7566628984e+02 -1.1977773124e+01 -2.7082543605e+02 -3.9907800758e+02 4.1248143773e+01 8.3154000000e+04 2.7707089161e+01 9.9117403480e-01
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36 -3.6496751050e+02 1.3321395963e+05 -6.4106824783e+02 2.7610073732e+02 -1.2011362495e+01 -2.7082543605e+02 -3.9937953664e+02 4.1148087354e+01 8.3585000000e+04 2.7890375576e+01 9.9113091633e-01
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37 -3.6499822244e+02 1.3323635069e+05 -6.4055784491e+02 2.7555962247e+02 -1.1933054970e+01 -2.7082543605e+02 -3.9911738428e+02 4.1318030385e+01 8.3950000000e+04 2.8001715766e+01 9.9115739998e-01
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38 -3.6497720778e+02 1.3322086769e+05 -6.4057189895e+02 2.7559469117e+02 -1.1985963608e+01 -2.7082543605e+02 -3.9898454476e+02 4.1224045464e+01 8.3207000000e+04 2.7677934697e+01 9.9116352596e-01
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39 -3.6498420565e+02 1.3322624200e+05 -6.4069327234e+02 2.7570906669e+02 -1.1855733683e+01 -2.7082543605e+02 -3.9931702347e+02 4.1304920857e+01 8.3897000000e+04 2.7918781886e+01 9.9117866977e-01
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40 -3.6494514569e+02 1.3319771123e+05 -6.4115272127e+02 2.7620757558e+02 -1.1774986413e+01 -2.7082543605e+02 -3.9988175231e+02 4.1329453505e+01 8.3780000000e+04 2.8578911125e+01 9.9117775919e-01
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41 -3.6494591613e+02 1.3319820909e+05 -6.4126021172e+02 2.7631429558e+02 -1.1761960063e+01 -2.7082543605e+02 -3.9975439614e+02 4.1081580529e+01 8.3424000000e+04 2.7720399351e+01 9.9118122133e-01
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42 -3.6495953234e+02 1.3320809502e+05 -6.4117083903e+02 2.7621130669e+02 -1.1731541303e+01 -2.7082543605e+02 -3.9973223269e+02 4.1118371012e+01 8.2515000000e+04 2.7428256732e+01 9.9114454759e-01
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43 -3.6495219615e+02 1.3320292219e+05 -6.4087580500e+02 2.7592360885e+02 -1.1812721077e+01 -2.7082543605e+02 -3.9944534198e+02 4.1207694097e+01 8.2786000000e+04 2.7479099683e+01 9.9115085790e-01
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44 -3.6496589713e+02 1.3321275872e+05 -6.4089047135e+02 2.7592457422e+02 -1.1915414054e+01 -2.7082543605e+02 -3.9942819490e+02 4.1278573652e+01 8.2438000000e+04 2.7363680196e+01 9.9115507199e-01
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45 -3.6498290063e+02 1.3322512123e+05 -6.4103830653e+02 2.7605540589e+02 -1.1926510816e+01 -2.7082543605e+02 -3.9958734158e+02 4.1300981912e+01 8.3164000000e+04 2.7650447259e+01 9.9113041670e-01
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46 -3.6499364566e+02 1.3323339734e+05 -6.4092674758e+02 2.7593310193e+02 -1.1951906092e+01 -2.7082543605e+02 -3.9931588740e+02 4.1166481956e+01 8.3462000000e+04 2.7866493664e+01 9.9115662457e-01
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47 -3.6496434232e+02 1.3321186852e+05 -6.4073372538e+02 2.7576938306e+02 -1.1911092977e+01 -2.7082543605e+02 -3.9921836681e+02 4.1221170454e+01 8.3935000000e+04 2.7992470419e+01 9.9120406984e-01
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48 -3.6499318094e+02 1.3323263444e+05 -6.4094422900e+02 2.7595104805e+02 -1.1855578084e+01 -2.7082543605e+02 -3.9951342580e+02 4.1250210928e+01 8.4310000000e+04 2.8067445202e+01 9.9115656485e-01
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49 -3.6497658254e+02 1.3322080472e+05 -6.4095900722e+02 2.7598242468e+02 -1.1867195398e+01 -2.7082543605e+02 -3.9942957547e+02 4.1163199696e+01 8.4606000000e+04 2.8013669904e+01 9.9114772760e-01
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50 -3.6494749951e+02 1.3319960570e+05 -6.4097752404e+02 2.7603002453e+02 -1.1751299240e+01 -2.7082543605e+02 -3.9977516548e+02 4.1374376726e+01 8.4582000000e+04 2.8717781702e+01 9.9120169550e-01
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51 -3.6499961364e+02 1.3323786328e+05 -6.4101150396e+02 2.7601189032e+02 -1.1855940360e+01 -2.7082543605e+02 -3.9967187741e+02 4.1341749854e+01 8.3957000000e+04 2.7952845651e+01 9.9109371823e-01
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52 -3.6496164032e+02 1.3320971262e+05 -6.4043239760e+02 2.7547075728e+02 -1.1917954223e+01 -2.7082543605e+02 -3.9905192071e+02 4.1362913378e+01 8.4398000000e+04 2.8002501100e+01 9.9116245293e-01
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53 -3.6496092530e+02 1.3320955040e+05 -6.4093933728e+02 2.7597841198e+02 -1.1900489309e+01 -2.7082543605e+02 -3.9946606808e+02 4.1252656149e+01 8.5387000000e+04 2.8213686142e+01 9.9114101733e-01
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54 -3.6497817021e+02 1.3322178300e+05 -6.4055149278e+02 2.7557332257e+02 -1.1934236202e+01 -2.7082543605e+02 -3.9895113446e+02 4.1159313931e+01 8.4533000000e+04 2.8142586667e+01 9.9118866889e-01
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55 -3.6498793969e+02 1.3322896785e+05 -6.4056670685e+02 2.7557876716e+02 -1.1857596225e+01 -2.7082543605e+02 -3.9908776980e+02 4.1204095226e+01 8.3888000000e+04 2.7984551144e+01 9.9113798660e-01
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56 -3.6494793868e+02 1.3319991651e+05 -6.4059960240e+02 2.7565166372e+02 -1.1894743515e+01 -2.7082543605e+02 -3.9915270324e+02 4.1273280398e+01 8.3671000000e+04 2.8056884158e+01 9.9117274504e-01
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57 -3.6501449938e+02 1.3324863400e+05 -6.4083962801e+02 2.7582512863e+02 -1.1866731036e+01 -2.7082543605e+02 -3.9946806613e+02 4.1320605207e+01 8.3846000000e+04 2.7848200515e+01 9.9115797475e-01
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58 -3.6495224747e+02 1.3320282270e+05 -6.4086913273e+02 2.7591688526e+02 -1.1950838624e+01 -2.7082543605e+02 -3.9938713317e+02 4.1294275108e+01 8.4835000000e+04 2.8052967287e+01 9.9115131872e-01
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59 -3.6498683204e+02 1.3322818717e+05 -6.4082788051e+02 2.7584104847e+02 -1.1891024615e+01 -2.7082543605e+02 -3.9922811537e+02 4.1116695520e+01 8.4477000000e+04 2.8113019544e+01 9.9113480496e-01
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60 -3.6497043385e+02 1.3321630631e+05 -6.4066529634e+02 2.7569486249e+02 -1.1826514560e+01 -2.7082543605e+02 -3.9932349403e+02 4.1310148291e+01 8.3454000000e+04 2.8406095104e+01 9.9118139504e-01
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61 -3.6499326394e+02 1.3323355031e+05 -6.4065512995e+02 2.7566186601e+02 -1.1763028514e+01 -2.7082543605e+02 -3.9918946637e+02 4.1122800981e+01 8.2168000000e+04 2.7107608109e+01 9.9121514542e-01
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62 -3.6494785371e+02 1.3319975610e+05 -6.4054979287e+02 2.7560193916e+02 -1.1818794607e+01 -2.7082543605e+02 -3.9888690912e+02 4.0981346904e+01 8.1932000000e+04 2.6834330950e+01 9.9112975155e-01
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63 -3.6498133829e+02 1.3322434738e+05 -6.4060170299e+02 2.7562036470e+02 -1.1794935590e+01 -2.7082543605e+02 -3.9886934538e+02 4.0888014020e+01 8.1367000000e+04 2.5554052984e+01 9.9114491084e-01
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64 -3.6498903939e+02 1.3323000786e+05 -6.4077572290e+02 2.7578668351e+02 -1.1935220261e+01 -2.7082543605e+02 -3.9912920413e+02 4.1114137537e+01 8.1764000000e+04 2.5865971402e+01 9.9113476599e-01
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65 -3.6493589342e+02 1.3319095926e+05 -6.4055140606e+02 2.7561551264e+02 -1.1981778531e+01 -2.7082543605e+02 -3.9912698490e+02 4.1382793418e+01 8.2132000000e+04 2.7028739489e+01 9.9117240101e-01
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66 -3.6490609281e+02 1.3316907774e+05 -6.4097306371e+02 2.7606697090e+02 -1.1964088485e+01 -2.7082543605e+02 -3.9950471463e+02 4.1321175447e+01 8.1240000000e+04 2.5915057778e+01 9.9114914269e-01
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67 -3.6495198355e+02 1.3320263559e+05 -6.4096456966e+02 2.7601258611e+02 -1.1922913208e+01 -2.7082543605e+02 -3.9955567631e+02 4.1339455897e+01 8.0980000000e+04 2.5443476831e+01 9.9118027438e-01
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68 -3.6497155322e+02 1.3321721850e+05 -6.4033693135e+02 2.7536537813e+02 -1.1912702836e+01 -2.7082543605e+02 -3.9895088225e+02 4.1352089781e+01 8.1789000000e+04 2.5932581885e+01 9.9118599795e-01
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69 -3.6495226192e+02 1.3320278716e+05 -6.4038474713e+02 2.7543248521e+02 -1.1979120391e+01 -2.7082543605e+02 -3.9870660398e+02 4.1126413283e+01 8.0792000000e+04 2.5404822073e+01 9.9116973731e-01
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