mirror of https://github.com/QMCPACK/qmcpack.git
180 lines
40 KiB
XML
180 lines
40 KiB
XML
<?xml version="1.0"?>
|
|
<qmcsystem>
|
|
<sposet name="spo-dn">
|
|
<center num="0">
|
|
<orbital num="0" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.01238189361459e-02" a1="9.57628131443156e-01" a2="-3.00245536635636e+00" a3="3.77191420078154e-01" a4="-1.96515269075753e+00" a5="1.13469283543307e+01"/>
|
|
<orbital num="1" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="8.76485658479979e-02" a1="-1.19688013091567e+00" a2="-2.78981086121198e+00" a3="5.25805103150951e-02" a4="-3.60654693105435e+00" a5="1.89645287100649e+01"/>
|
|
<orbital num="2" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.83275605524175e-02" a1="-1.14513901183176e+00" a2="-3.05987534280823e+00" a3="-1.24792667313349e+00" a4="-2.69972505577580e+01" a5="1.61350117429802e+02"/>
|
|
<orbital num="3" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.04917161085672e-01" a1="-3.18069441758666e+01" a2="1.81489769860047e+00" a3="-2.61576833023301e+00" a4="-3.18652619180878e+01" a5="1.67820077432012e+02"/>
|
|
<orbital num="4" C="-2.65026744158753e-14" sg="1.00000000000000e+00" rc="1.02979280386019e-01" a1="-2.30790665459880e+01" a2="-2.99965979256338e+00" a3="-5.20372289539822e+03" a4="6.78005111606440e+04" a5="-2.47472418929697e+05"/>
|
|
<orbital num="5" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-2.90719091144863e-01" a2="-3.00300688532614e+00" a3="1.22876503195590e-01" a4="-8.95785160908589e+01" a5="4.20097506937731e+02"/>
|
|
<orbital num="6" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="1.29710586085694e+00" a2="-2.92040909790907e+00" a3="1.60943774769239e-01" a4="-1.47238772033818e+02" a5="6.87753932350937e+02"/>
|
|
<orbital num="7" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.98407385450482e-02" a1="-1.30612901471391e+00" a2="-5.64014231987270e+00" a3="-3.76946769984598e+01" a4="9.77734168189866e+01" a5="-1.96235624995940e+03"/>
|
|
<orbital num="8" C="6.10870099588360e-15" sg="-1.00000000000000e+00" rc="1.15539779906556e-01" a1="-1.82622753092712e+01" a2="-2.99999913182643e+00" a3="-6.98742710961187e+03" a4="8.10813835667304e+04" a5="-2.63736095651533e+05"/>
|
|
<orbital num="9" C="1.74646456024455e-14" sg="-1.00000000000000e+00" rc="1.07178453518689e-01" a1="-6.09678472489011e+00" a2="-2.99999999999218e+00" a3="-1.38702435560382e+04" a4="1.72877334191759e+05" a5="-6.05290790059018e+05"/>
|
|
<orbital num="10" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.00719095613851e-01" a1="-1.90791342149871e+00" a2="1.32284552921845e+00" a3="-1.59847423731911e+00" a4="-4.64250762497378e+00" a5="2.60078750575147e+01"/>
|
|
<orbital num="11" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.48962937464284e-01" a1="-3.25724508071234e+01" a2="-1.14950330766574e+00" a3="2.64214167981678e+00" a4="-9.25854130455040e+01" a5="3.18887260985751e+02"/>
|
|
<orbital num="12" C="-1.75121809872743e-14" sg="1.00000000000000e+00" rc="1.34727190029490e-01" a1="-2.39524222529037e+01" a2="-2.99904432222788e+00" a3="-3.02041180265246e+03" a4="3.05597648094238e+04" a5="-8.59759851009064e+04"/>
|
|
<orbital num="13" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-9.27335362772212e-01" a2="-2.62898460860324e+00" a3="5.91124406818458e-01" a4="-2.30698231613461e+02" a5="1.07841543373983e+03"/>
|
|
<orbital num="14" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.01246815691954e-02" a1="-3.30340404472594e+01" a2="-8.75149001752774e+00" a3="-9.41141277596525e+01" a4="1.45494247900146e+03" a5="-1.19790099376516e+04"/>
|
|
<orbital num="15" C="-1.69082710706721e-14" sg="1.00000000000000e+00" rc="1.08845422961566e-01" a1="-2.46752294448015e+01" a2="-2.99909514365372e+00" a3="-4.12685543005014e+03" a4="5.11236186294141e+04" a5="-1.76981813079845e+05"/>
|
|
<orbital num="16" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.68320856346391e-02" a1="-2.54124125783032e+01" a2="5.33613197975511e-01" a3="-3.20613217111420e+00" a4="2.28270823989062e+02" a5="-1.25825807829870e+03"/>
|
|
<orbital num="17" C="9.89823873675747e-13" sg="-1.00000000000000e+00" rc="9.74072630255383e-02" a1="-6.31871270422988e+00" a2="-2.99999999868719e+00" a3="-1.43411530542682e+04" a4="1.97630634143471e+05" a5="-7.63241616831689e+05"/>
|
|
<orbital num="18" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.80622628069166e-02" a1="-1.56343616509183e+00" a2="-6.77754107392176e+00" a3="-1.15406989542171e+02" a4="1.76309607943198e+03" a5="-1.62921809699833e+04"/>
|
|
<orbital num="19" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-8.86191275165305e-01" a2="-1.40649378880713e+00" a3="1.93145316854347e+00" a4="-1.35160244764367e+02" a5="6.62906926885213e+02"/>
|
|
<orbital num="20" C="-2.94226322865234e-14" sg="1.00000000000000e+00" rc="1.21121344826108e-01" a1="-2.36098103792288e+01" a2="-2.99941582406388e+00" a3="-3.49830121561641e+03" a4="3.88283106959898e+04" a5="-1.20597445733999e+05"/>
|
|
<orbital num="21" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.08253959320039e-02" a1="-3.01831176976223e+01" a2="-2.05822905936353e+00" a3="-1.83567905812357e-01" a4="-2.82079897786216e+02" a5="1.76294091632119e+03"/>
|
|
<orbital num="22" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-4.46756221260441e-02" a2="-1.72298219491996e+00" a3="2.07734636985053e+00" a4="-1.71474041479209e+02" a5="8.34100260526471e+02"/>
|
|
<orbital num="23" C="2.41448667438167e-13" sg="-1.00000000000000e+00" rc="1.26271903467109e-01" a1="-6.66877842420770e+00" a2="-2.99999999966133e+00" a3="-8.92757893830220e+03" a4="9.49634538085871e+04" a5="-2.83017614943760e+05"/>
|
|
<orbital num="24" C="1.18594823799088e-13" sg="-1.00000000000000e+00" rc="1.19409398748022e-01" a1="-1.80534802919082e+01" a2="-2.99998385517285e+00" a3="-5.52954034101585e+03" a4="6.26699623159981e+04" a5="-1.98266036399812e+05"/>
|
|
<orbital num="25" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-4.06115830088482e-01" a2="-2.32164868431603e+00" a3="1.34655196600604e+00" a4="-2.12174957523136e+02" a5="1.00905278494420e+03"/>
|
|
<orbital num="26" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.85531303253991e-01" a1="-2.34917809308214e+01" a2="-1.06847706692689e+00" a3="1.50683536762302e+00" a4="-1.93298087977471e+01" a5="5.31880973462087e+01"/>
|
|
<orbital num="27" C="1.54092766336193e-12" sg="-1.00000000000000e+00" rc="1.08716622961566e-01" a1="-5.43233980224964e+00" a2="-2.99999999922855e+00" a3="-1.17198413255716e+04" a4="1.44683338220735e+05" a5="-5.00586771685086e+05"/>
|
|
<orbital num="28" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-8.71205258462987e-01" a2="-1.55493848568397e+00" a3="2.14350301074264e+00" a4="-1.49149788713949e+02" a5="7.29782921276371e+02"/>
|
|
<orbital num="29" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-5.05734915791125e-01" a2="-2.68950968992152e+00" a3="4.51148187064427e-01" a4="-2.41112773538661e+02" a5="1.12194895233822e+03"/>
|
|
<orbital num="30" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-5.84153762582146e-01" a2="-1.09012509000819e+00" a3="2.66142626841678e+00" a4="-1.64897578708614e+02" a5="8.12977894087221e+02"/>
|
|
<orbital num="31" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-1.26993314625488e-01" a2="-1.68237031704830e-01" a3="6.76818496178608e-01" a4="-3.03373259644107e+01" a5="1.50494009410053e+02"/>
|
|
<orbital num="32" C="2.12115258738629e-13" sg="-1.00000000000000e+00" rc="1.66765934737679e-01" a1="-1.59189302237576e+01" a2="-2.99999789075847e+00" a3="-3.09029581124347e+03" a4="2.49233038761557e+04" a5="-5.62537275378547e+04"/>
|
|
<orbital num="33" C="-3.27326515643319e-13" sg="1.00000000000000e+00" rc="1.17442309493938e-01" a1="-2.40464304977530e+01" a2="-2.99093355193264e+00" a3="-2.45659815317361e+03" a4="2.81386572588156e+04" a5="-9.01285650109435e+04"/>
|
|
<orbital num="34" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-4.59987152073930e-01" a2="-1.42427850643315e+00" a3="1.89776500211972e+00" a4="-1.27525268024396e+02" a5="6.25729118500602e+02"/>
|
|
<orbital num="35" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-1.01742905998799e+00" a2="-8.99437291760126e-01" a3="1.90587203262398e+00" a4="-1.08082085692448e+02" a5="5.35019023485062e+02"/>
|
|
<orbital num="36" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-8.84290209914212e-01" a2="2.36708760737808e-01" a3="6.95150988631560e-03" a4="-1.00157757814334e+01" a5="4.87491096766865e+01"/>
|
|
<orbital num="37" C="4.86603830791133e-13" sg="-1.00000000000000e+00" rc="1.16093518265370e-01" a1="-2.70472832692521e+01" a2="-2.75300564788800e+00" a3="-9.98334276875922e+02" a4="1.16722200228017e+04" a5="-3.79359826686846e+04"/>
|
|
<orbital num="38" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.17400686728288e-01" a1="-2.88722236308480e+01" a2="8.13295571921505e-01" a3="-8.07918973856344e-01" a4="1.69810335151202e+00" a5="-8.53793275335353e+00"/>
|
|
<orbital num="39" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.99355336887792e-02" a1="-2.43848938345850e+01" a2="2.24802854032974e+00" a3="-3.74513213168599e+00" a4="-1.98715710139263e+01" a5="1.16806201373442e+02"/>
|
|
<orbital num="40" C="9.79413405801635e-13" sg="-1.00000000000000e+00" rc="1.08082336262988e-01" a1="-1.87887442740045e+01" a2="-2.99962918220805e+00" a3="-5.27256368125298e+03" a4="6.61620532502919e+04" a5="-2.31418795440238e+05"/>
|
|
<orbital num="41" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-8.59921102107446e-01" a2="-1.29681971126378e+00" a3="1.78859287101272e+00" a4="-1.13641397632224e+02" a5="5.59067242296129e+02"/>
|
|
<orbital num="42" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.02459418404015e-01" a1="-2.94607778017070e+01" a2="-1.72703152555862e+00" a3="1.93502643337694e+00" a4="-1.59594949560871e+02" a5="7.97038853248539e+02"/>
|
|
<orbital num="43" C="4.49416678533376e-13" sg="-1.00000000000000e+00" rc="1.16058911698192e-01" a1="-1.13104828342134e+01" a2="-2.99999992845079e+00" a3="-8.25459048227662e+03" a4="9.57937840971886e+04" a5="-3.11059853218374e+05"/>
|
|
<orbital num="44" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.47417485348917e-01" a1="-2.54221617774566e+01" a2="-4.47082120652478e+00" a3="-1.63164171876357e+01" a4="3.07190036404201e+01" a5="-4.52429873073191e+02"/>
|
|
<orbital num="45" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.90977367960463e-02" a1="-2.68832232666699e+01" a2="-4.37914965034427e+00" a3="-9.51888853592270e+00" a4="-2.51574528748337e+02" a5="1.14093960031011e+03"/>
|
|
<orbital num="46" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-2.63284324244727e+00" a2="2.76291261891981e-01" a3="2.86711943224649e-01" a4="-5.83692140936741e+01" a5="2.92039508450123e+02"/>
|
|
<orbital num="47" C="2.61657385808773e-15" sg="-1.00000000000000e+00" rc="1.84867931082204e-01" a1="-3.22697165999888e+01" a2="-2.47521402722956e+00" a3="-3.92117669069381e+02" a4="2.91800923239304e+03" a5="-5.97884360599463e+03"/>
|
|
<orbital num="48" C="1.36423332186644e-15" sg="-1.00000000000000e+00" rc="9.55049259217704e-02" a1="-2.68406376107358e+01" a2="-2.99769109636467e+00" a3="-5.86031085467796e+03" a4="8.36648528358981e+04" a5="-3.32093175934965e+05"/>
|
|
<orbital num="49" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.85532341815285e-02" a1="-3.08681062576801e+00" a2="-5.61171201512532e+00" a3="-7.40509039706349e+01" a4="5.78544835250391e+02" a5="-7.52059317662819e+03"/>
|
|
<orbital num="50" C="1.52834680759907e-13" sg="-1.00000000000000e+00" rc="1.06700711381960e-01" a1="-9.18605629171138e+00" a2="-2.99999999908796e+00" a3="-1.11153622824139e+04" a4="1.38867227543416e+05" a5="-4.87951058075737e+05"/>
|
|
<orbital num="51" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.03670193102737e-01" a1="-3.01939599308236e+01" a2="-6.92201703383809e-01" a3="1.73288298399215e+00" a4="-1.03227251464194e+02" a5="5.18686955717787e+02"/>
|
|
<orbital num="52" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-1.01995426011661e+00" a2="-5.32087596493562e-01" a3="1.40652017811292e+00" a4="-8.03894113723139e+01" a5="3.99437815281977e+02"/>
|
|
<orbital num="53" C="4.21557340434470e-13" sg="-1.00000000000000e+00" rc="1.15934231698827e-01" a1="-2.62375057581523e+01" a2="-2.89136948313954e+00" a3="-1.44525298974641e+03" a4="1.69071878419602e+04" a5="-5.50276150829413e+04"/>
|
|
<orbital num="54" C="9.45260264944796e-14" sg="-1.00000000000000e+00" rc="1.46796856141905e-01" a1="-1.96745502716444e+01" a2="-2.99999044854799e+00" a3="-3.00885871701555e+03" a4="2.72327691688423e+04" a5="-6.95176044507010e+04"/>
|
|
<orbital num="55" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-1.09062370310550e+00" a2="3.04924858252877e-01" a3="-4.68232992656260e-01" a4="2.72071455027581e+01" a5="-1.39143790176864e+02"/>
|
|
<orbital num="56" C="1.20494538627968e-13" sg="-1.00000000000000e+00" rc="1.09488928369566e-01" a1="-6.84133329740815e+00" a2="-2.99999999996804e+00" a3="-1.17895707080078e+04" a4="1.43392500622914e+05" a5="-4.90941661347856e+05"/>
|
|
<orbital num="57" C="2.94802960429715e-13" sg="-1.00000000000000e+00" rc="1.27524716549392e-01" a1="-1.83546282917001e+01" a2="-2.99997779739235e+00" a3="-4.18743925666904e+03" a4="4.39110777480647e+04" a5="-1.29245438526485e+05"/>
|
|
<orbital num="58" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.34044275402204e-01" a1="-2.81625059185526e+01" a2="-3.74648591283990e-01" a3="8.34656235388290e-01" a4="-2.88454613975253e+01" a5="1.11675722323084e+02"/>
|
|
<orbital num="59" C="-1.27399288967292e-12" sg="1.00000000000000e+00" rc="8.08351950610847e-02" a1="-2.51414611352000e+01" a2="-5.74097881599980e-01" a3="-1.03771217690008e+04" a4="2.18156056669916e+05" a5="-1.18796148213907e+06"/>
|
|
<orbital num="60" C="3.13765567313533e-12" sg="-1.00000000000000e+00" rc="1.07668140230189e-01" a1="-5.33279220373444e+00" a2="-2.99999999925522e+00" a3="-1.14688191823264e+04" a4="1.42403752531647e+05" a5="-4.96471573073544e+05"/>
|
|
<orbital num="61" C="4.43136257226785e-12" sg="-1.00000000000000e+00" rc="1.08580115569566e-01" a1="-5.39555583867569e+00" a2="-2.99999999886489e+00" a3="-1.10715390203008e+04" a4="1.36335056180887e+05" a5="-4.71349101122594e+05"/>
|
|
<orbital num="62" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.05000000000000e-01" a1="-7.27856352519039e-01" a2="-4.15360254600566e-01" a3="9.69740904382987e-01" a4="-4.39760175106172e+01" a5="2.18401671548764e+02"/>
|
|
<orbital num="63" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.04097153103427e-01" a1="-2.69258043075685e+01" a2="-4.17018469198836e-01" a3="9.98610070067630e-01" a4="-4.68030214650502e+01" a5="2.34549645170355e+02"/>
|
|
<orbital num="64" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.32369236946192e-01" a1="-2.73567620593961e+01" a2="-5.75171992154097e-01" a3="1.09793504830244e+00" a4="-3.14632139765816e+01" a5="1.23426540201176e+02"/>
|
|
<orbital num="65" C="-5.47264790504895e-13" sg="1.00000000000000e+00" rc="9.72474921455383e-02" a1="-2.33296045859564e+01" a2="-2.99509924068365e+00" a3="-3.68689698260439e+03" a4="5.07633275318677e+04" a5="-1.96007517872911e+05"/>
|
|
<orbital num="66" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.02065988643933e-01" a1="-2.54736594875395e+01" a2="3.35433747366362e+00" a3="-6.03338581684642e+00" a4="-4.80764751018512e+01" a5="2.79879023820563e+02"/>
|
|
<orbital num="67" C="-4.21293206146883e-11" sg="1.00000000000000e+00" rc="1.71208928139603e-01" a1="-1.56761222227052e+01" a2="-2.99972838230692e+00" a3="-1.86696086410697e+03" a4="1.46715538477464e+04" a5="-3.22430959802108e+04"/>
|
|
<orbital num="68" C="-2.32556209242780e-14" sg="1.00000000000000e+00" rc="1.27141014532654e-01" a1="-2.49560774406500e+01" a2="-3.03328769300531e+00" a3="-3.62892347261589e+03" a4="4.75738294751845e+04" a5="-1.77046285206520e+05"/>
|
|
<orbital num="69" C="-4.38862217000833e-13" sg="1.00000000000000e+00" rc="1.39057895779281e-01" a1="-2.35334783309691e+01" a2="-2.99106453707129e+00" a3="-1.85010215856365e+03" a4="1.80217294651212e+04" a5="-4.89089191879156e+04"/>
|
|
<orbital num="70" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.39390265757854e-01" a1="-2.85595758678399e+01" a2="-4.56872278198014e-01" a3="1.07169367508517e+00" a4="-2.92381013614005e+01" a5="1.08819584588215e+02"/>
|
|
<orbital num="71" C="1.18207451764552e-11" sg="-1.00000000000000e+00" rc="1.15866126991676e-01" a1="-1.89562031798112e+01" a2="-3.00320251719989e+00" a3="-3.04587512528049e+03" a4="3.49187142647726e+04" a5="-1.13082724476768e+05"/>
|
|
<orbital num="72" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.23537812949520e-02" a1="-3.23739691366411e+01" a2="2.29767695017212e+01" a3="-1.92634265766775e+02" a4="7.82006428216451e+02" a5="-7.58358631998693e+02"/>
|
|
<orbital num="73" C="-8.14269052234888e-13" sg="1.00000000000000e+00" rc="1.17879091602610e-01" a1="-2.43662899794731e+01" a2="-2.96176271433953e+00" a3="-1.94723397769124e+03" a4="2.23964091892521e+04" a5="-7.17144764315239e+04"/>
|
|
<orbital num="74" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.27181663896711e-01" a1="-3.13713922032767e+01" a2="4.17863172403801e+00" a3="-1.06901577887855e+01" a4="1.15046564430554e+02" a5="-4.64649778617614e+02"/>
|
|
<orbital num="75" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.23624017549999e-01" a1="-2.94852916130485e+01" a2="-2.51640726309981e+00" a3="2.40703304620317e+00" a4="-3.63448785922130e+02" a5="1.37112214522713e+03"/>
|
|
<orbital num="76" C="-7.64708935906307e-13" sg="1.00000000000000e+00" rc="1.12899222641566e-01" a1="-2.32911966075494e+01" a2="-2.95966000285449e+00" a3="-4.19711569430684e+03" a4="5.65264781062784e+04" a5="-2.04466736870855e+05"/>
|
|
<orbital num="77" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.29743632232564e-01" a1="-2.93508659057343e+01" a2="-3.91332672564778e+00" a3="-3.30408183984470e+01" a4="1.77282804716012e+02" a5="-2.21212446025914e+03"/>
|
|
<orbital num="78" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.34414030051204e-01" a1="-2.93758850512503e+01" a2="-4.69243768175306e+00" a3="-8.36579674260544e+00" a4="3.19645618351915e+02" a5="-1.20303601869384e+03"/>
|
|
<orbital num="79" C="3.21772821906546e-13" sg="-1.00000000000000e+00" rc="1.13818648985189e-01" a1="-2.60674029619985e+01" a2="-2.68635750899577e+00" a3="-2.07768464610104e+03" a4="2.59410123553168e+04" a5="-8.83322497981344e+04"/>
|
|
<orbital num="80" C="7.03243560580915e-14" sg="-1.00000000000000e+00" rc="1.24544420556389e-01" a1="-5.04869431517473e+00" a2="-2.99999999995018e+00" a3="-1.04615076074299e+04" a4="1.13330561975314e+05" a5="-3.43421871951158e+05"/>
|
|
<orbital num="81" C="1.58828993489289e-13" sg="-1.00000000000000e+00" rc="1.22658446469392e-01" a1="-5.08433753209215e+00" a2="-2.99999999987598e+00" a3="-1.03679516994308e+04" a4="1.13795207338778e+05" a5="-3.49579454122608e+05"/>
|
|
<orbital num="82" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.06209771920571e-01" a1="-2.95500400682919e+01" a2="-4.64002278277339e+00" a3="-4.32012970223758e+00" a4="2.13647522824399e+01" a5="-1.44890716438462e+02"/>
|
|
<orbital num="83" C="1.07441006660106e-13" sg="-1.00000000000000e+00" rc="9.76165436170650e-02" a1="-2.61571660977148e+01" a2="-2.88420533625423e+00" a3="-3.44461963835265e+03" a4="4.94623772727045e+04" a5="-1.95010255760738e+05"/>
|
|
<orbital num="84" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.17457595715216e-02" a1="-2.96917614233609e+01" a2="-4.44473298348106e+00" a3="-5.65674009209639e+00" a4="-4.26550027009401e+01" a5="2.07170155510307e+02"/>
|
|
</center>
|
|
<center num="1">
|
|
<orbital num="0" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.72544046521452e-02" a1="-4.67145857431274e+00" a2="-3.10509668857696e-01" a3="-2.37727845805782e-01" a4="-1.09130783982091e+00" a5="5.49498853463394e+00"/>
|
|
<orbital num="1" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.10396301805337e-01" a1="-9.21276653911775e-01" a2="-1.09659502001586e+00" a3="-1.31728561840922e-01" a4="-3.76008526917377e-01" a5="1.28338974531699e+00"/>
|
|
<orbital num="2" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.07082309619693e-01" a1="-3.12646427146174e-01" a2="-8.84899366476662e-01" a3="-3.78715854334790e-01" a4="-6.48619771829491e-01" a5="2.32872421680502e+00"/>
|
|
<orbital num="3" C="8.57980008581132e-14" sg="-1.00000000000000e+00" rc="1.33364891710203e-01" a1="-1.93446904774443e+01" a2="-9.99994245374288e-01" a3="-3.96977509508962e+03" a4="3.97384963401252e+04" a5="-1.11781716001425e+05"/>
|
|
<orbital num="4" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05359645050116e-01" a1="-3.08749662612064e+01" a2="1.28382397780489e-01" a3="-1.82848066468900e-01" a4="-6.15453595286089e+00" a5="3.05992444123588e+01"/>
|
|
<orbital num="5" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-3.19701464884540e+00" a2="3.61713122592698e-01" a3="-2.14983882665616e-01" a4="-3.79796602654066e+01" a5="1.90454449898637e+02"/>
|
|
<orbital num="6" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.46898625280256e-02" a1="-6.30789165129093e-01" a2="-3.49422582507411e-02" a3="-2.77651911188678e-01" a4="-9.23030351480602e-01" a5="5.52688515917300e+00"/>
|
|
<orbital num="7" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.16770916243024e-02" a1="-1.79660673108165e-01" a2="-2.09046664427640e-01" a3="-9.69975761042358e-01" a4="-1.19783779082757e+01" a5="7.57739035477835e+01"/>
|
|
<orbital num="8" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.09659500123482e-01" a1="-3.20383375370056e+01" a2="-1.60920489416808e-01" a3="-1.35273250730857e-01" a4="3.61868958154693e+00" a5="-1.75416111350105e+01"/>
|
|
<orbital num="9" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.68488852028832e-02" a1="-3.07338196106838e+01" a2="-1.11515279097392e-01" a3="-2.34794130263590e-01" a4="-1.55997799755673e+00" a5="8.17572633106642e+00"/>
|
|
<orbital num="10" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.03032375301986e-02" a1="-4.74720367664399e-01" a2="-1.74560024512085e+00" a3="-6.99205619891038e+00" a4="-2.71950500572599e+01" a5="1.11973477284011e+02"/>
|
|
<orbital num="11" C="2.19969705707753e-14" sg="-1.00000000000000e+00" rc="1.20607563033189e-01" a1="-5.81131191772577e+00" a2="-9.99999999997807e-01" a3="-1.09906765122180e+04" a4="1.21535891014088e+05" a5="-3.77908772631407e+05"/>
|
|
<orbital num="12" C="2.39337387599119e-14" sg="-1.00000000000000e+00" rc="1.18576213714061e-01" a1="-1.80274764912495e+01" a2="-9.99999171631460e-01" a3="-6.20203507899216e+03" a4="7.00169572228208e+04" a5="-2.21794305163488e+05"/>
|
|
<orbital num="13" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.48703681801890e-02" a1="-1.14730921255974e+00" a2="-7.39164754146771e-01" a3="-2.92444355582365e+00" a4="-2.29688924460353e+01" a5="1.32936476111428e+02"/>
|
|
<orbital num="14" C="-3.83629026090216e-14" sg="1.00000000000000e+00" rc="9.72462651940959e-02" a1="-2.54991112638508e+01" a2="-9.98138520002579e-01" a3="-4.10898431662500e+03" a4="5.65164919446760e+04" a5="-2.18167143807400e+05"/>
|
|
<orbital num="15" C="8.20922120176356e-14" sg="-1.00000000000000e+00" rc="1.01517203153081e-01" a1="-2.60150268137191e+01" a2="-9.94365478357035e-01" a3="-3.02242351878246e+03" a4="3.98454749985897e+04" a5="-1.47370698058597e+05"/>
|
|
<orbital num="16" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.15342151470946e-01" a1="-2.41003564128439e+01" a2="-9.44749896489380e-01" a3="-2.34325064484227e-01" a4="-1.03825457410442e+01" a5="4.58341370529612e+01"/>
|
|
<orbital num="17" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="9.34359789024871e-02" a1="-2.73345801135850e+01" a2="-4.15772295524172e-01" a3="-1.41715288940279e+00" a4="-3.88026868185615e+01" a5="2.13773583259978e+02"/>
|
|
<orbital num="18" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.87961730492697e-02" a1="-7.61245079318491e-02" a2="-1.59253048424300e-01" a3="-1.65225168804560e+00" a4="-3.27942799528086e+01" a5="2.15915003566817e+02"/>
|
|
<orbital num="19" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05000000000000e-01" a1="-9.49001162222607e-01" a2="2.06884715750768e-01" a3="-5.36786261831730e-02" a4="-2.32628013682851e+01" a5="1.16438363480532e+02"/>
|
|
<orbital num="20" C="6.11790158090709e-14" sg="-1.00000000000000e+00" rc="1.39702481375410e-01" a1="-6.68736993523352e+00" a2="-9.99999999972604e-01" a3="-7.70562015979524e+03" a4="7.38465377521952e+04" a5="-1.98614855463168e+05"/>
|
|
<orbital num="21" C="1.58829319882030e-13" sg="-1.00000000000000e+00" rc="1.11494053953199e-01" a1="-1.89897533071218e+01" a2="-9.99994908707128e-01" a3="-5.52064954404969e+03" a4="6.59740079901637e+04" a5="-2.21835733041448e+05"/>
|
|
<orbital num="22" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.98188317309243e-02" a1="4.24575095271511e-01" a2="4.44303129820297e-01" a3="1.80337738428129e+00" a4="3.95319005635224e+01" a5="-2.65507227559928e+02"/>
|
|
<orbital num="23" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.00459816813011e-01" a1="-2.92711555809565e+01" a2="1.55429775637707e+00" a3="-6.24170268156521e-01" a4="1.84748090873021e+02" a5="-9.94254972389362e+02"/>
|
|
<orbital num="24" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.12108705932831e-02" a1="-2.87463922338846e+01" a2="-4.24513749120548e-01" a3="-2.79921880693071e+00" a4="-3.91425402908978e+01" a5="2.45462754884925e+02"/>
|
|
<orbital num="25" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="8.04290530620189e-02" a1="6.81670405461307e-01" a2="-6.01751706076486e-01" a3="-4.44423760079303e+00" a4="-5.71146807452994e+01" a5="3.55283273294598e+02"/>
|
|
<orbital num="26" C="1.27517101402790e-10" sg="-1.00000000000000e+00" rc="1.03685968386018e-01" a1="-5.43751210193025e+00" a2="-9.99999994087699e-01" a3="-1.02658675646490e+04" a4="1.32109224779950e+05" a5="-4.77913717984965e+05"/>
|
|
<orbital num="27" C="-4.26139937374334e-12" sg="1.00000000000000e+00" rc="9.77403789604045e-02" a1="-2.48989615638536e+01" a2="-8.02215869924820e-01" a3="-1.59921740597964e+03" a4="2.23632501587826e+04" a5="-8.66320410264603e+04"/>
|
|
<orbital num="28" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="8.20271250017639e-02" a1="-2.58088031843186e-01" a2="-1.47060979393068e+00" a3="-1.53552912489318e+01" a4="-1.14734478648732e+02" a5="5.71527588939760e+02"/>
|
|
<orbital num="29" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.91523484747296e-02" a1="-3.01377724220955e-01" a2="-9.10744934801026e-02" a3="-9.40246807912420e-01" a4="-1.35680461695805e+01" a5="8.91803695424631e+01"/>
|
|
<orbital num="30" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.93060515800574e-02" a1="1.11875138117214e+00" a2="-3.08299883291630e-01" a3="-2.69562334798462e+00" a4="-4.48839736362399e+01" a5="2.90493257807168e+02"/>
|
|
<orbital num="31" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.99719819431096e-02" a1="1.13958598122440e+00" a2="-2.90297355374173e-01" a3="-2.02036988160587e+00" a4="-2.98956655553995e+01" a5="1.92327745759805e+02"/>
|
|
<orbital num="32" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.96416840159770e-02" a1="-2.82066116568652e+01" a2="-2.31412741410056e-01" a3="-1.75513743820759e+00" a4="-2.72769363382182e+01" a5="1.76871610925423e+02"/>
|
|
<orbital num="33" C="6.96211321407507e-13" sg="-1.00000000000000e+00" rc="1.16604345217407e-01" a1="-2.58879720478351e+01" a2="-9.68882464236997e-01" a3="-1.36133209726799e+03" a4="1.55556002857826e+04" a5="-5.00008005531364e+04"/>
|
|
<orbital num="34" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.93268449915394e-02" a1="-2.04085320626527e-01" a2="6.20161658535434e-01" a3="2.69578892972768e+00" a4="6.73834745696520e+01" a5="-4.57998842875444e+02"/>
|
|
<orbital num="35" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.89009411282954e-02" a1="-1.60379684937580e-01" a2="2.99325135071045e-01" a3="1.76623526087322e+00" a4="4.87002925565808e+01" a5="-3.29040863264872e+02"/>
|
|
<orbital num="36" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.45457720537101e-02" a1="-8.62938296620821e-01" a2="-3.38845206366993e+00" a3="-1.28417687777063e+02" a4="1.66863665510291e+03" a5="-1.45402773654325e+04"/>
|
|
<orbital num="37" C="1.69937651949949e-13" sg="-1.00000000000000e+00" rc="8.57231482895576e-02" a1="-1.83692193059432e+01" a2="-9.99903105522235e-01" a3="-1.35998207989058e+04" a4="2.32654153278024e+05" a5="-1.08640753725184e+06"/>
|
|
<orbital num="38" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.95132623855721e-02" a1="-2.80468445522921e+01" a2="-2.57417164154694e+00" a3="-5.21496772452359e+01" a4="1.47030572612659e+02" a5="-2.10076313382759e+03"/>
|
|
<orbital num="39" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.01644994097263e-01" a1="-2.29557791570728e+01" a2="2.14138589626466e-01" a3="1.43631647283829e-02" a4="1.75723741769964e+01" a5="-9.14710052693206e+01"/>
|
|
<orbital num="40" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.00225410374036e-01" a1="-2.65680560000045e+01" a2="-1.09287348557038e+00" a3="-5.76414156743612e+00" a4="-1.67992227551400e+02" a5="8.11449446733368e+02"/>
|
|
<orbital num="41" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.88379872000305e-02" a1="-4.53854840692541e-01" a2="-6.18515563765168e-02" a3="-6.52247008316888e-01" a4="-1.16856864185953e+01" a5="7.73197665305091e+01"/>
|
|
<orbital num="42" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.06855476740892e-02" a1="-2.95002516635335e+01" a2="1.04217182166895e+00" a3="1.69212731478417e+00" a4="1.61733825112909e+02" a5="-9.63855409334879e+02"/>
|
|
<orbital num="43" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.00032366594433e-01" a1="-2.75761192646466e+01" a2="-1.05843136977432e-01" a3="-5.89295896858371e-01" a4="-2.91338109614526e+01" a5="1.51871926564839e+02"/>
|
|
<orbital num="44" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.00447501406581e-02" a1="-2.53060904010725e+01" a2="4.07219535959356e-01" a3="1.62927319140949e+00" a4="3.33798045730632e+01" a5="-2.23324459061130e+02"/>
|
|
<orbital num="45" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.02685765505135e-01" a1="-2.68268937031280e+01" a2="3.99311690118069e-01" a3="1.19721016411883e-01" a4="4.62394103149154e+01" a5="-2.39196539240522e+02"/>
|
|
<orbital num="46" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="8.03085913592882e-02" a1="-1.04050888370043e+00" a2="-4.40863605731221e-01" a3="-3.00156368236463e+00" a4="-4.16513534163543e+01" a5="2.63743435490112e+02"/>
|
|
<orbital num="47" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.43365299363354e-02" a1="-3.35042189990483e+01" a2="-2.87995100606952e-03" a3="-5.75299250832751e-01" a4="-2.26615793294197e+01" a5="1.40559518336525e+02"/>
|
|
<orbital num="48" C="1.19322347335464e-14" sg="-1.00000000000000e+00" rc="1.41649105590368e-01" a1="-2.66297688751774e+01" a2="-9.96950328394944e-01" a3="-2.04725336235784e+03" a4="1.96389986141453e+04" a5="-5.24770951480566e+04"/>
|
|
<orbital num="49" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.93185377451727e-02" a1="-5.78883658041874e-01" a2="-4.60463179039418e-01" a3="-4.54562348532151e+00" a4="-7.04576157039210e+01" a5="4.48864593050764e+02"/>
|
|
<orbital num="50" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.15297016105270e-01" a1="-2.82236448274945e+01" a2="-7.73161223885271e-01" a3="-1.68613631145209e+00" a4="-1.50495639609059e+02" a5="6.54663758967751e+02"/>
|
|
<orbital num="51" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.43547382075132e-02" a1="-3.07294796862912e+01" a2="3.99551387190864e+00" a3="-8.94781026177515e-01" a4="6.78191784687364e+02" a5="-4.47000567095715e+03"/>
|
|
<orbital num="52" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.88765039785667e-02" a1="-5.88658482540259e-01" a2="8.30189792676020e-01" a3="4.07624235693037e+00" a4="1.23699915041747e+02" a5="-8.51564004857071e+02"/>
|
|
<orbital num="53" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.89158287906499e-02" a1="-2.86131718732571e+01" a2="8.53663336424084e-01" a3="4.15857207282908e+00" a4="1.20892827547897e+02" a5="-8.32792330872170e+02"/>
|
|
<orbital num="54" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.84268410734306e-02" a1="-2.81795342053752e+01" a2="-7.38590571814763e-01" a3="-7.73274784069471e+00" a4="-9.91017209560335e+01" a5="6.17029640385009e+02"/>
|
|
<orbital num="55" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.98404253587467e-02" a1="7.82623063670545e-01" a2="-7.69812499669704e-01" a3="-7.50446244929794e+00" a4="-1.01057243060796e+02" a5="6.18249176654439e+02"/>
|
|
<orbital num="56" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.94069540430798e-02" a1="-2.77685375966812e+01" a2="-9.67361515079580e-01" a3="-1.01789758987114e+01" a4="-1.13290734725781e+02" a5="6.71528109637492e+02"/>
|
|
<orbital num="57" C="-1.92579808514262e-12" sg="1.00000000000000e+00" rc="7.87655373855025e-02" a1="-2.47790919409455e+01" a2="-9.22691065390284e-01" a3="-3.30136064327820e+03" a4="5.66684462023046e+04" a5="-2.71048260707532e+05"/>
|
|
<orbital num="58" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.13026599587003e-01" a1="-2.59419953952119e+01" a2="-8.07804431301331e-01" a3="-1.58653687416437e+00" a4="-1.38353934922022e+02" a5="6.15942048913528e+02"/>
|
|
<orbital num="59" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.24858393015658e-02" a1="-2.40741313417149e+01" a2="-1.00291050038856e+00" a3="-5.65354389237489e+00" a4="-5.74295143694707e+01" a5="3.34821392765586e+02"/>
|
|
<orbital num="60" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.94791075017021e-02" a1="-2.54982742860566e+01" a2="-4.83503526883898e-01" a3="-4.28347924340517e+00" a4="-6.82421478638380e+01" a5="4.34237267950687e+02"/>
|
|
<orbital num="61" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.95354789525515e-02" a1="-2.51125301309904e+01" a2="-5.26026279596565e-01" a3="-4.70601409361951e+00" a4="-7.30621882914723e+01" a5="4.62592835087637e+02"/>
|
|
<orbital num="62" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="7.94936015698005e-02" a1="6.08067419713386e-01" a2="-4.88005175441095e-01" a3="-4.31009966612413e+00" a4="-6.81339044641645e+01" a5="4.33329324240149e+02"/>
|
|
<orbital num="63" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="7.92406716014306e-02" a1="-2.56055106378751e+01" a2="-4.64555351031060e-01" a3="-4.09543626945501e+00" a4="-6.43168895127094e+01" a5="4.11234407054817e+02"/>
|
|
<orbital num="64" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.19441674991095e-01" a1="-2.61511457945600e+01" a2="-5.05522120527986e-01" a3="-1.09571420461675e-01" a4="-9.36622263149630e+01" a5="4.03074104817523e+02"/>
|
|
<orbital num="65" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.00897179983951e-01" a1="-2.62193856789775e+01" a2="-7.99742295630339e-01" a3="-3.39883865407630e+00" a4="-1.34643398877023e+02" a5="6.67715526482654e+02"/>
|
|
<orbital num="66" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.15852729588092e-01" a1="-2.32575932092084e+01" a2="3.72265284617212e-02" a3="-2.63606065275518e-01" a4="-3.27067360500947e+01" a5="1.47671915595616e+02"/>
|
|
<orbital num="67" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.07548304891293e-01" a1="-2.37410895263206e+01" a2="2.49712242754293e-01" a3="-1.53860424598256e-01" a4="3.19480286824709e+00" a5="-1.57879110579157e+01"/>
|
|
<orbital num="68" C="1.70439774704396e-12" sg="-1.00000000000000e+00" rc="1.24043593896822e-01" a1="-1.91382390143322e+01" a2="-9.99834218326572e-01" a3="-3.54885936122670e+03" a4="3.83296034971559e+04" a5="-1.16094204133618e+05"/>
|
|
<orbital num="69" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.05585388159443e-01" a1="-2.73766132029415e+01" a2="-5.50656377154054e-01" a3="-1.46214801895324e+00" a4="-1.01671378652176e+02" a5="4.92048168692038e+02"/>
|
|
<orbital num="70" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.07945138534509e-01" a1="-2.73054791141690e+01" a2="-3.93441367472686e-01" a3="-7.09260342291711e-01" a4="-7.21773359647757e+01" a5="3.45136847141873e+02"/>
|
|
<orbital num="71" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="8.58421676799695e-02" a1="-2.30270439165076e+01" a2="-1.32744367505310e-02" a3="-2.43365916999258e-01" a4="-3.32353141281170e-01" a5="1.77907509873246e+00"/>
|
|
<orbital num="72" C="6.42988915484845e-13" sg="-1.00000000000000e+00" rc="1.15932716549392e-01" a1="-9.22621726109516e+00" a2="-9.99999997802710e-01" a3="-8.88088668325076e+03" a4="1.02220172042403e+05" a5="-3.30727823833369e+05"/>
|
|
<orbital num="73" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.02312171814641e-01" a1="-2.69566248503428e+01" a2="-3.68955503059581e-01" a3="-1.06474089681625e+00" a4="-6.83919158836580e+01" a5="3.44982250754917e+02"/>
|
|
<orbital num="74" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.11500677031761e-01" a1="-2.78482741419888e+01" a2="-7.51798765606704e-01" a3="-1.68261099699858e+00" a4="-1.39460326577708e+02" a5="6.30490287169554e+02"/>
|
|
<orbital num="75" C="4.26069254389455e-12" sg="-1.00000000000000e+00" rc="1.32076925321146e-01" a1="-9.18203072917910e+00" a2="-9.99999957479628e-01" a3="-6.25196790598427e+03" a4="6.33080416202969e+04" a5="-1.79971233740287e+05"/>
|
|
<orbital num="76" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="1.04374299905768e-01" a1="-2.39131431025694e+01" a2="-1.08270085641725e+00" a3="-5.16258466639706e-01" a4="1.25233687159829e+00" a5="-7.45498070198535e+00"/>
|
|
<orbital num="77" C="0.00000000000000e+00" sg="1.00000000000000e+00" rc="9.71385610708643e-02" a1="-2.58897772652141e+01" a2="-1.09246811126871e+00" a3="-9.54987830273148e-01" a4="1.17470601569638e+01" a5="-6.47802921477659e+01"/>
|
|
<orbital num="78" C="4.25352469736776e-12" sg="-1.00000000000000e+00" rc="1.32158911698192e-01" a1="-5.11760229759378e+00" a2="-9.99999999320646e-01" a3="-7.64157202405880e+03" a4="7.72898694954290e+04" a5="-2.19535597910286e+05"/>
|
|
<orbital num="79" C="-1.12661602863096e-12" sg="1.00000000000000e+00" rc="1.07584687949357e-01" a1="-2.57889572140702e+01" a2="-7.09321830207242e-01" a3="-1.56628221327627e+03" a4="1.98854838169744e+04" a5="-7.00044377993171e+04"/>
|
|
<orbital num="80" C="0.00000000000000e+00" sg="-1.00000000000000e+00" rc="1.08620453053974e-01" a1="-2.92861043357219e+01" a2="-1.74554936084120e+00" a3="-9.55253999198779e-01" a4="-1.55821761889766e+00" a5="3.91667828430562e+00"/>
|
|
<orbital num="81" C="7.50180827072027e-13" sg="-1.00000000000000e+00" rc="1.07598075030439e-01" a1="-8.90400692953028e+00" a2="-9.99999996981501e-01" a3="-1.04181402454493e+04" a4="1.29255722067782e+05" a5="-4.50665536834173e+05"/>
|
|
<orbital num="82" C="2.20127371494109e-14" sg="-1.00000000000000e+00" rc="6.76659963056118e-02" a1="-9.72262694272312e+00" a2="-9.99999994484605e-01" a3="-3.22198044480182e+04" a4="6.49780059868098e+05" a5="-3.65128243067822e+06"/>
|
|
<orbital num="83" C="-6.56619054069275e-13" sg="1.00000000000000e+00" rc="1.06233168716007e-01" a1="-2.36360742739677e+01" a2="-9.83209788044666e-01" a3="-3.00556813505191e+03" a4="3.81494694816442e+04" a5="-1.35264574969061e+05"/>
|
|
<orbital num="84" C="5.33639613990273e-13" sg="-1.00000000000000e+00" rc="1.19570120889534e-01" a1="-5.34743260689733e+00" a2="-9.99999999833296e-01" a3="-1.01527496208419e+04" a4="1.13594602947276e+05" a5="-3.56773497927909e+05"/>
|
|
</center>
|
|
</sposet>
|
|
</qmcsystem>
|