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 -2.0458601186e+02 4.1863063844e+04 -3.6025321928e+02 1.5566720742e+02 -6.5952536856e+00 -1.5233933303e+02 -2.2402297847e+02 2.2704345910e+01 8.8795000000e+04 8.8637301410e+00 9.9108112228e-01
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1 -2.0475946423e+02 4.1934026818e+04 -3.6054639394e+02 1.5578692971e+02 -6.7165811407e+00 -1.5233933303e+02 -2.2429959985e+02 2.2809120087e+01 8.8627000000e+04 8.8187043859e+00 9.9109023054e-01
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2 -2.0480987876e+02 4.1954639454e+04 -3.6049520688e+02 1.5568532812e+02 -6.8587826872e+00 -1.5233933303e+02 -2.2406637050e+02 2.2769279346e+01 8.7086000000e+04 8.7934682965e+00 9.9110120277e-01
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3 -2.0484498614e+02 4.1969022352e+04 -3.6056178176e+02 1.5571679563e+02 -6.8808516218e+00 -1.5233933303e+02 -2.2394716811e+02 2.2605571005e+01 8.6000000000e+04 8.7789070984e+00 9.9113689003e-01
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4 -2.0487283329e+02 4.1980573936e+04 -3.6061990635e+02 1.5574707306e+02 -6.8907732310e+00 -1.5233933303e+02 -2.2403702888e+02 2.2647228786e+01 8.6134000000e+04 8.7738329402e+00 9.9110135424e-01
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5 -2.0488115016e+02 4.1983851098e+04 -3.6096135750e+02 1.5608020734e+02 -6.7510378418e+00 -1.5233933303e+02 -2.2464196712e+02 2.2770980497e+01 8.6193000000e+04 8.7598612395e+00 9.9112177022e-01
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6 -2.0488791542e+02 4.1986615202e+04 -3.6104956322e+02 1.5616164780e+02 -6.7827815786e+00 -1.5233933303e+02 -2.2481108077e+02 2.2883632167e+01 8.4712000000e+04 8.7587133875e+00 9.9106006745e-01
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7 -2.0490223119e+02 4.1992510631e+04 -3.6102351926e+02 1.5612128807e+02 -6.8207674175e+00 -1.5233933303e+02 -2.2467057657e+02 2.2807157766e+01 8.3664000000e+04 8.6715145743e+00 9.9106426763e-01
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8 -2.0491770443e+02 4.1998846158e+04 -3.6080659489e+02 1.5588889046e+02 -6.8268117628e+00 -1.5233933303e+02 -2.2444486861e+02 2.2804418522e+01 8.3340000000e+04 8.6356007380e+00 9.9109788650e-01
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9 -2.0491389609e+02 4.1997302867e+04 -3.6096767821e+02 1.5605378212e+02 -6.7626177342e+00 -1.5233933303e+02 -2.2464000807e+02 2.2774280625e+01 8.3347000000e+04 8.6773113465e+00 9.9103426392e-01
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10 -2.0489030247e+02 4.1987858458e+04 -3.6088063789e+02 1.5599033542e+02 -6.8553310369e+00 -1.5233933303e+02 -2.2452631620e+02 2.2840342383e+01 8.3181000000e+04 8.8456151918e+00 9.9108756470e-01
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11 -2.0491946263e+02 4.1999630644e+04 -3.6084113513e+02 1.5592167249e+02 -6.9145034447e+00 -1.5233933303e+02 -2.2432215130e+02 2.2734852650e+01 8.2946000000e+04 8.5943057753e+00 9.9104760073e-01
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12 -2.0492722797e+02 4.2002989606e+04 -3.6075510494e+02 1.5582787697e+02 -6.9578598187e+00 -1.5233933303e+02 -2.2421245615e+02 2.2754544065e+01 8.3215000000e+04 8.6216571301e+00 9.9109689088e-01
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13 -2.0494668450e+02 4.2010718521e+04 -3.6042256706e+02 1.5547588257e+02 -6.9606221394e+00 -1.5233933303e+02 -2.2383167827e+02 2.2709066377e+01 8.3326000000e+04 8.6664012086e+00 9.9113163495e-01
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14 -2.0495402643e+02 4.2013658791e+04 -3.6028201233e+02 1.5532798590e+02 -6.9458866781e+00 -1.5233933303e+02 -2.2387915731e+02 2.2882364694e+01 8.4025000000e+04 8.7131261665e+00 9.9110327973e-01
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15 -2.0495723777e+02 4.2015133751e+04 -3.6056696052e+02 1.5560972275e+02 -6.8886531916e+00 -1.5233933303e+02 -2.2403092678e+02 2.2691952481e+01 8.3960000000e+04 8.7380464925e+00 9.9113746764e-01
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16 -2.0494576079e+02 4.2010460433e+04 -3.6085822298e+02 1.5591246219e+02 -6.8647990506e+00 -1.5233933303e+02 -2.2438541707e+02 2.2731326172e+01 8.3641000000e+04 8.7004179765e+00 9.9107936945e-01
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17 -2.0493254657e+02 4.2004880583e+04 -3.6103788703e+02 1.5610534046e+02 -6.8133593199e+00 -1.5233933303e+02 -2.2468522667e+02 2.2800031994e+01 8.3141000000e+04 8.6241327603e+00 9.9105348433e-01
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18 -2.0494154788e+02 4.2008751641e+04 -3.6113548208e+02 1.5619393419e+02 -6.7439563334e+00 -1.5233933303e+02 -2.2474718600e+02 2.2694993286e+01 8.3217000000e+04 8.5926172150e+00 9.9100853469e-01
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19 -2.0495089175e+02 4.2012599266e+04 -3.6096853267e+02 1.5601764092e+02 -6.8604022888e+00 -1.5233933303e+02 -2.2454767992e+02 2.2778882571e+01 8.3295000000e+04 8.6605828963e+00 9.9112738016e-01
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20 -2.0495164384e+02 4.2012793130e+04 -3.6076892928e+02 1.5581728544e+02 -6.8168141284e+00 -1.5233933303e+02 -2.2435575524e+02 2.2742973121e+01 8.2586000000e+04 8.7485936398e+00 9.9108610722e-01
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21 -2.0491121504e+02 4.1996229829e+04 -3.6103917492e+02 1.5612795989e+02 -6.9251976106e+00 -1.5233933303e+02 -2.2440355466e+02 2.2628910380e+01 8.1521000000e+04 8.0218041358e+00 9.9103807588e-01
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22 -2.0491776892e+02 4.1999169051e+04 -3.6100828811e+02 1.5609051919e+02 -6.8793164695e+00 -1.5233933303e+02 -2.2433577793e+02 2.2546139324e+01 8.1445000000e+04 7.8923979792e+00 9.9109908563e-01
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23 -2.0492135326e+02 4.2000304039e+04 -3.6107306030e+02 1.5615170704e+02 -6.8188511692e+00 -1.5233933303e+02 -2.2468792477e+02 2.2773048673e+01 8.0698000000e+04 7.8818327407e+00 9.9107261056e-01
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24 -2.0493161293e+02 4.2004870709e+04 -3.6101149320e+02 1.5607988026e+02 -6.8213463034e+00 -1.5233933303e+02 -2.2461439757e+02 2.2763583705e+01 8.1118000000e+04 7.9172092132e+00 9.9107264388e-01
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25 -2.0492918573e+02 4.2003495820e+04 -3.6099486790e+02 1.5606568218e+02 -6.7720302161e+00 -1.5233933303e+02 -2.2462778708e+02 2.2744282428e+01 8.1150000000e+04 7.9081291287e+00 9.9106396154e-01
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26 -2.0495213895e+02 4.2013011307e+04 -3.6113998616e+02 1.5618784721e+02 -6.7935129341e+00 -1.5233933303e+02 -2.2468239413e+02 2.2675253945e+01 8.1264000000e+04 7.9090154307e+00 9.9105411335e-01
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27 -2.0493838908e+02 4.2007449791e+04 -3.6109157154e+02 1.5615318246e+02 -6.8298823255e+00 -1.5233933303e+02 -2.2465824988e+02 2.2735893700e+01 8.1871000000e+04 8.0805922566e+00 9.9113513377e-01
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28 -2.0497044537e+02 4.2020490344e+04 -3.6079669393e+02 1.5582624856e+02 -6.9224242777e+00 -1.5233933303e+02 -2.2423486345e+02 2.2699926832e+01 8.2205000000e+04 8.2966797880e+00 9.9105739305e-01
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29 -2.0496747954e+02 4.2019299846e+04 -3.6067875002e+02 1.5571127048e+02 -6.9401724469e+00 -1.5233933303e+02 -2.2407078817e+02 2.2671543623e+01 8.2419000000e+04 8.5734859070e+00 9.9116284216e-01
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30 -2.0498182354e+02 4.2025213733e+04 -3.6064954442e+02 1.5566772088e+02 -6.9433250253e+00 -1.5233933303e+02 -2.2415593213e+02 2.2789045770e+01 8.2546000000e+04 8.7514192417e+00 9.9110235580e-01
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31 -2.0495338742e+02 4.2013558942e+04 -3.6079162683e+02 1.5583823942e+02 -6.9547334127e+00 -1.5233933303e+02 -2.2410159606e+02 2.2604035672e+01 8.3116000000e+04 8.5910515718e+00 9.9105640603e-01
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32 -2.0493293584e+02 4.2005086649e+04 -3.6078834827e+02 1.5585541243e+02 -7.0346010611e+00 -1.5233933303e+02 -2.2418353077e+02 2.2769116592e+01 8.3215000000e+04 8.6190331707e+00 9.9111101584e-01
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33 -2.0492916692e+02 4.2003488810e+04 -3.6094104971e+02 1.5601188279e+02 -7.0546494010e+00 -1.5233933303e+02 -2.2430993991e+02 2.2762872636e+01 8.3092000000e+04 8.6153218783e+00 9.9117625962e-01
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34 -2.0491998763e+02 4.1999800893e+04 -3.6080930641e+02 1.5588931879e+02 -7.0914258179e+00 -1.5233933303e+02 -2.2411279460e+02 2.2734247037e+01 8.2493000000e+04 8.5268892582e+00 9.9110770463e-01
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35 -2.0496522939e+02 4.2018268948e+04 -3.6076809783e+02 1.5580286844e+02 -7.0734272515e+00 -1.5233933303e+02 -2.2411356868e+02 2.2758231130e+01 8.2586000000e+04 8.5208930219e+00 9.9111942579e-01
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36 -2.0493667688e+02 4.2006546335e+04 -3.6074610179e+02 1.5580942490e+02 -7.0911470367e+00 -1.5233933303e+02 -2.2400738940e+02 2.2691767681e+01 8.3022000000e+04 8.5596173737e+00 9.9105632146e-01
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37 -2.0493434058e+02 4.2005769226e+04 -3.6051257591e+02 1.5557823533e+02 -7.1287032657e+00 -1.5233933303e+02 -2.2386638225e+02 2.2821842641e+01 8.2491000000e+04 8.5469560857e+00 9.9113606212e-01
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38 -2.0493411001e+02 4.2005572984e+04 -3.6075326722e+02 1.5581915721e+02 -7.0296278287e+00 -1.5233933303e+02 -2.2410175376e+02 2.2717447396e+01 8.2471000000e+04 8.5415189294e+00 9.9110273437e-01
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39 -2.0494740039e+02 4.2011058833e+04 -3.6074388140e+02 1.5579648101e+02 -7.0966387914e+00 -1.5233933303e+02 -2.2405528198e+02 2.2747372403e+01 8.2524000000e+04 8.5006859166e+00 9.9109709624e-01
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40 -2.0495480057e+02 4.2014251328e+04 -3.6089740718e+02 1.5594260661e+02 -7.0184221615e+00 -1.5233933303e+02 -2.2437598727e+02 2.2836335282e+01 8.3333000000e+04 8.8541938275e+00 9.9107236758e-01
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41 -2.0492941097e+02 4.2003676606e+04 -3.6090180746e+02 1.5597239649e+02 -6.9648685596e+00 -1.5233933303e+02 -2.2439629916e+02 2.2798693296e+01 8.3107000000e+04 8.6228449560e+00 9.9104297320e-01
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42 -2.0495267708e+02 4.2013375528e+04 -3.6128760399e+02 1.5633492691e+02 -6.9072535110e+00 -1.5233933303e+02 -2.2489260266e+02 2.2851585215e+01 8.3000000000e+04 8.5856979285e+00 9.9106949902e-01
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43 -2.0499634565e+02 4.2031140187e+04 -3.6114982524e+02 1.5615347959e+02 -6.8886958727e+00 -1.5233933303e+02 -2.2486983174e+02 2.2948035404e+01 8.3629000000e+04 8.6935383999e+00 9.9104405457e-01
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44 -2.0493472314e+02 4.2005770270e+04 -3.6126480091e+02 1.5633007777e+02 -6.9955928761e+00 -1.5233933303e+02 -2.2455742662e+02 2.2627551617e+01 8.3903000000e+04 8.7179227614e+00 9.9110203806e-01
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45 -2.0491662840e+02 4.1998683539e+04 -3.6109147273e+02 1.5617484433e+02 -7.0021463614e+00 -1.5233933303e+02 -2.2448742234e+02 2.2737429012e+01 8.3442000000e+04 8.6427103226e+00 9.9108598181e-01
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46 -2.0493987496e+02 4.2008152652e+04 -3.6097885505e+02 1.5603898010e+02 -7.0172985397e+00 -1.5233933303e+02 -2.2432441396e+02 2.2702190475e+01 8.3021000000e+04 8.5733076592e+00 9.9108396584e-01
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47 -2.0496382752e+02 4.2017573173e+04 -3.6090285815e+02 1.5593903063e+02 -6.9605803004e+00 -1.5233933303e+02 -2.2434286693e+02 2.2739922116e+01 8.3153000000e+04 8.5997345130e+00 9.9106890206e-01
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48 -2.0491704994e+02 4.1998712655e+04 -3.6090980573e+02 1.5599275579e+02 -6.8844145647e+00 -1.5233933303e+02 -2.2436479088e+02 2.2678732747e+01 8.2801000000e+04 8.5794558662e+00 9.9110955902e-01
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49 -2.0492369417e+02 4.2001301707e+04 -3.6099427020e+02 1.5607057604e+02 -6.8159754996e+00 -1.5233933303e+02 -2.2452359630e+02 2.2684634626e+01 8.2524000000e+04 8.5188578163e+00 9.9103648617e-01
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50 -2.0494062459e+02 4.2008422852e+04 -3.6090045112e+02 1.5595982652e+02 -6.8603697907e+00 -1.5233933303e+02 -2.2445308754e+02 2.2752339249e+01 8.2848000000e+04 8.7685543060e+00 9.9111600884e-01
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51 -2.0495163871e+02 4.2012781102e+04 -3.6108699165e+02 1.5613535294e+02 -6.8329137111e+00 -1.5233933303e+02 -2.2469052279e+02 2.2775777881e+01 8.2514000000e+04 8.5621272853e+00 9.9112785094e-01
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52 -2.0494965403e+02 4.2011970082e+04 -3.6098104719e+02 1.5603139317e+02 -6.9043359780e+00 -1.5233933303e+02 -2.2438627304e+02 2.2648894857e+01 8.2839000000e+04 8.5736489931e+00 9.9108459782e-01
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53 -2.0493973317e+02 4.2007888652e+04 -3.6100963289e+02 1.5606989972e+02 -6.8682258989e+00 -1.5233933303e+02 -2.2456755862e+02 2.2765484658e+01 8.2535000000e+04 8.5890878690e+00 9.9107985600e-01
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54 -2.0494586177e+02 4.2010572991e+04 -3.6126026631e+02 1.5631440454e+02 -6.9489083483e+00 -1.5233933303e+02 -2.2480504846e+02 2.2833023525e+01 8.2136000000e+04 8.3631811091e+00 9.9103845313e-01
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55 -2.0493436197e+02 4.2005691588e+04 -3.6097368892e+02 1.5603932695e+02 -6.9602355163e+00 -1.5233933303e+02 -2.2445539081e+02 2.2781270431e+01 8.2147000000e+04 8.4361658706e+00 9.9111650727e-01
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56 -2.0495396128e+02 4.2013729071e+04 -3.6077050051e+02 1.5581653923e+02 -7.0190620093e+00 -1.5233933303e+02 -2.2420630192e+02 2.2794196453e+01 8.1994000000e+04 8.1936377124e+00 9.9107827985e-01
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57 -2.0496986354e+02 4.2020075390e+04 -3.6076735134e+02 1.5579748781e+02 -6.9824196058e+00 -1.5233933303e+02 -2.2421718070e+02 2.2771581998e+01 8.2505000000e+04 8.5113826291e+00 9.9109751077e-01
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58 -2.0498893779e+02 4.2028091298e+04 -3.6084129086e+02 1.5585235307e+02 -6.9725142467e+00 -1.5233933303e+02 -2.2430282097e+02 2.2773377391e+01 8.3049000000e+04 8.6101214902e+00 9.9109539241e-01
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59 -2.0495464139e+02 4.2014090234e+04 -3.6080932468e+02 1.5585468329e+02 -6.8637925063e+00 -1.5233933303e+02 -2.2435907163e+02 2.2752872492e+01 8.3706000000e+04 8.7466238631e+00 9.9115057271e-01
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60 -2.0493492408e+02 4.2005947565e+04 -3.6119504388e+02 1.5626011980e+02 -6.8815707100e+00 -1.5233933303e+02 -2.2475031834e+02 2.2776178208e+01 8.3561000000e+04 8.9262418164e+00 9.9108229063e-01
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61 -2.0495493216e+02 4.2014160862e+04 -3.6089194128e+02 1.5593700912e+02 -6.9059820968e+00 -1.5233933303e+02 -2.2440976712e+02 2.2763140978e+01 8.2307000000e+04 8.4563006887e+00 9.9111350829e-01
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62 -2.0497445020e+02 4.2022409988e+04 -3.6095331079e+02 1.5597886059e+02 -6.9005381182e+00 -1.5233933303e+02 -2.2459422679e+02 2.2880787146e+01 8.1812000000e+04 8.0137624762e+00 9.9105300249e-01
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63 -2.0494260237e+02 4.2009425841e+04 -3.6104743530e+02 1.5610483292e+02 -6.8299526466e+00 -1.5233933303e+02 -2.2471757682e+02 2.2839427204e+01 8.1498000000e+04 7.9441380051e+00 9.9100300654e-01
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64 -2.0493886078e+02 4.2007718680e+04 -3.6110094118e+02 1.5616208040e+02 -6.8019504527e+00 -1.5233933303e+02 -2.2491991964e+02 2.2960261950e+01 8.1665000000e+04 7.9268079140e+00 9.9108966686e-01
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65 -2.0496561491e+02 4.2018575230e+04 -3.6115633245e+02 1.5619071754e+02 -6.8165471396e+00 -1.5233933303e+02 -2.2490949761e+02 2.2909045328e+01 8.1621000000e+04 8.0374776011e+00 9.9108015559e-01
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66 -2.0493411089e+02 4.2005586760e+04 -3.6089492121e+02 1.5596081032e+02 -6.8781571915e+00 -1.5233933303e+02 -2.2453931276e+02 2.2861881770e+01 8.1209000000e+04 7.8909621646e+00 9.9108631541e-01
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67 -2.0495572545e+02 4.2014651988e+04 -3.6065779020e+02 1.5570206476e+02 -6.9331823482e+00 -1.5233933303e+02 -2.2409441120e+02 2.2709136383e+01 8.1536000000e+04 8.0022089446e+00 9.9109505867e-01
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68 -2.0496474350e+02 4.2018137993e+04 -3.6066538403e+02 1.5570064053e+02 -6.9234584849e+00 -1.5233933303e+02 -2.2407397606e+02 2.2671383539e+01 8.1616000000e+04 7.9138575510e+00 9.9106444530e-01
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69 -2.0498117288e+02 4.2024982913e+04 -3.6069245324e+02 1.5571128037e+02 -6.9798778069e+00 -1.5233933303e+02 -2.2415335822e+02 2.2780115821e+01 8.1546000000e+04 7.9010518324e+00 9.9106351234e-01
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70 -2.0497696400e+02 4.2023089033e+04 -3.6068077495e+02 1.5570381095e+02 -6.9970288565e+00 -1.5233933303e+02 -2.2406343594e+02 2.2719022877e+01 8.2778000000e+04 8.7361344934e+00 9.9109845778e-01
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