ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 09:50:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.02 0.38 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 09:50:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.62 0.03 0.69 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 0 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 09:50:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 0 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Mar03-2024 09:50:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 09:50:03 Hydrogen (TZP) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.20 0.02 1.27 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 0 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Mar03-2024 09:50:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 09:50:03 Nodes: 1 Procs: 1 Mar03-2024 09:50:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 09:50:06 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2273.4611999999997 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GRAD(Rho)z -0.2584298E-16 Laplacian 0.5719517E+00 (-1/4)Del**2(Rho)) -0.1429879E+00 Diamond 0.1158818E+01 Metallicity 0.5006935E+01 Ellipticity 0.9545236E-01 Gb(Abramov) 0.2146471E+00 Vb(Abramov) -0.2863064E+00 Hb(Abramov) -0.7165922E-01 Ex_ueg -0.5798374E-01 Ec_ueg -0.8335863E-02 Delta_ex -0.6140755E-01 Delta_ec 0.1482973E-01 Delta_et -0.1977305E+00 Pxc 0.6955937E+01 Qxc -0.4140841E+01 3,-1 51 3 -1 1.003446 -0.140951 -3.475810 Rho 0.8767927E-01 |GRAD(Rho)| 0.2232979E-11 GRAD(Rho)x 0.1417745E-11 GRAD(Rho)y -0.4458444E-12 GRAD(Rho)z 0.1666559E-11 Laplacian 0.3545902E+00 (-1/4)Del**2(Rho)) -0.8864755E-01 Diamond 0.3731693E+00 Metallicity 0.3362905E+01 Ellipticity 0.4470886E-02 Gb(Abramov) 0.1087839E+00 Vb(Abramov) -0.1289203E+00 Hb(Abramov) -0.2013637E-01 Ex_ueg -0.2876830E-01 Ec_ueg -0.4584961E-02 Delta_ex -0.3346009E-01 Delta_ec 0.1006073E-01 Delta_et -0.1215205E+00 Pxc 0.6274493E+01 Qxc -0.3325810E+01 3,-1 52 3 -1 -0.105265 -0.007652 -4.512442 Rho 0.2316857E+00 |GRAD(Rho)| 0.3740347E-15 GRAD(Rho)x -0.6606857E-19 GRAD(Rho)y 0.4571267E-16 GRAD(Rho)z -0.3712308E-15 Laplacian 0.8613886E+00 (-1/4)Del**2(Rho)) -0.2153471E+00 Diamond 0.2912666E+01 Metallicity 0.6991645E+01 Ellipticity 0.1903054E-01 Gb(Abramov) 0.3945032E+00 Vb(Abramov) -0.5736593E+00 Hb(Abramov) -0.1791561E+00 Ex_ueg -0.1050955E+00 Ec_ueg -0.1386626E-01 Delta_ex -0.1030807E+00 Delta_ec 0.1915479E-01 Delta_et -0.2646599E+00 Pxc 0.7579221E+01 Qxc -0.5381458E+01 3,-1 53 3 -1 -1.040419 -0.199787 -3.364202 Rho 0.2302466E+00 |GRAD(Rho)| 0.5286671E-15 GRAD(Rho)x 0.4994919E-15 GRAD(Rho)y 0.4943284E-16 GRAD(Rho)z -0.1659914E-15 Laplacian 0.8934203E+00 (-1/4)Del**2(Rho)) -0.2233551E+00 Diamond 0.2967957E+01 Metallicity 0.6671334E+01 Ellipticity 0.1775282E-01 Gb(Abramov) 0.3972494E+00 Vb(Abramov) -0.5711438E+00 Hb(Abramov) -0.1738944E+00 Ex_ueg -0.1042260E+00 Ec_ueg -0.1376749E-01 Delta_ex -0.1065693E+00 Delta_ec 0.1959733E-01 Delta_et -0.2694167E+00 Pxc 0.7570440E+01 Qxc -0.5437953E+01 3,-1 54 3 +1 -1.397401 -0.088868 -1.624481 Rho 0.6423018E-02 |GRAD(Rho)| 0.1035508E-16 GRAD(Rho)x 0.3229512E-17 GRAD(Rho)y -0.9425736E-18 GRAD(Rho)z -0.9793344E-17 Laplacian 0.2351770E-01 (-1/4)Del**2(Rho)) -0.5879425E-02 Diamond 0.6148798E-03 Metallicity 0.6503046E+00 Ellipticity -0.2363458E+01 Gb(Abramov) 0.4556853E-02 Vb(Abramov) -0.3234281E-02 Hb(Abramov) 0.1322572E-02 Ex_ueg -0.8818009E-03 Ec_ueg -0.2086558E-03 Delta_ex -0.1126348E-02 Delta_ec 0.5585530E-03 Delta_et -0.3340661E-02 Pxc 0.4226102E+01 Qxc -0.2016546E+01 3,+1 55 3 +3 -1.108308 0.698299 -1.729845 Rho 0.4723486E-02 |GRAD(Rho)| 0.9734336E-17 GRAD(Rho)x -0.5038819E-17 GRAD(Rho)y -0.8285264E-17 GRAD(Rho)z 0.8497089E-18 Laplacian 0.1823898E-01 (-1/4)Del**2(Rho)) -0.4559746E-02 Diamond 0.1305298E-03 Metallicity 0.5024008E+00 Ellipticity -0.4423110E+00 Gb(Abramov) 0.3421634E-02 Vb(Abramov) -0.2283522E-02 Hb(Abramov) 0.1138112E-02 Ex_ueg -0.5853316E-03 Ec_ueg -0.1350328E-03 Delta_ex -0.6330154E-03 Delta_ec 0.1030673E-03 Delta_et -0.7419049E-03 Pxc 0.4334737E+01 Qxc -0.6141770E+01 3,+3 56 3 +1 -1.438177 -0.064624 1.640876 Rho 0.6067774E-02 |GRAD(Rho)| 0.7917955E-17 GRAD(Rho)x 0.3757231E-17 GRAD(Rho)y 0.1820826E-18 GRAD(Rho)z 0.6967358E-17 Laplacian 0.2216052E-01 (-1/4)Del**2(Rho)) -0.5540130E-02 Diamond 0.5640111E-03 Metallicity 0.6276954E+00 Ellipticity -0.2715816E+01 Gb(Abramov) 0.4273005E-02 Vb(Abramov) -0.3005881E-02 Hb(Abramov) 0.1267124E-02 Ex_ueg -0.8173805E-03 Ec_ueg -0.1931490E-03 Delta_ex -0.1067974E-02 Delta_ec 0.5614629E-03 Delta_et -0.3285012E-02 Pxc 0.4231866E+01 Qxc -0.1902128E+01 3,+1 57 3 +1 0.063538 0.900423 1.547550 Rho 0.8947798E-02 |GRAD(Rho)| 0.7646054E-15 GRAD(Rho)x -0.2260082E-15 GRAD(Rho)y -0.6910945E-15 GRAD(Rho)z -0.2364956E-15 Laplacian 0.3498627E-01 (-1/4)Del**2(Rho)) -0.8746569E-02 Diamond 0.9508363E-03 Metallicity 0.7595840E+00 Ellipticity -0.1414132E+01 Gb(Abramov) 0.6938338E-02 Vb(Abramov) -0.5130107E-02 Hb(Abramov) 0.1808231E-02 Ex_ueg -0.1371955E-02 Ec_ueg -0.3205683E-03 Delta_ex -0.1598460E-02 Delta_ec 0.4637476E-03 Delta_et -0.3225046E-02 Pxc 0.4279760E+01 Qxc -0.3446832E+01 3,+1 58 3 -1 -1.013128 -0.182069 3.399292 Rho 0.2291226E+00 |GRAD(Rho)| 0.9936053E-14 GRAD(Rho)x 0.6268315E-14 GRAD(Rho)y -0.7640237E-14 GRAD(Rho)z 0.1029640E-14 Laplacian 0.8871631E+00 (-1/4)Del**2(Rho)) -0.2217908E+00 Diamond 0.2930147E+01 Metallicity 0.6663813E+01 Ellipticity 0.1702626E-01 Gb(Abramov) 0.3941892E+00 Vb(Abramov) -0.5665877E+00 Hb(Abramov) -0.1723984E+00 Ex_ueg -0.1035481E+00 Ec_ueg -0.1369043E-01 Delta_ex -0.1056896E+00 Delta_ec 0.1949087E-01 Delta_et -0.2679162E+00 Pxc 0.7563541E+01 Qxc -0.5422520E+01 3,-1 59 3 +1 -1.520988 1.131218 -2.457182 Rho 0.7629897E-02 |GRAD(Rho)| 0.4524672E-17 GRAD(Rho)x 0.2945025E-17 GRAD(Rho)y 0.3096642E-17 GRAD(Rho)z 0.1486705E-17 Laplacian 0.3408767E-01 (-1/4)Del**2(Rho)) -0.8521916E-02 Diamond 0.9976312E-03 Metallicity 0.5977878E+00 Ellipticity -0.1527792E+01 Gb(Abramov) 0.6530327E-02 Vb(Abramov) -0.4538738E-02 Hb(Abramov) 0.1991589E-02 Ex_ueg -0.1109371E-02 Ec_ueg -0.2617863E-03 Delta_ex -0.1628684E-02 Delta_ec 0.6897237E-03 Delta_et -0.4394357E-02 Pxc 0.4237695E+01 Qxc -0.2361358E+01 3,+1 60 3 +1 -1.165176 1.425204 -0.695152 Rho 0.1192307E-01 |GRAD(Rho)| 0.1501043E-16 GRAD(Rho)x -0.1314186E-16 GRAD(Rho)y -0.5789735E-18 GRAD(Rho)z -0.7229747E-17 Laplacian 0.4756593E-01 (-1/4)Del**2(Rho)) -0.1189148E-01 Diamond 0.1902700E-02 Metallicity 0.9014957E+00 Ellipticity -0.1511466E+01 Gb(Abramov) 0.9714342E-02 Vb(Abramov) -0.7537202E-02 Hb(Abramov) 0.2177141E-02 Ex_ueg -0.2011727E-02 Ec_ueg -0.4560186E-03 Delta_ex -0.2338037E-02 Delta_ec 0.6244108E-03 Delta_et -0.4669277E-02 Pxc 0.4411501E+01 Qxc -0.3744388E+01 3,+1 61 3 +1 -1.168638 1.423217 0.695164 Rho 0.1197894E-01 |GRAD(Rho)| 0.6435892E-17 GRAD(Rho)x 0.5519071E-17 GRAD(Rho)y 0.1708657E-17 GRAD(Rho)z -0.2835674E-17 Laplacian 0.4784261E-01 (-1/4)Del**2(Rho)) -0.1196065E-01 Diamond 0.1927670E-02 Metallicity 0.9032940E+00 Ellipticity -0.1513342E+01 Gb(Abramov) 0.9774433E-02 Vb(Abramov) -0.7588213E-02 Hb(Abramov) 0.2186220E-02 Ex_ueg -0.2024307E-02 Ec_ueg -0.4585970E-03 Delta_ex -0.2354995E-02 Delta_ec 0.6288675E-03 Delta_et -0.4707379E-02 Pxc 0.4414130E+01 Qxc -0.3744818E+01 3,+1 62 3 +3 -1.111242 0.693210 1.742433 Rho 0.4574254E-02 |GRAD(Rho)| 0.5624468E-17 GRAD(Rho)x 0.1593832E-18 GRAD(Rho)y 0.3643261E-18 GRAD(Rho)z -0.5610392E-17 Laplacian 0.1769776E-01 (-1/4)Del**2(Rho)) -0.4424439E-02 Diamond 0.1227569E-03 Metallicity 0.4907896E+00 Ellipticity -0.4330389E+00 Gb(Abramov) 0.3311538E-02 Vb(Abramov) -0.2198636E-02 Hb(Abramov) 0.1112902E-02 Ex_ueg -0.5608052E-03 Ec_ueg -0.1286375E-03 Delta_ex -0.6105154E-03 Delta_ec 0.1028629E-03 Delta_et -0.7292329E-03 Pxc 0.4359580E+01 Qxc -0.5935234E+01 3,+3 63 3 +1 -1.515352 1.150343 2.473503 Rho 0.7509765E-02 |GRAD(Rho)| 0.1050273E-16 GRAD(Rho)x 0.7334935E-17 GRAD(Rho)y 0.7516353E-17 GRAD(Rho)z -0.1023086E-18 Laplacian 0.3368282E-01 (-1/4)Del**2(Rho)) -0.8420705E-02 Diamond 0.9698649E-03 Metallicity 0.5891809E+00 Ellipticity -0.1521639E+01 Gb(Abramov) 0.6440690E-02 Vb(Abramov) -0.4460674E-02 Hb(Abramov) 0.1980015E-02 Ex_ueg -0.1086143E-02 Ec_ueg -0.2564673E-03 Delta_ex -0.1606149E-02 Delta_ec 0.6863944E-03 Delta_et -0.4350923E-02 Pxc 0.4235015E+01 Qxc -0.2339979E+01 3,+1 64 3 -1 -1.955315 0.953810 -2.327486 Rho 0.8557473E-02 |GRAD(Rho)| 0.2041063E-14 GRAD(Rho)x 0.3292843E-15 GRAD(Rho)y 0.1963730E-14 GRAD(Rho)z -0.4486370E-15 Laplacian 0.3400857E-01 (-1/4)Del**2(Rho)) -0.8502142E-02 Diamond 0.1981039E-02 Metallicity 0.7254387E+00 Ellipticity 0.2793826E+00 Gb(Abramov) 0.6696058E-02 Vb(Abramov) -0.4889975E-02 Hb(Abramov) 0.1806084E-02 Ex_ueg -0.1292744E-02 Ec_ueg -0.3030777E-03 Delta_ex -0.2040215E-02 Delta_ec 0.1350764E-02 Delta_et -0.8510960E-02 Pxc 0.4265386E+01 Qxc -0.1510416E+01 3,-1 65 3 +1 1.400655 0.650476 0.879371 Rho 0.6571349E-02 |GRAD(Rho)| 0.6383757E-17 GRAD(Rho)x 0.5367032E-17 GRAD(Rho)y -0.2259681E-17 GRAD(Rho)z 0.2615561E-17 Laplacian 0.2558903E-01 (-1/4)Del**2(Rho)) -0.6397258E-02 Diamond 0.4879501E-03 Metallicity 0.6208454E+00 Ellipticity -0.1373979E+01 Gb(Abramov) 0.4926790E-02 Vb(Abramov) -0.3456322E-02 Hb(Abramov) 0.1470468E-02 Ex_ueg -0.9090569E-03 Ec_ueg -0.2151487E-03 Delta_ex -0.1101375E-02 Delta_ec 0.3750907E-03 Delta_et -0.2377908E-02 Pxc 0.4225249E+01 Qxc -0.2936291E+01 3,+1 66 3 +1 -0.318687 2.783025 0.011676 Rho 0.2869076E-01 |GRAD(Rho)| 0.3029908E-12 GRAD(Rho)x 0.3085330E-13 GRAD(Rho)y -0.7229837E-13 GRAD(Rho)z 0.2926165E-12 Laplacian 0.1126661E+00 (-1/4)Del**2(Rho)) -0.2816653E-01 Diamond 0.1810856E-01 Metallicity 0.1644586E+01 Ellipticity -0.5398230E+01 Gb(Abramov) 0.2649807E-01 Vb(Abramov) -0.2482960E-01 Hb(Abramov) 0.1668466E-02 Ex_ueg -0.6486958E-02 Ec_ueg -0.1276275E-02 Delta_ex -0.7297642E-02 Delta_ec 0.1959578E-02 Delta_et -0.1787702E-01 Pxc 0.5082729E+01 Qxc -0.3724089E+01 3,+1 67 3 -1 -1.948702 0.976911 2.351843 Rho 0.8418110E-02 |GRAD(Rho)| 0.3521122E-16 GRAD(Rho)x -0.9863196E-18 GRAD(Rho)y 0.1857032E-16 GRAD(Rho)z -0.2989984E-16 Laplacian 0.3336344E-01 (-1/4)Del**2(Rho)) -0.8340860E-02 Diamond 0.1918969E-02 Metallicity 0.7195042E+00 Ellipticity 0.2470493E+00 Gb(Abramov) 0.6560787E-02 Vb(Abramov) -0.4780715E-02 Hb(Abramov) 0.1780073E-02 Ex_ueg -0.1264750E-02 Ec_ueg -0.2968492E-03 Delta_ex -0.2003557E-02 Delta_ec 0.1340049E-02 Delta_et -0.8397066E-02 Pxc 0.4260579E+01 Qxc -0.1495137E+01 3,-1 68 3 +1 0.061290 0.916747 -1.531713 Rho 0.9077086E-02 |GRAD(Rho)| 0.3011305E-16 GRAD(Rho)x -0.6620820E-18 GRAD(Rho)y -0.2951973E-16 GRAD(Rho)z 0.5911251E-17 Laplacian 0.3545861E-01 (-1/4)Del**2(Rho)) -0.8864651E-02 Diamond 0.9711324E-03 Metallicity 0.7676011E+00 Ellipticity -0.1407685E+01 Gb(Abramov) 0.7043854E-02 Vb(Abramov) -0.5223056E-02 Hb(Abramov) 0.1820798E-02 Ex_ueg -0.1398450E-02 Ec_ueg -0.3263765E-03 Delta_ex -0.1621156E-02 Delta_ec 0.4613270E-03 Delta_et -0.3227196E-02 Pxc 0.4284776E+01 Qxc -0.3514115E+01 3,+1 69 3 -1 -0.043520 0.772481 0.004086 Rho 0.1655081E+00 |GRAD(Rho)| 0.2875472E-12 GRAD(Rho)x -0.2661499E-12 GRAD(Rho)y -0.1088435E-12 GRAD(Rho)z -0.8418017E-15 Laplacian 0.4152239E+00 (-1/4)Del**2(Rho)) -0.1038060E+00 Diamond 0.9665239E+00 Metallicity 0.8279988E+01 Ellipticity 0.6569103E-02 Gb(Abramov) 0.2124560E+00 Vb(Abramov) -0.3211061E+00 Hb(Abramov) -0.1086501E+00 Ex_ueg -0.6711365E-01 Ec_ueg -0.9443540E-02 Delta_ex -0.4586054E-01 Delta_ec 0.1058177E-01 Delta_et -0.1434923E+00 Pxc 0.7106832E+01 Qxc -0.4333920E+01 3,-1 70 3 -1 -0.007442 0.846085 3.226756 Rho 0.1254660E+00 |GRAD(Rho)| 0.3245702E-14 GRAD(Rho)x -0.6206414E-15 GRAD(Rho)y -0.2275076E-14 GRAD(Rho)z 0.2230116E-14 Laplacian 0.5184880E+00 (-1/4)Del**2(Rho)) -0.1296220E+00 Diamond 0.8545178E+00 Metallicity 0.4179115E+01 Ellipticity 0.5954282E-02 Gb(Abramov) 0.1766989E+00 Vb(Abramov) -0.2237758E+00 Hb(Abramov) -0.4707688E-01 Ex_ueg -0.4638950E-01 Ec_ueg -0.6892018E-02 Delta_ex -0.5340186E-01 Delta_ec 0.1388849E-01 Delta_et -0.1801427E+00 Pxc 0.6730901E+01 Qxc -0.3845045E+01 3,-1 71 3 -1 0.181809 -0.416886 -2.421318 Rho 0.5155116E-01 |GRAD(Rho)| 0.6510913E-16 GRAD(Rho)x -0.2109239E-16 GRAD(Rho)y 0.2158727E-16 GRAD(Rho)z -0.5769141E-16 Laplacian 0.2013397E+00 (-1/4)Del**2(Rho)) -0.5033492E-01 Diamond 0.1064072E+00 Metallicity 0.2443888E+01 Ellipticity 0.1254440E-01 Gb(Abramov) 0.5405876E-01 Vb(Abramov) -0.5778260E-01 Hb(Abramov) -0.3723843E-02 Ex_ueg -0.1417000E-01 Ec_ueg -0.2500794E-02 Delta_ex -0.1670148E-01 Delta_ec 0.5998794E-02 Delta_et -0.6376180E-01 Pxc 0.5666198E+01 Qxc -0.2784139E+01 3,-1 72 3 +1 1.466981 -1.520228 1.700318 Rho 0.2334594E-01 |GRAD(Rho)| 0.2634721E-16 GRAD(Rho)x 0.1334184E-16 GRAD(Rho)y -0.1896649E-16 GRAD(Rho)z 0.1250770E-16 Laplacian 0.9050194E-01 (-1/4)Del**2(Rho)) -0.2262548E-01 Diamond 0.1166284E-01 Metallicity 0.1452026E+01 Ellipticity -0.5981034E+01 Gb(Abramov) 0.2055912E-01 Vb(Abramov) -0.1849276E-01 Hb(Abramov) 0.2066364E-02 Ex_ueg -0.4927957E-02 Ec_ueg -0.1005801E-02 Delta_ex -0.5632922E-02 Delta_ec 0.1724896E-02 Delta_et -0.1491916E-01 Pxc 0.4899536E+01 Qxc -0.3265659E+01 3,+1 73 3 -1 -0.198208 2.363377 -2.344723 Rho 0.1402151E+00 |GRAD(Rho)| 0.7050593E-14 GRAD(Rho)x 0.4099301E-15 GRAD(Rho)y 0.5790399E-14 GRAD(Rho)z 0.4001763E-14 Laplacian 0.5837721E+00 (-1/4)Del**2(Rho)) -0.1459430E+00 Diamond 0.1086356E+01 Metallicity 0.4467124E+01 Ellipticity 0.1010103E-01 Gb(Abramov) 0.2059529E+00 Vb(Abramov) -0.2659629E+00 Hb(Abramov) -0.6000992E-01 Ex_ueg -0.5379950E-01 Ec_ueg -0.7820114E-02 Delta_ex -0.6161530E-01 Delta_ec 0.1497036E-01 Delta_et -0.1971617E+00 Pxc 0.6879631E+01 Qxc -0.4115818E+01 3,-1 74 3 -1 -0.687548 3.831787 -2.306662 Rho 0.2410841E+00 |GRAD(Rho)| 0.5343451E-15 GRAD(Rho)x -0.7348180E-16 GRAD(Rho)y 0.2179246E-16 GRAD(Rho)z -0.5288196E-15 Laplacian 0.8953348E+00 (-1/4)Del**2(Rho)) -0.2238337E+00 Diamond 0.3165867E+01 Metallicity 0.7187458E+01 Ellipticity 0.4681552E-02 Gb(Abramov) 0.4173550E+00 Vb(Abramov) -0.6108763E+00 Hb(Abramov) -0.1935213E+00 Ex_ueg -0.1108179E+00 Ec_ueg -0.1451409E-01 Delta_ex -0.1082074E+00 Delta_ec 0.1958315E-01 Delta_et -0.2705506E+00 Pxc 0.7635195E+01 Qxc -0.5525534E+01 3,-1 75 3 -1 -0.123248 2.340485 -0.836102 Rho 0.4935332E-01 |GRAD(Rho)| 0.2668862E-15 GRAD(Rho)x 0.6236428E-16 GRAD(Rho)y -0.1474922E-15 GRAD(Rho)z 0.2135065E-15 Laplacian 0.1928509E+00 (-1/4)Del**2(Rho)) -0.4821272E-01 Diamond 0.9407326E-01 Metallicity 0.2372750E+01 Ellipticity 0.1204136E-01 Gb(Abramov) 0.5120794E-01 Vb(Abramov) -0.5420316E-01 Hb(Abramov) -0.2995219E-02 Ex_ueg -0.1337027E-01 Ec_ueg -0.2379159E-02 Delta_ex -0.1573558E-01 Delta_ec 0.5592250E-02 Delta_et -0.5872660E-01 Pxc 0.5619746E+01 Qxc -0.2813819E+01 3,-1 76 3 -1 -0.123143 2.335892 0.847281 Rho 0.5009035E-01 |GRAD(Rho)| 0.7635801E-16 GRAD(Rho)x 0.2106317E-16 GRAD(Rho)y 0.7116813E-16 GRAD(Rho)z 0.1794397E-16 Laplacian 0.1956035E+00 (-1/4)Del**2(Rho)) -0.4890087E-01 Diamond 0.9750099E-01 Metallicity 0.2397876E+01 Ellipticity 0.1237512E-01 Gb(Abramov) 0.5214361E-01 Vb(Abramov) -0.5538636E-01 Hb(Abramov) -0.3242743E-02 Ex_ueg -0.1363715E-01 Ec_ueg -0.2419869E-02 Delta_ex -0.1602626E-01 Delta_ec 0.5682318E-02 Delta_et -0.5990544E-01 Pxc 0.5635494E+01 Qxc -0.2820373E+01 3,-1 77 3 -1 -0.193224 2.365898 2.351275 Rho 0.1493032E+00 |GRAD(Rho)| 0.3243533E-12 GRAD(Rho)x -0.1707054E-12 GRAD(Rho)y 0.2051767E-12 GRAD(Rho)z -0.1843022E-12 Laplacian 0.6237416E+00 (-1/4)Del**2(Rho)) -0.1559354E+00 Diamond 0.1248410E+01 Metallicity 0.4642197E+01 Ellipticity 0.1359882E-01 Gb(Abramov) 0.2246041E+00 Vb(Abramov) -0.2932727E+00 Hb(Abramov) -0.6866867E-01 Ex_ueg -0.5849837E-01 Ec_ueg -0.8398922E-02 Delta_ex -0.6682163E-01 Delta_ec 0.1569100E-01 Delta_et -0.2083918E+00 Pxc 0.6964986E+01 Qxc -0.4258596E+01 3,-1 78 3 +1 1.421129 -1.460066 -2.836288 Rho 0.1212468E-01 |GRAD(Rho)| 0.1213604E-16 GRAD(Rho)x -0.1469973E-17 GRAD(Rho)y -0.1164448E-16 GRAD(Rho)z 0.3086853E-17 Laplacian 0.5663828E-01 (-1/4)Del**2(Rho)) -0.1415957E-01 Diamond 0.1901266E-02 Metallicity 0.7785505E+00 Ellipticity -0.1157773E+01 Gb(Abramov) 0.1127704E-01 Vb(Abramov) -0.8394504E-02 Hb(Abramov) 0.2882533E-02 Ex_ueg -0.2057210E-02 Ec_ueg -0.4653276E-03 Delta_ex -0.2677434E-02 Delta_ec 0.5312854E-03 Delta_et -0.4149642E-02 Pxc 0.4420993E+01 Qxc -0.5039539E+01 3,+1 79 3 +1 0.539228 -1.754094 -0.004729 Rho 0.7985420E-02 |GRAD(Rho)| 0.6081677E-16 GRAD(Rho)x 0.9409160E-17 GRAD(Rho)y -0.3546222E-16 GRAD(Rho)z 0.4850338E-16 Laplacian 0.3184191E-01 (-1/4)Del**2(Rho)) -0.7960478E-02 Diamond 0.7521925E-03 Metallicity 0.6904152E+00 Ellipticity -0.1368354E+01 Gb(Abramov) 0.6222991E-02 Vb(Abramov) -0.4485504E-02 Hb(Abramov) 0.1737487E-02 Ex_ueg -0.1178823E-02 Ec_ueg -0.2775666E-03 Delta_ex -0.1418712E-02 Delta_ec 0.4320122E-03 Delta_et -0.2910217E-02 Pxc 0.4246994E+01 Qxc -0.3283964E+01 3,+1 80 3 +1 1.307130 -0.436577 -2.315777 Rho 0.2487390E-01 |GRAD(Rho)| 0.6169192E-16 GRAD(Rho)x 0.1224566E-16 GRAD(Rho)y -0.1055308E-16 GRAD(Rho)z 0.5953629E-16 Laplacian 0.9918072E-01 (-1/4)Del**2(Rho)) -0.2479518E-01 Diamond 0.1455788E-01 Metallicity 0.1472626E+01 Ellipticity -0.1260652E+02 Gb(Abramov) 0.2261579E-01 Vb(Abramov) -0.2043640E-01 Hb(Abramov) 0.2179388E-02 Ex_ueg -0.5362620E-02 Ec_ueg -0.1082368E-02 Delta_ex -0.6343447E-02 Delta_ec 0.2010230E-02 Delta_et -0.1764568E-01 Pxc 0.4954528E+01 Qxc -0.3155582E+01 3,+1 81 3 +3 1.315084 -1.367651 2.654900 Rho 0.1179832E-01 |GRAD(Rho)| 0.5265108E-12 GRAD(Rho)x -0.4546093E-12 GRAD(Rho)y -0.1870714E-12 GRAD(Rho)z 0.1885428E-12 Laplacian 0.5367082E-01 (-1/4)Del**2(Rho)) -0.1341770E-01 Diamond 0.1228703E-02 Metallicity 0.7850699E+00 Ellipticity -0.7244394E+00 Gb(Abramov) 0.1070078E-01 Vb(Abramov) -0.7983846E-02 Hb(Abramov) 0.2716929E-02 Ex_ueg -0.1983711E-02 Ec_ueg -0.4502666E-03 Delta_ex -0.2368504E-02 Delta_ec 0.2362037E-03 Delta_et -0.2120802E-02 Pxc 0.4405637E+01 Qxc -0.1002738E+02 3,+3 82 3 +1 1.422865 -1.456446 2.838966 Rho 0.1194569E-01 |GRAD(Rho)| 0.1224751E-16 GRAD(Rho)x -0.4430319E-17 GRAD(Rho)y -0.5047918E-17 GRAD(Rho)z 0.1024169E-16 Laplacian 0.5514063E-01 (-1/4)Del**2(Rho)) -0.1378516E-01 Diamond 0.1816953E-02 Metallicity 0.7801183E+00 Ellipticity -0.1161976E+01 Gb(Abramov) 0.1098245E-01 Vb(Abramov) -0.8179737E-02 Hb(Abramov) 0.2802710E-02 Ex_ueg -0.2016819E-02 Ec_ueg -0.4570627E-03 Delta_ex -0.2597025E-02 Delta_ec 0.5190792E-03 Delta_et -0.4039393E-02 Pxc 0.4412566E+01 Qxc -0.5003138E+01 3,+1 83 3 +1 -0.434280 -3.157422 0.021867 Rho 0.1501755E-01 |GRAD(Rho)| 0.7693450E-15 GRAD(Rho)x -0.5940818E-15 GRAD(Rho)y 0.6255719E-16 GRAD(Rho)z 0.4848146E-15 Laplacian 0.7070488E-01 (-1/4)Del**2(Rho)) -0.1767622E-01 Diamond 0.3900171E-02 Metallicity 0.8909004E+00 Ellipticity -0.1422028E+01 Gb(Abramov) 0.1440877E-01 Vb(Abramov) -0.1114132E-01 Hb(Abramov) 0.3267448E-02 Ex_ueg -0.2736428E-02 Ec_ueg -0.6006022E-03 Delta_ex -0.3698713E-02 Delta_ec 0.9347842E-03 Delta_et -0.7388610E-02 Pxc 0.4556140E+01 Qxc -0.3956756E+01 3,+1 84 3 -1 0.549701 -1.866144 -1.595901 Rho 0.4477354E-01 |GRAD(Rho)| 0.1591438E-15 GRAD(Rho)x -0.1579759E-16 GRAD(Rho)y 0.1520128E-15 GRAD(Rho)z 0.4437669E-16 Laplacian 0.1762379E+00 (-1/4)Del**2(Rho)) -0.4405948E-01 Diamond 0.7582375E-01 Metallicity 0.2207410E+01 Ellipticity 0.2874924E-01 Gb(Abramov) 0.4558254E-01 Vb(Abramov) -0.4710560E-01 Hb(Abramov) -0.1523060E-02 Ex_ueg -0.1174213E-01 Ec_ueg -0.2128079E-02 Delta_ex -0.1405729E-01 Delta_ec 0.5160528E-02 Delta_et -0.5283890E-01 Pxc 0.5517715E+01 Qxc -0.2724002E+01 3,-1 85 3 +1 1.262538 -0.426889 2.342789 Rho 0.2435463E-01 |GRAD(Rho)| 0.1218384E-13 GRAD(Rho)x 0.2245689E-14 GRAD(Rho)y 0.1787495E-14 GRAD(Rho)z 0.1184093E-13 Laplacian 0.9674117E-01 (-1/4)Del**2(Rho)) -0.2418529E-01 Diamond 0.1371627E-01 Metallicity 0.1457598E+01 Ellipticity -0.9736471E+01 Gb(Abramov) 0.2199894E-01 Vb(Abramov) -0.1981258E-01 Hb(Abramov) 0.2186357E-02 Ex_ueg -0.5213874E-02 Ec_ueg -0.1056276E-02 Delta_ex -0.6144854E-02 Delta_ec 0.1945010E-02 Delta_et -0.1698338E-01 Pxc 0.4936090E+01 Qxc -0.3159291E+01 3,+1 86 3 +1 0.305234 -1.386584 -2.406442 Rho 0.2916429E-01 |GRAD(Rho)| 0.5821186E-16 GRAD(Rho)x -0.7106731E-17 GRAD(Rho)y 0.2669231E-16 GRAD(Rho)z -0.5124096E-16 Laplacian 0.1205898E+00 (-1/4)Del**2(Rho)) -0.3014744E-01 Diamond 0.2151085E-01 Metallicity 0.1579023E+01 Ellipticity -0.1036502E+02 Gb(Abramov) 0.2803221E-01 Vb(Abramov) -0.2591698E-01 Hb(Abramov) 0.2115229E-02 Ex_ueg -0.6630104E-02 Ec_ueg -0.1300581E-02 Delta_ex -0.7994461E-02 Delta_ec 0.2363725E-02 Delta_et -0.2161966E-01 Pxc 0.5097800E+01 Qxc -0.3382145E+01 3,+1 87 3 +1 0.295935 -1.396299 2.415802 Rho 0.2933467E-01 |GRAD(Rho)| 0.1018173E-15 GRAD(Rho)x -0.1986050E-17 GRAD(Rho)y -0.9577745E-16 GRAD(Rho)z 0.3448920E-16 Laplacian 0.1203947E+00 (-1/4)Del**2(Rho)) -0.3009868E-01 Diamond 0.2141035E-01 Metallicity 0.1597010E+01 Ellipticity -0.1009386E+02 Gb(Abramov) 0.2807711E-01 Vb(Abramov) -0.2605553E-01 Hb(Abramov) 0.2021578E-02 Ex_ueg -0.6681798E-02 Ec_ueg -0.1309340E-02 Delta_ex -0.7972893E-02 Delta_ec 0.2322567E-02 Delta_et -0.2127774E-01 Pxc 0.5103180E+01 Qxc -0.3432793E+01 3,+1 88 3 +3 1.152977 1.045468 1.639221 Rho 0.4160718E-02 |GRAD(Rho)| 0.4665918E-12 GRAD(Rho)x 0.3680256E-12 GRAD(Rho)y 0.2864033E-12 GRAD(Rho)z 0.1543458E-13 Laplacian 0.1702070E-01 (-1/4)Del**2(Rho)) -0.4255174E-02 Diamond 0.1271228E-03 Metallicity 0.4357622E+00 Ellipticity -0.2876999E+00 Gb(Abramov) 0.3145823E-02 Vb(Abramov) -0.2036473E-02 Hb(Abramov) 0.1109351E-02 Ex_ueg -0.4942455E-03 Ec_ueg -0.1109758E-03 Delta_ex -0.6001154E-03 Delta_ec 0.1484124E-03 Delta_et -0.9218715E-03 Pxc 0.4453633E+01 Qxc -0.4043565E+01 3,+3 89 3 +1 1.488945 1.295274 -2.198353 Rho 0.5216670E-02 |GRAD(Rho)| 0.2845565E-17 GRAD(Rho)x 0.2292990E-17 GRAD(Rho)y 0.1390039E-17 GRAD(Rho)z 0.9524868E-18 Laplacian 0.2132275E-01 (-1/4)Del**2(Rho)) -0.5330688E-02 Diamond 0.5190463E-03 Metallicity 0.5070984E+00 Ellipticity -0.2849018E+01 Gb(Abramov) 0.4004323E-02 Vb(Abramov) -0.2677957E-02 Hb(Abramov) 0.1326365E-02 Ex_ueg -0.6682048E-03 Ec_ueg -0.1562489E-03 Delta_ex -0.1062405E-02 Delta_ec 0.6598653E-03 Delta_et -0.3634204E-02 Pxc 0.4276541E+01 Qxc -0.1610032E+01 3,+1 90 3 +3 1.146099 1.076818 -1.619221 Rho 0.4229859E-02 |GRAD(Rho)| 0.4506715E-17 GRAD(Rho)x 0.4158653E-17 GRAD(Rho)y 0.4183632E-18 GRAD(Rho)z -0.1685545E-17 Laplacian 0.1725619E-01 (-1/4)Del**2(Rho)) -0.4314049E-02 Diamond 0.1286221E-03 Metallicity 0.4417853E+00 Ellipticity -0.2493757E+00 Gb(Abramov) 0.3193680E-02 Vb(Abramov) -0.2073311E-02 Hb(Abramov) 0.1120369E-02 Ex_ueg -0.5052266E-03 Ec_ueg -0.1139225E-03 Delta_ex -0.6073035E-03 Delta_ec 0.1438906E-03 Delta_et -0.9070396E-03 Pxc 0.4434826E+01 Qxc -0.4220592E+01 3,+3 91 3 +1 1.408125 0.689287 -0.886038 Rho 0.6509215E-02 |GRAD(Rho)| 0.1190972E-14 GRAD(Rho)x -0.1113428E-14 GRAD(Rho)y -0.5018353E-16 GRAD(Rho)z 0.4197318E-15 Laplacian 0.2525142E-01 (-1/4)Del**2(Rho)) -0.6312856E-02 Diamond 0.4666804E-03 Metallicity 0.6192627E+00 Ellipticity -0.1356548E+01 Gb(Abramov) 0.4860124E-02 Vb(Abramov) -0.3407391E-02 Hb(Abramov) 0.1452733E-02 Ex_ueg -0.8976145E-03 Ec_ueg -0.2124276E-03 Delta_ex -0.1078661E-02 Delta_ec 0.3600376E-03 Delta_et -0.2285198E-02 Pxc 0.4225507E+01 Qxc -0.2995967E+01 3,+1 92 3 +1 1.488307 1.325411 2.154915 Rho 0.5042127E-02 |GRAD(Rho)| 0.1171873E-15 GRAD(Rho)x 0.3695912E-16 GRAD(Rho)y -0.9311881E-16 GRAD(Rho)z 0.6079280E-16 Laplacian 0.2048706E-01 (-1/4)Del**2(Rho)) -0.5121765E-02 Diamond 0.4827965E-03 Metallicity 0.4986814E+00 Ellipticity -0.2969303E+01 Gb(Abramov) 0.3840198E-02 Vb(Abramov) -0.2558631E-02 Hb(Abramov) 0.1281567E-02 Ex_ueg -0.6385625E-03 Ec_ueg -0.1487261E-03 Delta_ex -0.1019896E-02 Delta_ec 0.6444951E-03 Delta_et -0.3509232E-02 Pxc 0.4293546E+01 Qxc -0.1582473E+01 3,+1 93 3 -1 2.938369 0.363852 1.570494 Rho 0.1116563E+00 |GRAD(Rho)| 0.6840213E-15 GRAD(Rho)x -0.1090936E-16 GRAD(Rho)y -0.6660932E-15 GRAD(Rho)z 0.1551968E-15 Laplacian 0.4678492E+00 (-1/4)Del**2(Rho)) -0.1169623E+00 Diamond 0.6705366E+00 Metallicity 0.3813404E+01 Ellipticity 0.1795533E-01 Gb(Abramov) 0.1523123E+00 Vb(Abramov) -0.1876623E+00 Hb(Abramov) -0.3534999E-01 Ex_ueg -0.3970966E-01 Ec_ueg -0.6036406E-02 Delta_ex -0.4687592E-01 Delta_ec 0.1288474E-01 Delta_et -0.1637012E+00 Pxc 0.6578362E+01 Qxc -0.3638096E+01 3,-1 94 3 +1 2.074915 -2.079708 0.152485 Rho 0.5398660E-02 |GRAD(Rho)| 0.1688885E-16 GRAD(Rho)x -0.1208318E-16 GRAD(Rho)y -0.1174355E-16 GRAD(Rho)z -0.1148544E-17 Laplacian 0.2214855E-01 (-1/4)Del**2(Rho)) -0.5537139E-02 Diamond 0.5880760E-03 Metallicity 0.5169054E+00 Ellipticity -0.3914398E+01 Gb(Abramov) 0.4168455E-02 Vb(Abramov) -0.2799772E-02 Hb(Abramov) 0.1368683E-02 Ex_ueg -0.6994656E-03 Ec_ueg -0.1641089E-03 Delta_ex -0.1130669E-02 Delta_ec 0.7205621E-03 Delta_et -0.3995121E-02 Pxc 0.4262204E+01 Qxc -0.1569149E+01 3,+1 95 3 -1 2.951181 0.426989 -1.600252 Rho 0.1331899E+00 |GRAD(Rho)| 0.5854570E-15 GRAD(Rho)x -0.1358133E-16 GRAD(Rho)y 0.5590689E-15 GRAD(Rho)z 0.1732555E-15 Laplacian 0.5561087E+00 (-1/4)Del**2(Rho)) -0.1390272E+00 Diamond 0.9836832E+00 Metallicity 0.4304331E+01 Ellipticity 0.1348473E-01 Gb(Abramov) 0.1924213E+00 Vb(Abramov) -0.2458154E+00 Hb(Abramov) -0.5339412E-01 Ex_ueg -0.5023583E-01 Ec_ueg -0.7376275E-02 Delta_ex -0.5809259E-01 Delta_ec 0.1466460E-01 Delta_et -0.1920568E+00 Pxc 0.6810460E+01 Qxc -0.3961416E+01 3,-1 96 3 +1 2.977576 0.561505 -0.033057 Rho 0.1279688E-01 |GRAD(Rho)| 0.2373167E-16 GRAD(Rho)x 0.2132710E-17 GRAD(Rho)y -0.2361882E-16 GRAD(Rho)z -0.8916913E-18 Laplacian 0.6405433E-01 (-1/4)Del**2(Rho)) -0.1601358E-01 Diamond 0.2761059E-02 Metallicity 0.7531907E+00 Ellipticity -0.1267852E+01 Gb(Abramov) 0.1268594E-01 Vb(Abramov) -0.9358288E-02 Hb(Abramov) 0.3327647E-02 Ex_ueg -0.2210670E-02 Ec_ueg -0.4964797E-03 Delta_ex -0.3191317E-02 Delta_ec 0.8113827E-03 Delta_et -0.6194997E-02 Pxc 0.4452690E+01 Qxc -0.3933183E+01 3,+1 97 3 -1 3.897589 -0.609724 -2.233813 Rho 0.2394763E+00 |GRAD(Rho)| 0.1879308E-13 GRAD(Rho)x -0.6395817E-14 GRAD(Rho)y -0.1758043E-13 GRAD(Rho)z -0.1789313E-14 Laplacian 0.8598194E+00 (-1/4)Del**2(Rho)) -0.2149549E+00 Diamond 0.3043147E+01 Metallicity 0.7401339E+01 Ellipticity 0.8347584E-02 Gb(Abramov) 0.4084622E+00 Vb(Abramov) -0.6019695E+00 Hb(Abramov) -0.1935073E+00 Ex_ueg -0.1098336E+00 Ec_ueg -0.1440292E-01 Delta_ex -0.1038788E+00 Delta_ec 0.1910361E-01 Delta_et -0.2650264E+00 Pxc 0.7625786E+01 Qxc -0.5437655E+01 3,-1 98 3 -1 3.883833 -0.687861 2.219862 Rho 0.2376425E+00 |GRAD(Rho)| 0.4871323E-14 GRAD(Rho)x 0.2556332E-14 GRAD(Rho)y -0.3803683E-14 GRAD(Rho)z 0.1651348E-14 Laplacian 0.8547555E+00 (-1/4)Del**2(Rho)) -0.2136889E+00 Diamond 0.2997193E+01 Metallicity 0.7350408E+01 Ellipticity 0.4263998E-02 Gb(Abramov) 0.4042426E+00 Vb(Abramov) -0.5947964E+00 Hb(Abramov) -0.1905538E+00 Ex_ueg -0.1087136E+00 Ec_ueg -0.1427630E-01 Delta_ex -0.1030593E+00 Delta_ec 0.1903254E-01 Delta_et -0.2639565E+00 Pxc 0.7614971E+01 Qxc -0.5414899E+01 3,-1 99 3 +3 -1.547522 2.046184 -0.001301 Rho 0.6437332E-02 |GRAD(Rho)| 0.4157755E-17 GRAD(Rho)x 0.3062135E-17 GRAD(Rho)y 0.2783661E-17 GRAD(Rho)z 0.4018478E-18 Laplacian 0.2749439E-01 (-1/4)Del**2(Rho)) -0.6873597E-02 Diamond 0.3725216E-03 Metallicity 0.5583145E+00 Ellipticity -0.6425512E+00 Gb(Abramov) 0.5222003E-02 Vb(Abramov) -0.3570409E-02 Hb(Abramov) 0.1651594E-02 Ex_ueg -0.8844221E-03 Ec_ueg -0.2092819E-03 Delta_ex -0.1086404E-02 Delta_ec 0.2404946E-03 Delta_et -0.1652371E-02 Pxc 0.4225984E+01 Qxc -0.4517373E+01 3,+3 100 3 +3 1.538680 -1.581595 0.010991 Rho 0.4211205E-02 |GRAD(Rho)| 0.3316819E-17 GRAD(Rho)x -0.1658906E-17 GRAD(Rho)y -0.2563820E-17 GRAD(Rho)z 0.1294660E-17 Laplacian 0.1714668E-01 (-1/4)Del**2(Rho)) -0.4286670E-02 Diamond 0.1215855E-03 Metallicity 0.4413439E+00 Ellipticity -0.2481825E+00 Gb(Abramov) 0.3173096E-02 Vb(Abramov) -0.2059522E-02 Hb(Abramov) 0.1113574E-02 Ex_ueg -0.5022581E-03 Ec_ueg -0.1131273E-03 Delta_ex -0.5963942E-03 Delta_ec 0.1316053E-03 Delta_et -0.8463671E-03 Pxc 0.4439761E+01 Qxc -0.4531687E+01 3,+3 101 3 -1 0.756221 -3.948236 -2.234102 Rho 0.2389275E+00 |GRAD(Rho)| 0.1534515E-14 GRAD(Rho)x -0.1299823E-15 GRAD(Rho)y -0.1412715E-14 GRAD(Rho)z -0.5848729E-15 Laplacian 0.8756037E+00 (-1/4)Del**2(Rho)) -0.2189009E+00 Diamond 0.3074676E+01 Metallicity 0.7240176E+01 Ellipticity 0.2518587E-02 Gb(Abramov) 0.4100808E+00 Vb(Abramov) -0.6012607E+00 Hb(Abramov) -0.1911799E+00 Ex_ueg -0.1094981E+00 Ec_ueg -0.1436501E-01 Delta_ex -0.1056380E+00 Delta_ec 0.1931653E-01 Delta_et -0.2672980E+00 Pxc 0.7622558E+01 Qxc -0.5468785E+01 3,-1 102 3 -1 0.594425 -3.949178 2.220459 Rho 0.2337042E+00 |GRAD(Rho)| 0.2923619E-14 GRAD(Rho)x -0.1536328E-14 GRAD(Rho)y -0.2445310E-14 GRAD(Rho)z 0.4557444E-15 Laplacian 0.8641289E+00 (-1/4)Del**2(Rho)) -0.2160322E+00 Diamond 0.2953349E+01 Metallicity 0.7070968E+01 Ellipticity 0.1266919E-01 Gb(Abramov) 0.3986143E+00 Vb(Abramov) -0.5811964E+00 Hb(Abramov) -0.1825821E+00 Ex_ueg -0.1063181E+00 Ec_ueg -0.1400499E-01 Delta_ex -0.1036467E+00 Delta_ec 0.1917442E-01 Delta_et -0.2650565E+00 Pxc 0.7591443E+01 Qxc -0.5405464E+01 3,-1 103 3 +1 1.584669 -1.384005 -1.707663 Rho 0.2278409E-01 |GRAD(Rho)| 0.1031262E-12 GRAD(Rho)x 0.9257287E-13 GRAD(Rho)y -0.4268824E-13 GRAD(Rho)z 0.1558829E-13 Laplacian 0.8520668E-01 (-1/4)Del**2(Rho)) -0.2130167E-01 Diamond 0.9499566E-02 Metallicity 0.1480899E+01 Ellipticity -0.3272893E+01 Gb(Abramov) 0.1945872E-01 Vb(Abramov) -0.1761577E-01 Hb(Abramov) 0.1842952E-02 Ex_ueg -0.4770463E-02 Ec_ueg -0.9778067E-03 Delta_ex -0.5132130E-02 Delta_ec 0.1378224E-02 Delta_et -0.1191075E-01 Pxc 0.4878738E+01 Qxc -0.3723726E+01 3,+1 104 3 -1 1.600996 -2.708964 -1.984099 Rho 0.1372521E+00 |GRAD(Rho)| 0.3003955E-09 GRAD(Rho)x -0.2788041E-09 GRAD(Rho)y -0.1079322E-09 GRAD(Rho)z 0.2926417E-10 Laplacian 0.5548001E+00 (-1/4)Del**2(Rho)) -0.1387000E+00 Diamond 0.1009776E+01 Metallicity 0.4536022E+01 Ellipticity 0.3476001E-01 Gb(Abramov) 0.1973244E+00 Vb(Abramov) -0.2559488E+00 Hb(Abramov) -0.5862440E-01 Ex_ueg -0.5228903E-01 Ec_ueg -0.7632531E-02 Delta_ex -0.5829270E-01 Delta_ec 0.1437147E-01 Delta_et -0.1888078E+00 Pxc 0.6850811E+01 Qxc -0.4056139E+01 3,-1 105 3 -1 1.492176 -2.717675 1.965276 Rho 0.9594163E-01 |GRAD(Rho)| 0.6016117E-13 GRAD(Rho)x -0.2148488E-13 GRAD(Rho)y -0.5406306E-13 GRAD(Rho)z 0.1532813E-13 Laplacian 0.3853398E+00 (-1/4)Del**2(Rho)) -0.9633496E-01 Diamond 0.4529098E+00 Metallicity 0.3595680E+01 Ellipticity 0.2940916E-03 Gb(Abramov) 0.1219549E+00 Vb(Abramov) -0.1475749E+00 Hb(Abramov) -0.2561997E-01 Ex_ueg -0.3243853E-01 Ec_ueg -0.5079873E-02 Delta_ex -0.3713913E-01 Delta_ec 0.1074724E-01 Delta_et -0.1322858E+00 Pxc 0.6385697E+01 Qxc -0.3455690E+01 3,-1 106 3 +3 1.733650 0.311319 -0.011047 Rho 0.4000933E-02 |GRAD(Rho)| 0.1017139E-15 GRAD(Rho)x -0.2736299E-16 GRAD(Rho)y -0.9788782E-16 GRAD(Rho)z -0.3868624E-17 Laplacian 0.1564157E-01 (-1/4)Del**2(Rho)) -0.3910392E-02 Diamond 0.9532760E-04 Metallicity 0.4442237E+00 Ellipticity -0.3809261E+00 Gb(Abramov) 0.2896443E-02 Vb(Abramov) -0.1882493E-02 Hb(Abramov) 0.1013949E-02 Ex_ueg -0.4691014E-03 Ec_ueg -0.1041755E-03 Delta_ex -0.5266967E-03 Delta_ec 0.1019002E-03 Delta_et -0.6783608E-03 Pxc 0.4502991E+01 Qxc -0.5168751E+01 3,+3 107 3 -1 1.329750 2.070892 0.008593 Rho 0.4248950E-01 |GRAD(Rho)| 0.7554111E-17 GRAD(Rho)x 0.4855193E-17 GRAD(Rho)y 0.5709214E-17 GRAD(Rho)z -0.9468770E-18 Laplacian 0.1653356E+00 (-1/4)Del**2(Rho)) -0.4133391E-01 Diamond 0.6602683E-01 Metallicity 0.2156334E+01 Ellipticity 0.1684949E-01 Gb(Abramov) 0.4241089E-01 Vb(Abramov) -0.4348787E-01 Hb(Abramov) -0.1076982E-02 Ex_ueg -0.1095033E-01 Ec_ueg -0.2004133E-02 Delta_ex -0.1300439E-01 Delta_ec 0.4822311E-02 Delta_et -0.4869159E-01 Pxc 0.5463874E+01 Qxc -0.2696714E+01 3,-1 108 3 -1 3.249098 3.129080 0.012855 Rho 0.2406823E+00 |GRAD(Rho)| 0.8770527E-12 GRAD(Rho)x -0.7106621E-12 GRAD(Rho)y -0.5139542E-12 GRAD(Rho)z -0.5643048E-14 Laplacian 0.8789646E+00 (-1/4)Del**2(Rho)) -0.2197412E+00 Diamond 0.3117821E+01 Metallicity 0.7300994E+01 Ellipticity 0.2489710E-02 Gb(Abramov) 0.4138822E+00 Vb(Abramov) -0.6080233E+00 Hb(Abramov) -0.1941411E+00 Ex_ueg -0.1105717E+00 Ec_ueg -0.1448629E-01 Delta_ex -0.1062678E+00 Delta_ec 0.1938684E-01 Delta_et -0.2685057E+00 Pxc 0.7632849E+01 Qxc -0.5481439E+01 3,-1 109 3 +1 0.947071 2.511500 -0.580595 Rho 0.2758079E-01 |GRAD(Rho)| 0.2747032E-14 GRAD(Rho)x 0.2370927E-14 GRAD(Rho)y 0.7489603E-15 GRAD(Rho)z -0.1167882E-14 Laplacian 0.1081205E+00 (-1/4)Del**2(Rho)) -0.2703012E-01 Diamond 0.1613674E-01 Metallicity 0.1604660E+01 Ellipticity -0.4173529E+01 Gb(Abramov) 0.2524911E-01 Vb(Abramov) -0.2346809E-01 Hb(Abramov) 0.1781013E-02 Ex_ueg -0.6154518E-02 Ec_ueg -0.1219511E-02 Delta_ex -0.6898825E-02 Delta_ec 0.1825718E-02 Delta_et -0.1650610E-01 Pxc 0.5046711E+01 Qxc -0.3778693E+01 3,+1 110 3 -1 -1.721511 -0.026663 -1.627018 Rho 0.6569858E-02 |GRAD(Rho)| 0.3243350E-15 GRAD(Rho)x 0.2764489E-15 GRAD(Rho)y 0.1500387E-16 GRAD(Rho)z 0.1689500E-15 Laplacian 0.2409014E-01 (-1/4)Del**2(Rho)) -0.6022536E-02 Diamond 0.8718204E-03 Metallicity 0.6592252E+00 Ellipticity 0.6521655E+00 Gb(Abramov) 0.4676725E-02 Vb(Abramov) -0.3330914E-02 Hb(Abramov) 0.1345811E-02 Ex_ueg -0.9087820E-03 Ec_ueg -0.2150834E-03 Delta_ex -0.1303011E-02 Delta_ec 0.8284084E-03 Delta_et -0.4855194E-02 Pxc 0.4225254E+01 Qxc -0.1572909E+01 3,-1 111 3 +1 -1.845620 0.360465 1.715583 Rho 0.5864844E-02 |GRAD(Rho)| 0.4532004E-16 GRAD(Rho)x -0.8537088E-17 GRAD(Rho)y 0.3653837E-16 GRAD(Rho)z -0.2541597E-16 Laplacian 0.2159530E-01 (-1/4)Del**2(Rho)) -0.5398824E-02 Diamond 0.4778843E-03 Metallicity 0.6086226E+00 Ellipticity -0.1939717E+01 Gb(Abramov) 0.4146857E-02 Vb(Abramov) -0.2894890E-02 Hb(Abramov) 0.1251967E-02 Ex_ueg -0.7811366E-03 Ec_ueg -0.1843183E-03 Delta_ex -0.9978884E-03 Delta_ec 0.4840146E-03 Delta_et -0.2834980E-02 Pxc 0.4237976E+01 Qxc -0.2061691E+01 3,+1 112 3 +1 -1.866495 0.375741 -1.709281 Rho 0.6184191E-02 |GRAD(Rho)| 0.7746520E-17 GRAD(Rho)x -0.2269233E-17 GRAD(Rho)y 0.4505566E-17 GRAD(Rho)z 0.5878693E-17 Laplacian 0.2297883E-01 (-1/4)Del**2(Rho)) -0.5744708E-02 Diamond 0.5333096E-03 Metallicity 0.6248226E+00 Ellipticity -0.1881550E+01 Gb(Abramov) 0.4428043E-02 Vb(Abramov) -0.3111377E-02 Hb(Abramov) 0.1316665E-02 Ex_ueg -0.8383569E-03 Ec_ueg -0.1982240E-03 Delta_ex -0.1065246E-02 Delta_ec 0.4988926E-03 Delta_et -0.2975762E-02 Pxc 0.4229341E+01 Qxc -0.2135221E+01 3,+1 113 3 -1 -1.692761 -0.006076 1.645318 Rho 0.6135188E-02 |GRAD(Rho)| 0.4389569E-16 GRAD(Rho)x 0.2451869E-16 GRAD(Rho)y 0.1446388E-16 GRAD(Rho)z -0.3341350E-16 Laplacian 0.2232251E-01 (-1/4)Del**2(Rho)) -0.5580627E-02 Diamond 0.7221308E-03 Metallicity 0.6347217E+00 Ellipticity 0.9947831E+00 Gb(Abramov) 0.4310776E-02 Vb(Abramov) -0.3040924E-02 Hb(Abramov) 0.1269851E-02 Ex_ueg -0.8295112E-03 Ec_ueg -0.1960870E-03 Delta_ex -0.1181141E-02 Delta_ec 0.7491540E-03 Delta_et -0.4307636E-02 Pxc 0.4230322E+01 Qxc -0.1576633E+01 3,-1 114 3 -1 -1.114411 -0.000130 -0.000250 Rho 0.1947271E+00 |GRAD(Rho)| 0.6972245E-16 GRAD(Rho)x -0.6938894E-16 GRAD(Rho)y -0.6505213E-17 GRAD(Rho)z 0.2019327E-17 Laplacian 0.5144739E+00 (-1/4)Del**2(Rho)) -0.1286185E+00 Diamond 0.1392693E+01 Metallicity 0.8762483E+01 Ellipticity 0.8077338E-02 Gb(Abramov) 0.2735819E+00 Vb(Abramov) -0.4185452E+00 Hb(Abramov) -0.1449634E+00 Ex_ueg -0.8335922E-01 Ec_ueg -0.1136593E-01 Delta_ex -0.5873780E-01 Delta_ec 0.1177748E-01 Delta_et -0.1601487E+00 Pxc 0.7334130E+01 Qxc -0.4987296E+01 3,-1 115 3 -1 -0.657376 3.575718 -0.796834 Rho 0.1401318E+00 |GRAD(Rho)| 0.6487481E-16 GRAD(Rho)x -0.3547374E-17 GRAD(Rho)y -0.4811825E-16 GRAD(Rho)z -0.4336809E-16 Laplacian 0.5430842E+00 (-1/4)Del**2(Rho)) -0.1357711E+00 Diamond 0.1016845E+01 Metallicity 0.4797045E+01 Ellipticity 0.4055190E-01 Gb(Abramov) 0.1990640E+00 Vb(Abramov) -0.2623570E+00 Hb(Abramov) -0.6329296E-01 Ex_ueg -0.5375687E-01 Ec_ueg -0.7814831E-02 Delta_ex -0.5738807E-01 Delta_ec 0.1406389E-01 Delta_et -0.1854900E+00 Pxc 0.6878827E+01 Qxc -0.4080528E+01 3,-1 116 3 +1 0.933589 2.518720 0.594885 Rho 0.2765855E-01 |GRAD(Rho)| 0.5497397E-16 GRAD(Rho)x 0.4788801E-16 GRAD(Rho)y 0.2699594E-16 GRAD(Rho)z -0.3086922E-18 Laplacian 0.1086961E+00 (-1/4)Del**2(Rho)) -0.2717403E-01 Diamond 0.1645206E-01 Metallicity 0.1603669E+01 Ellipticity -0.4457296E+01 Gb(Abramov) 0.2537904E-01 Vb(Abramov) -0.2358406E-01 Hb(Abramov) 0.1794985E-02 Ex_ueg -0.6177662E-02 Ec_ueg -0.1223477E-02 Delta_ex -0.6956599E-02 Delta_ec 0.1863630E-02 Delta_et -0.1685582E-01 Pxc 0.5049266E+01 Qxc -0.3732822E+01 3,+1 117 3 -1 0.744422 -3.195627 0.868766 Rho 0.1296916E+00 |GRAD(Rho)| 0.2423962E-09 GRAD(Rho)x -0.6770826E-10 GRAD(Rho)y 0.2596709E-10 GRAD(Rho)z 0.2312947E-09 Laplacian 0.5325048E+00 (-1/4)Del**2(Rho)) -0.1331262E+00 Diamond 0.9131889E+00 Metallicity 0.4300073E+01 Ellipticity 0.1543510E-01 Gb(Abramov) 0.1841595E+00 Vb(Abramov) -0.2351929E+00 Hb(Abramov) -0.5103333E-01 Ex_ueg -0.4848425E-01 Ec_ueg -0.7156452E-02 Delta_ex -0.5528220E-01 Delta_ec 0.1415115E-01 Delta_et -0.1845677E+00 Pxc 0.6774900E+01 Qxc -0.3906552E+01 3,-1 118 3 -1 0.822572 -3.195733 -0.880925 Rho 0.1459101E+00 |GRAD(Rho)| 0.1196329E-15 GRAD(Rho)x -0.4616668E-16 GRAD(Rho)y 0.5130987E-16 GRAD(Rho)z 0.9771372E-16 Laplacian 0.6082979E+00 (-1/4)Del**2(Rho)) -0.1520745E+00 Diamond 0.1188409E+01 Metallicity 0.4581128E+01 Ellipticity 0.1452424E-01 Gb(Abramov) 0.2174951E+00 Vb(Abramov) -0.2829157E+00 Hb(Abramov) -0.6542061E-01 Ex_ueg -0.5673253E-01 Ec_ueg -0.8182217E-02 Delta_ex -0.6484203E-01 Delta_ec 0.1546517E-01 Delta_et -0.2049029E+00 Pxc 0.6933638E+01 Qxc -0.4192779E+01 3,-1 119 3 +3 1.317416 -1.363077 -2.648776 Rho 0.1196566E-01 |GRAD(Rho)| 0.1011798E-15 GRAD(Rho)x -0.6613596E-16 GRAD(Rho)y 0.4185248E-16 GRAD(Rho)z 0.6412294E-16 Laplacian 0.5480763E-01 (-1/4)Del**2(Rho)) -0.1370191E-01 Diamond 0.1268095E-02 Metallicity 0.7870456E+00 Ellipticity -0.7253806E+00 Gb(Abramov) 0.1093194E-01 Vb(Abramov) -0.8161977E-02 Hb(Abramov) 0.2769965E-02 Ex_ueg -0.2021315E-02 Ec_ueg -0.4579840E-03 Delta_ex -0.2425286E-02 Delta_ec 0.2352072E-03 Delta_et -0.2128927E-02 Pxc 0.4413505E+01 Qxc -0.1031128E+02 3,+3 120 3 +1 1.566769 -0.678782 0.011985 Rho 0.6809035E-02 |GRAD(Rho)| 0.1707476E-16 GRAD(Rho)x 0.1156409E-16 GRAD(Rho)y -0.1139980E-16 GRAD(Rho)z -0.5278623E-17 Laplacian 0.2649323E-01 (-1/4)Del**2(Rho)) -0.6623306E-02 Diamond 0.5341486E-03 Metallicity 0.6362400E+00 Ellipticity -0.1394602E+01 Gb(Abramov) 0.5117873E-02 Vb(Abramov) -0.3612440E-02 Hb(Abramov) 0.1505433E-02 Ex_ueg -0.9531601E-03 Ec_ueg -0.2255748E-03 Delta_ex -0.1152732E-02 Delta_ec 0.3927294E-03 Delta_et -0.2509540E-02 Pxc 0.4225472E+01 Qxc -0.2935181E+01 3,+1 121 3 -1 -1.304110 -3.094455 0.205009 Rho 0.4742712E-01 |GRAD(Rho)| 0.3059481E-16 GRAD(Rho)x -0.5516856E-17 GRAD(Rho)y -0.2451929E-16 GRAD(Rho)z 0.1744739E-16 Laplacian 0.1260977E+00 (-1/4)Del**2(Rho)) -0.3152444E-01 Diamond 0.9282190E-01 Metallicity 0.3395865E+01 Ellipticity 0.7160949E-02 Gb(Abramov) 0.3885841E-01 Vb(Abramov) -0.4619238E-01 Hb(Abramov) -0.7333974E-02 Ex_ueg -0.1267907E-01 Ec_ueg -0.2273156E-02 Delta_ex -0.1178386E-01 Delta_ec 0.6510597E-02 Delta_et -0.6837060E-01 Pxc 0.5577739E+01 Qxc -0.1809951E+01 3,-1 122 3 -1 -0.344931 -3.095356 -1.576287 Rho 0.1467705E+00 |GRAD(Rho)| 0.1075336E-13 GRAD(Rho)x 0.9930885E-14 GRAD(Rho)y -0.3807549E-15 GRAD(Rho)z -0.4106978E-14 Laplacian 0.5513007E+00 (-1/4)Del**2(Rho)) -0.1378252E+00 Diamond 0.1107921E+01 Metallicity 0.5104533E+01 Ellipticity 0.1093914E+00 Gb(Abramov) 0.2091390E+00 Vb(Abramov) -0.2804528E+00 Hb(Abramov) -0.7131380E-01 Ex_ueg -0.5717904E-01 Ec_ueg -0.8237102E-02 Delta_ex -0.5908939E-01 Delta_ec 0.1442107E-01 Delta_et -0.1921841E+00 Pxc 0.6941645E+01 Qxc -0.4097435E+01 3,-1 123 3 -1 -0.656442 3.570212 0.801027 Rho 0.1336103E+00 |GRAD(Rho)| 0.6186138E-15 GRAD(Rho)x 0.1293690E-15 GRAD(Rho)y -0.1769079E-15 GRAD(Rho)z 0.5784896E-15 Laplacian 0.5190984E+00 (-1/4)Del**2(Rho)) -0.1297746E+00 Diamond 0.9166944E+00 Metallicity 0.4635502E+01 Ellipticity 0.3746748E-01 Gb(Abramov) 0.1867781E+00 Vb(Abramov) -0.2437817E+00 Hb(Abramov) -0.5700354E-01 Ex_ueg -0.5044735E-01 Ec_ueg -0.7402745E-02 Delta_ex -0.5420949E-01 Delta_ec 0.1357444E-01 Delta_et -0.1776694E+00 Pxc 0.6814682E+01 Qxc -0.3993498E+01 3,-1 124 3 -1 -0.688817 3.827064 2.311910 Rho 0.2410963E+00 |GRAD(Rho)| 0.1345576E-14 GRAD(Rho)x -0.3290825E-15 GRAD(Rho)y 0.9550737E-15 GRAD(Rho)z 0.8888832E-15 Laplacian 0.8964980E+00 (-1/4)Del**2(Rho)) -0.2241245E+00 Diamond 0.3169457E+01 Metallicity 0.7178737E+01 Ellipticity 0.6012071E-02 Gb(Abramov) 0.4175715E+00 Vb(Abramov) -0.6110185E+00 Hb(Abramov) -0.1934470E+00 Ex_ueg -0.1108253E+00 Ec_ueg -0.1451493E-01 Delta_ex -0.1083456E+00 Delta_ec 0.1960154E-01 Delta_et -0.2707747E+00 Pxc 0.7635266E+01 Qxc -0.5527402E+01 3,-1 125 3 -1 0.452321 -1.874635 1.588190 Rho 0.4736025E-01 |GRAD(Rho)| 0.1386950E-12 GRAD(Rho)x -0.1117783E-12 GRAD(Rho)y -0.8120583E-13 GRAD(Rho)z -0.1214545E-13 Laplacian 0.1869769E+00 (-1/4)Del**2(Rho)) -0.4674423E-01 Diamond 0.8767387E-01 Metallicity 0.2284801E+01 Ellipticity 0.1332733E-01 Gb(Abramov) 0.4896304E-01 Vb(Abramov) -0.5118184E-01 Hb(Abramov) -0.2218801E-02 Ex_ueg -0.1265524E-01 Ec_ueg -0.2269486E-02 Delta_ex -0.1516494E-01 Delta_ec 0.5542619E-02 Delta_et -0.5761308E-01 Pxc 0.5576258E+01 Qxc -0.2736060E+01 3,-1 126 3 -1 0.038352 -1.174612 -3.500864 Rho 0.1214860E+00 |GRAD(Rho)| 0.2318460E-15 GRAD(Rho)x 0.1013729E-16 GRAD(Rho)y -0.2218955E-15 GRAD(Rho)z 0.6642432E-16 Laplacian 0.4644079E+00 (-1/4)Del**2(Rho)) -0.1161020E+00 Diamond 0.7399654E+00 Metallicity 0.4421715E+01 Ellipticity 0.2447251E-01 Gb(Abramov) 0.1629629E+00 Vb(Abramov) -0.2098239E+00 Hb(Abramov) -0.4686097E-01 Ex_ueg -0.4443789E-01 Ec_ueg -0.6644062E-02 Delta_ex -0.4751346E-01 Delta_ec 0.1262060E-01 Delta_et -0.1629344E+00 Pxc 0.6688362E+01 Qxc -0.3764756E+01 3,-1 127 3 -1 0.064779 -1.163326 3.535611 Rho 0.1325026E+00 |GRAD(Rho)| 0.8657967E-13 GRAD(Rho)x 0.3873949E-13 GRAD(Rho)y 0.7426338E-13 GRAD(Rho)z 0.2191444E-13 Laplacian 0.5079556E+00 (-1/4)Del**2(Rho)) -0.1269889E+00 Diamond 0.8971368E+00 Metallicity 0.4671914E+01 Ellipticity 0.3430200E-01 Gb(Abramov) 0.1835395E+00 Vb(Abramov) -0.2400900E+00 Hb(Abramov) -0.5655057E-01 Ex_ueg -0.4989048E-01 Ec_ueg -0.7333024E-02 Delta_ex -0.5304552E-01 Delta_ec 0.1349948E-01 Delta_et -0.1768178E+00 Pxc 0.6803534E+01 Qxc -0.3929449E+01 3,-1 128 3 -1 1.029804 -0.118596 3.476965 Rho 0.8872387E-01 |GRAD(Rho)| 0.1849866E-15 GRAD(Rho)x -0.1717308E-15 GRAD(Rho)y -0.1380081E-17 GRAD(Rho)z 0.6875070E-16 Laplacian 0.3587046E+00 (-1/4)Del**2(Rho)) -0.8967615E-01 Diamond 0.3825038E+00 Metallicity 0.3390603E+01 Ellipticity 0.5078343E-02 Gb(Abramov) 0.1104601E+00 Vb(Abramov) -0.1312441E+00 Hb(Abramov) -0.2078399E-01 Ex_ueg -0.2922620E-01 Ec_ueg -0.4647207E-02 Delta_ex -0.3393165E-01 Delta_ec 0.1013599E-01 Delta_et -0.1227211E+00 Pxc 0.6288982E+01 Qxc -0.3347639E+01 3,-1 129 3 -1 1.891694 3.066111 0.713137 Rho 0.1360318E+00 |GRAD(Rho)| 0.5364533E-13 GRAD(Rho)x -0.2414941E-13 GRAD(Rho)y 0.4510434E-13 GRAD(Rho)z -0.1613152E-13 Laplacian 0.5392913E+00 (-1/4)Del**2(Rho)) -0.1348228E+00 Diamond 0.9743314E+00 Metallicity 0.4597521E+01 Ellipticity 0.3927878E-01 Gb(Abramov) 0.1931903E+00 Vb(Abramov) -0.2515579E+00 Hb(Abramov) -0.5836753E-01 Ex_ueg -0.5167006E-01 Ec_ueg -0.7555435E-02 Delta_ex -0.5657742E-01 Delta_ec 0.1406597E-01 Delta_et -0.1846716E+00 Pxc 0.6838793E+01 Qxc -0.4022289E+01 3,-1 130 3 -1 1.696232 -0.688096 1.621589 Rho 0.3130463E-01 |GRAD(Rho)| 0.1208196E-15 GRAD(Rho)x 0.1183939E-15 GRAD(Rho)y 0.6160577E-17 GRAD(Rho)z 0.2328713E-16 Laplacian 0.1182482E+00 (-1/4)Del**2(Rho)) -0.2956206E-01 Diamond 0.2977592E-01 Metallicity 0.1812033E+01 Ellipticity 0.6799381E-01 Gb(Abramov) 0.2863594E-01 Vb(Abramov) -0.2770983E-01 Hb(Abramov) 0.9261162E-03 Ex_ueg -0.7286682E-02 Ec_ueg -0.1411096E-02 Delta_ex -0.8512534E-02 Delta_ec 0.3255494E-02 Delta_et -0.3026424E-01 Pxc 0.5163846E+01 Qxc -0.2614821E+01 3,-1 131 3 -1 -2.211702 1.579246 -1.211451 Rho 0.3099654E+00 |GRAD(Rho)| 0.4308966E-15 GRAD(Rho)x 0.2994584E-15 GRAD(Rho)y 0.1171476E-15 GRAD(Rho)z 0.2868327E-15 Laplacian -0.1563420E+01 (-1/4)Del**2(Rho)) 0.3908550E+00 Diamond 0.5350671E+01 Metallicity -0.6257385E+01 Ellipticity 0.8189221E-03 Gb(Abramov) 0.1470517E+00 Vb(Abramov) -0.6849584E+00 Hb(Abramov) -0.5379067E+00 Ex_ueg -0.1549302E+00 Ec_ueg -0.1940989E-01 Delta_ex 0.1534043E+00 Delta_ec 0.5517056E-01 Delta_et -0.1290363E+01 Pxc 0.7982023E+01 Qxc 0.2780546E+01 3,-1 132 3 -1 -2.212828 1.583500 1.206134 Rho 0.3096051E+00 |GRAD(Rho)| 0.7741200E-15 GRAD(Rho)x 0.7462479E-17 GRAD(Rho)y 0.7740623E-15 GRAD(Rho)z -0.5802811E-17 Laplacian -0.1560496E+01 (-1/4)Del**2(Rho)) 0.3901240E+00 Diamond 0.5334546E+01 Metallicity -0.6256968E+01 Ellipticity 0.9114885E-03 Gb(Abramov) 0.1467496E+00 Vb(Abramov) -0.6836231E+00 Hb(Abramov) -0.5368735E+00 Ex_ueg -0.1546901E+00 Ec_ueg -0.1938360E-01 Delta_ex 0.1530420E+00 Delta_ec 0.5507676E-01 Delta_et -0.1287520E+01 Pxc 0.7980463E+01 Qxc 0.2778704E+01 3,-1 133 3 -1 -2.100773 0.946233 -0.733757 Rho 0.4140595E-01 |GRAD(Rho)| 0.1312689E-14 GRAD(Rho)x 0.1000953E-14 GRAD(Rho)y -0.8352515E-15 GRAD(Rho)z 0.1536205E-15 Laplacian 0.1135108E+00 (-1/4)Del**2(Rho)) -0.2837769E-01 Diamond 0.6629499E-01 Metallicity 0.3008482E+01 Ellipticity 0.4446628E-02 Gb(Abramov) 0.3314742E-01 Vb(Abramov) -0.3791715E-01 Hb(Abramov) -0.4769731E-02 Ex_ueg -0.1057959E-01 Ec_ueg -0.1945646E-02 Delta_ex -0.1011936E-01 Delta_ec 0.5540673E-02 Delta_et -0.5587702E-01 Pxc 0.5437571E+01 Qxc -0.1826377E+01 3,-1 134 3 -1 -0.464985 -3.090516 1.571070 Rho 0.2127218E+00 |GRAD(Rho)| 0.7179266E-14 GRAD(Rho)x 0.6715548E-14 GRAD(Rho)y -0.9949418E-16 GRAD(Rho)z 0.2536410E-14 Laplacian 0.8157923E+00 (-1/4)Del**2(Rho)) -0.2039481E+00 Diamond 0.2483721E+01 Metallicity 0.6403050E+01 Ellipticity 0.1928572E-01 Gb(Abramov) 0.3536137E+00 Vb(Abramov) -0.5032793E+00 Hb(Abramov) -0.1496656E+00 Ex_ueg -0.9378522E-01 Ec_ueg -0.1257387E-01 Delta_ex -0.9545459E-01 Delta_ec 0.1852947E-01 Delta_et -0.2546392E+00 Pxc 0.7458740E+01 Qxc -0.5151503E+01 3,-1 135 3 -1 -0.027971 0.841072 -3.212723 Rho 0.1343764E+00 |GRAD(Rho)| 0.1395635E-13 GRAD(Rho)x -0.1297723E-13 GRAD(Rho)y 0.4997413E-14 GRAD(Rho)z 0.1182011E-14 Laplacian 0.5541908E+00 (-1/4)Del**2(Rho)) -0.1385477E+00 Diamond 0.9892639E+00 Metallicity 0.4383548E+01 Ellipticity 0.2700506E-02 Gb(Abramov) 0.1935869E+00 Vb(Abramov) -0.2486261E+00 Hb(Abramov) -0.5503918E-01 Ex_ueg -0.5083341E-01 Ec_ueg -0.7451013E-02 Delta_ex -0.5799877E-01 Delta_ec 0.1455153E-01 Delta_et -0.1907854E+00 Pxc 0.6822349E+01 Qxc -0.3985751E+01 3,-1 136 3 -1 0.187056 -0.426622 2.437856 Rho 0.4963230E-01 |GRAD(Rho)| 0.2970154E-15 GRAD(Rho)x 0.7253228E-16 GRAD(Rho)y -0.9361302E-16 GRAD(Rho)z -0.2723855E-15 Laplacian 0.1945569E+00 (-1/4)Del**2(Rho)) -0.4863923E-01 Diamond 0.9754793E-01 Metallicity 0.2374145E+01 Ellipticity 0.1112855E-01 Gb(Abramov) 0.5167225E-01 Vb(Abramov) -0.5470527E-01 Hb(Abramov) -0.3033019E-02 Ex_ueg -0.1347114E-01 Ec_ueg -0.2394559E-02 Delta_ex -0.1598066E-01 Delta_ec 0.5790070E-02 Delta_et -0.6093549E-01 Pxc 0.5625728E+01 Qxc -0.2760011E+01 3,-1 137 3 -1 0.079341 -0.364465 -0.659165 Rho 0.1727027E+00 |GRAD(Rho)| 0.3669627E-15 GRAD(Rho)x -0.2046974E-15 GRAD(Rho)y 0.8847090E-16 GRAD(Rho)z 0.2914335E-15 Laplacian 0.4342521E+00 (-1/4)Del**2(Rho)) -0.1085630E+00 Diamond 0.1064328E+01 Metallicity 0.8499042E+01 Ellipticity 0.1165390E-01 Gb(Abramov) 0.2261556E+00 Vb(Abramov) -0.3437483E+00 Hb(Abramov) -0.1175926E+00 Ex_ueg -0.7103146E-01 Ec_ueg -0.9912326E-02 Delta_ex -0.4847578E-01 Delta_ec 0.1095523E-01 Delta_et -0.1493731E+00 Pxc 0.7165972E+01 Qxc -0.4424899E+01 3,-1 138 3 -1 1.714848 -0.634558 -1.623854 Rho 0.3105167E-01 |GRAD(Rho)| 0.6258126E-16 GRAD(Rho)x 0.6207915E-16 GRAD(Rho)y -0.6396555E-18 GRAD(Rho)z -0.7885718E-17 Laplacian 0.1162843E+00 (-1/4)Del**2(Rho)) -0.2907108E-01 Diamond 0.2885976E-01 Metallicity 0.1817887E+01 Ellipticity 0.1073335E+00 Gb(Abramov) 0.2818871E-01 Vb(Abramov) -0.2730634E-01 Hb(Abramov) 0.8823705E-03 Ex_ueg -0.7208280E-02 Ec_ueg -0.1397980E-02 Delta_ex -0.8346241E-02 Delta_ec 0.3187046E-02 Delta_et -0.2956303E-01 Pxc 0.5156211E+01 Qxc -0.2618802E+01 3,-1 139 3 -1 2.702457 1.871699 0.687211 Rho 0.1674983E+00 |GRAD(Rho)| 0.4317604E-15 GRAD(Rho)x 0.6846737E-16 GRAD(Rho)y -0.1349290E-15 GRAD(Rho)z 0.4043803E-15 Laplacian 0.7033036E+00 (-1/4)Del**2(Rho)) -0.1758259E+00 Diamond 0.1614056E+01 Metallicity 0.4986788E+01 Ellipticity 0.2665095E-01 Gb(Abramov) 0.2633517E+00 Vb(Abramov) -0.3508774E+00 Hb(Abramov) -0.8752577E-01 Ex_ueg -0.6819180E-01 Ec_ueg -0.9572909E-02 Delta_ex -0.7750708E-01 Delta_ec 0.1715222E-01 Delta_et -0.2310664E+00 Pxc 0.7123414E+01 Qxc -0.4518777E+01 3,-1 140 3 -1 2.705437 1.891775 -0.705990 Rho 0.1511831E+00 |GRAD(Rho)| 0.4237545E-15 GRAD(Rho)x -0.7537238E-16 GRAD(Rho)y 0.1437110E-15 GRAD(Rho)z 0.3914512E-15 Laplacian 0.6332028E+00 (-1/4)Del**2(Rho)) -0.1583007E+00 Diamond 0.1295525E+01 Metallicity 0.4669197E+01 Ellipticity 0.1441131E-01 Gb(Abramov) 0.2287233E+00 Vb(Abramov) -0.2991460E+00 Hb(Abramov) -0.7042263E-01 Ex_ueg -0.5948250E-01 Ec_ueg -0.8519290E-02 Delta_ex -0.6813324E-01 Delta_ec 0.1603752E-01 Delta_et -0.2137306E+00 Pxc 0.6982096E+01 Qxc -0.4248364E+01 3,-1 141 3 -1 -2.101071 0.948628 0.728872 Rho 0.4116409E-01 |GRAD(Rho)| 0.5204656E-16 GRAD(Rho)x 0.1745591E-16 GRAD(Rho)y 0.4390424E-16 GRAD(Rho)z 0.2183010E-16 Laplacian 0.1127280E+00 (-1/4)Del**2(Rho)) -0.2818199E-01 Diamond 0.6528720E-01 Metallicity 0.2999938E+01 Ellipticity 0.4576845E-02 Gb(Abramov) 0.3287870E-01 Vb(Abramov) -0.3757541E-01 Hb(Abramov) -0.4696709E-02 Ex_ueg -0.1049727E-01 Ec_ueg -0.1932619E-02 Delta_ex -0.1003495E-01 Delta_ec 0.5499446E-02 Delta_et -0.5536557E-01 Pxc 0.5431629E+01 Qxc -0.1824719E+01 3,-1 142 3 -1 1.891295 3.056193 -0.705798 Rho 0.1302155E+00 |GRAD(Rho)| 0.1616728E-12 GRAD(Rho)x -0.9127399E-13 GRAD(Rho)y 0.7408679E-13 GRAD(Rho)z -0.1109879E-12 Laplacian 0.5164175E+00 (-1/4)Del**2(Rho)) -0.1291044E+00 Diamond 0.8845489E+00 Metallicity 0.4463925E+01 Ellipticity 0.3134508E-01 Gb(Abramov) 0.1821216E+00 Vb(Abramov) -0.2351389E+00 Hb(Abramov) -0.5301726E-01 Ex_ueg -0.4874561E-01 Ec_ueg -0.7189326E-02 Delta_ex -0.5359972E-01 Delta_ec 0.1359553E-01 Delta_et -0.1772262E+00 Pxc 0.6780275E+01 Qxc -0.3942453E+01 3,-1 143 3 -1 3.099452 -0.777594 0.879837 Rho 0.1340738E+00 |GRAD(Rho)| 0.1209603E-13 GRAD(Rho)x 0.7204510E-14 GRAD(Rho)y 0.5794251E-14 GRAD(Rho)z -0.7799723E-14 Laplacian 0.5656925E+00 (-1/4)Del**2(Rho)) -0.1414231E+00 Diamond 0.1004651E+01 Metallicity 0.4278312E+01 Ellipticity 0.1464337E-01 Gb(Abramov) 0.1951241E+00 Vb(Abramov) -0.2488251E+00 Hb(Abramov) -0.5370100E-01 Ex_ueg -0.5068080E-01 Ec_ueg -0.7431939E-02 Delta_ex -0.5914230E-01 Delta_ec 0.1481176E-01 Delta_et -0.1940310E+00 Pxc 0.6819324E+01 Qxc -0.3992929E+01 3,-1 144 3 -1 2.681322 -1.594317 1.985616 Rho 0.1754157E+00 |GRAD(Rho)| 0.1227988E-15 GRAD(Rho)x -0.3946496E-16 GRAD(Rho)y 0.7947202E-16 GRAD(Rho)z 0.8488964E-16 Laplacian 0.6842235E+00 (-1/4)Del**2(Rho)) -0.1710559E+00 Diamond 0.1672880E+01 Metallicity 0.5535999E+01 Ellipticity 0.4607842E-01 Gb(Abramov) 0.2718648E+00 Vb(Abramov) -0.3726737E+00 Hb(Abramov) -0.1008089E+00 Ex_ueg -0.7252311E-01 Ec_ueg -0.1008988E-01 Delta_ex -0.7638799E-01 Delta_ec 0.1667580E-01 Delta_et -0.2263555E+00 Pxc 0.7187707E+01 Qxc -0.4580769E+01 3,-1 145 3 -1 2.464907 -0.341172 -2.709790 Rho 0.1776356E+00 |GRAD(Rho)| 0.2966351E-15 GRAD(Rho)x 0.2761734E-15 GRAD(Rho)y -0.1051947E-15 GRAD(Rho)z -0.2558717E-16 Laplacian 0.6953631E+00 (-1/4)Del**2(Rho)) -0.1738408E+00 Diamond 0.1718633E+01 Metallicity 0.5562688E+01 Ellipticity 0.4506757E-01 Gb(Abramov) 0.2770642E+00 Vb(Abramov) -0.3802876E+00 Hb(Abramov) -0.1032234E+00 Ex_ueg -0.7374937E-01 Ec_ueg -0.1023548E-01 Delta_ex -0.7781867E-01 Delta_ec 0.1678724E-01 Delta_et -0.2278745E+00 Pxc 0.7205267E+01 Qxc -0.4635583E+01 3,-1 146 3 -1 3.108199 -0.737168 -0.901342 Rho 0.1430654E+00 |GRAD(Rho)| 0.1741140E-15 GRAD(Rho)x 0.5001560E-16 GRAD(Rho)y 0.3303767E-16 GRAD(Rho)z -0.1634706E-15 Laplacian 0.6081865E+00 (-1/4)Del**2(Rho)) -0.1520466E+00 Diamond 0.1161227E+01 Metallicity 0.4434052E+01 Ellipticity 0.7533461E-02 Gb(Abramov) 0.2137282E+00 Vb(Abramov) -0.2754097E+00 Hb(Abramov) -0.6168156E-01 Ex_ueg -0.5526259E-01 Ec_ueg -0.8001088E-02 Delta_ex -0.6452695E-01 Delta_ec 0.1555278E-01 Delta_et -0.2055120E+00 Pxc 0.6906884E+01 Qxc -0.4148902E+01 3,-1 147 3 -1 2.468353 -0.355412 2.696329 Rho 0.1781418E+00 |GRAD(Rho)| 0.2430576E-15 GRAD(Rho)x 0.1428978E-15 GRAD(Rho)y -0.1963761E-15 GRAD(Rho)z 0.9676504E-17 Laplacian 0.6913666E+00 (-1/4)Del**2(Rho)) -0.1728416E+00 Diamond 0.1719698E+01 Metallicity 0.5621441E+01 Ellipticity 0.4027666E-01 Gb(Abramov) 0.2771643E+00 Vb(Abramov) -0.3814869E+00 Hb(Abramov) -0.1043226E+00 Ex_ueg -0.7402970E-01 Ec_ueg -0.1026872E-01 Delta_ex -0.7746717E-01 Delta_ec 0.1675030E-01 Delta_et -0.2276546E+00 Pxc 0.7209244E+01 Qxc -0.4624821E+01 3,-1 148 3 -1 0.070130 -0.372622 0.663047 Rho 0.1732544E+00 |GRAD(Rho)| 0.5151933E-13 GRAD(Rho)x -0.2226171E-13 GRAD(Rho)y 0.2170139E-13 GRAD(Rho)z -0.4108172E-13 Laplacian 0.4367999E+00 (-1/4)Del**2(Rho)) -0.1092000E+00 Diamond 0.1075520E+01 Metallicity 0.8494501E+01 Ellipticity 0.8764700E-02 Gb(Abramov) 0.2273999E+00 Vb(Abramov) -0.3455998E+00 Hb(Abramov) -0.1181999E+00 Ex_ueg -0.7133416E-01 Ec_ueg -0.9948398E-02 Delta_ex -0.4880583E-01 Delta_ec 0.1102284E-01 Delta_et -0.1503871E+00 Pxc 0.7170417E+01 Qxc -0.4427702E+01 3,-1 149 3 +3 0.589583 3.286582 0.000556 Rho 0.1272134E-01 |GRAD(Rho)| 0.1615269E-12 GRAD(Rho)x 0.8323840E-13 GRAD(Rho)y 0.9050741E-14 GRAD(Rho)z -0.1381317E-12 Laplacian 0.5982449E-01 (-1/4)Del**2(Rho)) -0.1495612E-01 Diamond 0.1615992E-02 Metallicity 0.7985254E+00 Ellipticity -0.8839632E+00 Gb(Abramov) 0.1196122E-01 Vb(Abramov) -0.8966322E-02 Hb(Abramov) 0.2994900E-02 Ex_ueg -0.2193287E-02 Ec_ueg -0.4929700E-03 Delta_ex -0.2724093E-02 Delta_ec 0.3082463E-03 Delta_et -0.2692756E-02 Pxc 0.4449128E+01 Qxc -0.8837392E+01 3,+3 150 3 +1 0.615791 3.414183 -0.000348 Rho 0.1275054E-01 |GRAD(Rho)| 0.1019693E-14 GRAD(Rho)x -0.5400868E-15 GRAD(Rho)y -0.1221802E-15 GRAD(Rho)z -0.8562429E-15 Laplacian 0.6070891E-01 (-1/4)Del**2(Rho)) -0.1517723E-01 Diamond 0.2013761E-02 Metallicity 0.7899054E+00 Ellipticity -0.1085158E+01 Gb(Abramov) 0.1211625E-01 Vb(Abramov) -0.9055267E-02 Hb(Abramov) 0.3060980E-02 Ex_ueg -0.2200003E-02 Ec_ueg -0.4943265E-03 Delta_ex -0.2864452E-02 Delta_ec 0.4882115E-03 Delta_et -0.3938002E-02 Pxc 0.4450505E+01 Qxc -0.5867235E+01 3,+1 151 3 -1 0.520031 3.315757 -1.510354 Rho 0.1462719E+00 |GRAD(Rho)| 0.5089303E-13 GRAD(Rho)x 0.2847096E-13 GRAD(Rho)y -0.2864662E-13 GRAD(Rho)z 0.3096573E-13 Laplacian 0.5785562E+00 (-1/4)Del**2(Rho)) -0.1446391E+00 Diamond 0.1138865E+01 Metallicity 0.4836551E+01 Ellipticity 0.3755355E-01 Gb(Abramov) 0.2130184E+00 Vb(Abramov) -0.2813977E+00 Hb(Abramov) -0.6837934E-01 Ex_ueg -0.5692018E-01 Ec_ueg -0.8205290E-02 Delta_ex -0.6176266E-01 Delta_ec 0.1479555E-01 Delta_et -0.1963135E+00 Pxc 0.6937010E+01 Qxc -0.4174407E+01 3,-1 152 3 -1 0.520388 3.319483 1.511085 Rho 0.1420293E+00 |GRAD(Rho)| 0.1158519E-15 GRAD(Rho)x 0.5041540E-16 GRAD(Rho)y -0.8265686E-16 GRAD(Rho)z 0.6362234E-16 Laplacian 0.5618163E+00 (-1/4)Del**2(Rho)) -0.1404541E+00 Diamond 0.1068421E+01 Metallicity 0.4742222E+01 Ellipticity 0.3479636E-01 Gb(Abramov) 0.2046468E+00 Vb(Abramov) -0.2688395E+00 Hb(Abramov) -0.6419270E-01 Ex_ueg -0.5472958E-01 Ec_ueg -0.7935240E-02 Delta_ex -0.5955558E-01 Delta_ec 0.1448930E-01 Delta_et -0.1914619E+00 Pxc 0.6897029E+01 Qxc -0.4110314E+01 3,-1 153 3 -1 2.704558 -1.541513 -1.995846 Rho 0.1443107E+00 |GRAD(Rho)| 0.4026859E-09 GRAD(Rho)x -0.1206618E-09 GRAD(Rho)y -0.3827176E-09 GRAD(Rho)z -0.3352505E-10 Laplacian 0.5707621E+00 (-1/4)Del**2(Rho)) -0.1426905E+00 Diamond 0.1110511E+01 Metallicity 0.4793535E+01 Ellipticity 0.2692615E-01 Gb(Abramov) 0.2091257E+00 Vb(Abramov) -0.2755608E+00 Hb(Abramov) -0.6643515E-01 Ex_ueg -0.5590491E-01 Ec_ueg -0.8080320E-02 Delta_ex -0.6078274E-01 Delta_ec 0.1473949E-01 Delta_et -0.1953935E+00 Pxc 0.6918650E+01 Qxc -0.4123803E+01 3,-1 154 3 -1 0.313453 -2.535126 2.730277 Rho 0.1417040E+00 |GRAD(Rho)| 0.3542927E-09 GRAD(Rho)x -0.4774938E-10 GRAD(Rho)y 0.1879196E-09 GRAD(Rho)z 0.2965291E-09 Laplacian 0.5529513E+00 (-1/4)Del**2(Rho)) -0.1382378E+00 Diamond 0.1051816E+01 Metallicity 0.4799876E+01 Ellipticity 0.4989839E-01 Gb(Abramov) 0.2027459E+00 Vb(Abramov) -0.2672541E+00 Hb(Abramov) -0.6450812E-01 Ex_ueg -0.5456255E-01 Ec_ueg -0.7914586E-02 Delta_ex -0.5861690E-01 Delta_ec 0.1432901E-01 Delta_et -0.1894068E+00 Pxc 0.6893924E+01 Qxc -0.4090784E+01 3,-1 155 3 -1 0.382886 -2.549367 -2.716861 Rho 0.1509047E+00 |GRAD(Rho)| 0.4190037E-15 GRAD(Rho)x -0.1376733E-15 GRAD(Rho)y 0.2405980E-15 GRAD(Rho)z -0.3142018E-15 Laplacian 0.6016103E+00 (-1/4)Del**2(Rho)) -0.1504026E+00 Diamond 0.1226629E+01 Metallicity 0.4899320E+01 Ellipticity 0.6215162E-01 Gb(Abramov) 0.2230801E+00 Vb(Abramov) -0.2957576E+00 Hb(Abramov) -0.7267753E-01 Ex_ueg -0.5933651E-01 Ec_ueg -0.8501452E-02 Delta_ex -0.6468933E-01 Delta_ec 0.1521725E-01 Delta_et -0.2026842E+00 Pxc 0.6979574E+01 Qxc -0.4251053E+01 3,-1 156 3 -1 -0.063463 0.006550 4.538622 Rho 0.2317542E+00 |GRAD(Rho)| 0.1534975E-14 GRAD(Rho)x -0.9930953E-16 GRAD(Rho)y -0.1487783E-14 GRAD(Rho)z 0.3644004E-15 Laplacian 0.8600245E+00 (-1/4)Del**2(Rho)) -0.2150061E+00 Diamond 0.2910160E+01 Metallicity 0.7006188E+01 Ellipticity 0.1879861E-01 Gb(Abramov) 0.3943996E+00 Vb(Abramov) -0.5737932E+00 Hb(Abramov) -0.1793935E+00 Ex_ueg -0.1051369E+00 Ec_ueg -0.1387097E-01 Delta_ex -0.1029313E+00 Delta_ec 0.1913346E-01 Delta_et -0.2644137E+00 Pxc 0.7579638E+01 Qxc -0.5379651E+01 3,-1 157 3 -1 -1.326118 -3.096277 -0.573466 Rho 0.3061066E+00 |GRAD(Rho)| 0.3547023E-13 GRAD(Rho)x 0.4015390E-14 GRAD(Rho)y 0.3065211E-14 GRAD(Rho)z -0.3510866E-13 Laplacian -0.1502155E+01 (-1/4)Del**2(Rho)) 0.3755387E+00 Diamond 0.5108442E+01 Metallicity -0.6378026E+01 Ellipticity 0.5531356E-02 Gb(Abramov) 0.1488401E+00 Vb(Abramov) -0.6732189E+00 Hb(Abramov) -0.5243788E+00 Ex_ueg -0.1523639E+00 Ec_ueg -0.1912870E-01 Delta_ex 0.1464952E+00 Delta_ec 0.5331624E-01 Delta_et -0.1239515E+01 Pxc 0.7965197E+01 Qxc 0.2747665E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 84 118 122 104 155 101 52 76 49 77 123 152 124 130 143 93 144 147 98 71 135 53 51 126 108 107 140 139 142 129 156 136 58 70 127 128 125 134 117 154 105 102 138 95 146 145 153 97 75 73 50 74 151 115 137 113 110 114 141 133 69 148 121 67 64 131 132 157 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 21 23 26 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 28 36 45 46 36 36 47 23 28 46 45 47 2.417319 1.924574 1.940542 1.956176 1.920618 1.745138 1.756748 2.378249 1.929846 1.914788 1.972014 1.945170 1.740990 2.574889 1.956588 2.028990 1.862320 1.857652 1.747489 2.361010 1.955839 1.758625 2.139975 2.009334 1.742328 2.440620 1.910215 1.870171 1.980505 1.962574 1.756608 2.375567 1.760711 1.982600 1.974127 2.134524 2.393212 1.790521 1.971916 1.946080 2.102037 1.753449 2.580189 1.959217 1.931010 1.858878 1.937534 1.744593 2.384315 1.939711 1.932446 1.741028 1.933696 1.953094 1.731636 3.250161 3.206710 1.679454 1.765387 1.762769 1.750254 1.730302 1.681429 3.022654 3.018407 1.004352 1.004674 1.009322 2.418853 1.925159 1.941446 1.956715 1.921239 1.745145 1.756769 2.379776 1.931267 1.915300 1.972580 1.945695 1.740998 2.576493 1.956979 2.029335 1.862700 1.858068 1.747496 2.362559 1.956136 1.758674 2.140475 2.009934 1.742336 2.442162 1.910603 1.870596 1.981082 1.963150 1.756632 2.377277 1.760758 1.982892 1.974710 2.135058 2.394839 1.790624 1.972232 1.946661 2.102579 1.753469 2.581830 1.959648 1.931399 1.859322 1.938017 1.744597 2.385898 1.940209 1.933902 1.741034 1.934219 1.953629 1.731705 3.288992 3.240343 1.679561 1.772407 1.769794 1.750263 1.730360 1.684007 3.032809 3.031073 1.004444 1.004768 1.009399 27 25 23 23 23 21 22 27 23 25 23 23 23 29 23 25 22 22 20 27 23 24 25 24 24 27 23 23 25 25 23 29 24 26 24 25 27 22 24 23 27 22 29 25 23 22 23 20 27 25 23 22 23 23 24 35 35 21 24 24 24 21 21 33 33 20 19 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 W O W W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.4445 -0.8390 2.4635 2.4458 2.3763 2.4991 2.3642 -0.8057 -0.8398 2.3800 2.4596 2.4599 -1.0927 -0.9034 -1.1167 -1.0952 -0.8677 -0.9774 -0.8049 -0.9660 -0.7813 -0.9762 -0.7797 -0.9737 -0.9731 -0.8065 -0.9558 -0.8001 -0.9656 -0.8004 -0.9781 -0.9991 -0.9788 -0.9662 -0.9689 2.3035 -0.8331 -0.9690 -0.9832 -0.9797 -0.8112 -0.8173 -0.8000 -0.8265 0.2785 0.2783 0.2790 2.1031 1.9566 2.0990 2.0964 2.1225 2.0832 2.1249 1.9629 1.9565 2.1199 2.0910 2.1003 1.9340 1.9592 1.9274 1.9347 1.9549 1.9280 1.9595 1.9310 1.8749 1.9295 1.8753 1.9295 1.9285 1.8762 1.9333 1.9601 1.9435 1.9627 1.9409 1.9383 1.9389 1.9387 1.9418 0.8816 1.9575 1.9427 1.9406 1.9409 1.9603 1.9615 1.9629 1.9598 0.5654 0.5653 0.5559 6.1049 4.8498 6.0952 6.0909 6.1058 6.0787 6.1100 4.8079 4.8507 6.1118 6.0912 6.0964 5.1239 4.9083 5.1545 5.1254 4.8801 5.0211 4.8123 5.0044 4.8758 5.0180 4.8736 5.0145 5.0161 4.8994 4.9922 4.8065 4.9921 4.8028 5.0061 5.0298 5.0078 4.9963 4.9962 1.2642 4.8427 4.9963 5.0121 5.0074 4.8166 4.8213 4.8022 4.8326 0.1561 0.1564 0.1650 3.3183 0.0326 3.3131 3.3377 3.3669 3.3093 3.3724 0.0348 0.0326 3.3594 3.3288 3.3142 0.0348 0.0359 0.0348 0.0351 0.0328 0.0284 0.0332 0.0305 0.0306 0.0287 0.0308 0.0297 0.0285 0.0310 0.0303 0.0335 0.0299 0.0349 0.0311 0.0310 0.0322 0.0312 0.0309 10.5507 0.0330 0.0300 0.0305 0.0315 0.0342 0.0345 0.0349 0.0341 0.0000 0.0000 0.0000 14.0292 0.0000 14.0291 14.0292 14.0285 14.0297 14.0285 0.0000 0.0000 14.0288 14.0294 14.0291 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 W O W W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.509906 -0.888334 2.510363 2.494772 2.473869 2.511126 2.473594 -0.843113 -0.889211 2.481255 2.501635 2.510057 -1.088614 -0.844706 -1.102063 -1.088153 -0.831339 -0.982331 -0.863131 -0.968690 -0.630447 -0.982524 -0.628198 -0.971287 -0.978767 -0.655946 -0.961962 -0.856145 -0.965092 -0.837510 -0.960554 -0.975882 -0.965884 -0.963622 -0.966898 2.295372 -0.881703 -0.970439 -0.958332 -0.960227 -0.856288 -0.856929 -0.836734 -0.868664 0.042226 0.041495 0.034048 1.943607 -0.797326 1.943385 1.928886 1.929496 1.932940 1.929542 -0.749323 -0.798375 1.924899 1.927763 1.942803 -0.735081 -0.693469 -0.743397 -0.734952 -0.750265 -0.728219 -0.769275 -0.734061 -0.776554 -0.725111 -0.772837 -0.726450 -0.729284 -0.797235 -0.736693 -0.756507 -0.813928 -0.727435 -0.793068 -0.798900 -0.787060 -0.786884 -0.812446 1.704652 -0.788677 -0.816181 -0.778569 -0.788248 -0.754032 -0.764577 -0.726173 -0.775954 0.294944 0.296447 0.267184 2.073275 -0.774147 2.031788 2.028140 2.015943 2.036611 2.020901 -0.710218 -0.774309 2.029009 2.031319 2.031674 -0.808113 -0.694859 -0.813681 -0.793786 -0.791215 -0.818561 -0.789357 -0.810944 -0.816235 -0.825260 -0.811035 -0.821707 -0.815475 -0.808089 -0.812705 -0.774887 -0.842619 -0.704157 -0.835914 -0.858190 -0.827024 -0.824596 -0.835921 1.677463 -0.766775 -0.842197 -0.831565 -0.833401 -0.744934 -0.730755 -0.702622 -0.744266 0.356555 0.356182 0.300659 -17.90044306 0.68738108 -1.08114536 17.94623163 67.54938386 18.75444665 -1.99958946 -19.54369323 3.23862185 -48.00569063 -327.2146 361.1405 -33.8068 -355.3371 -44.5629 -399.7809 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 0 Mar03-2024 09:50:01 Nodes: 1 Procs: 1 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 09:50:02 Nodes: 1 Procs: 1 Mar03-2024 09:50:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 09:50:03 Nodes: 1 Procs: 1 Mar03-2024 09:50:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar03-2024 09:50:06 Nodes: 1 Procs: 28 *** (NO TITLE) *** -6 -14.61325651 -14.68328292 -14.68714395 -14.68907820 -14.68983796 -14.69031295 -14.69094400 -14.69126585 -14.69139876 -14.69149893 -14.69154742 -14.69158764 -14.69162699 -14.69165440 -14.69166961 -14.69167640 GEOMETRY CONVERGED