ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 02:26:14 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 02:26:15 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 0 Apr28-2024 02:26:15 Nodes: 1 Procs: 1 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 02:26:16 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 0 Apr28-2024 02:26:15 Nodes: 1 Procs: 1 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Apr28-2024 02:26:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 02:26:17 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 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 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 0 Apr28-2024 02:26:15 Nodes: 1 Procs: 1 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Apr28-2024 02:26:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 02:26:17 Nodes: 1 Procs: 1 Apr28-2024 02:26:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 02:26:20 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2325.590361000001 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-3 -3.394146 2.245789 0.001742 Rho 0.3189843E+03 3,-3 33 3 -3 1.475485 1.392635 3.449622 Rho 0.3189846E+03 3,-3 34 3 -3 1.536936 -1.281252 -3.490800 Rho 0.3189695E+03 3,-3 35 3 -3 -1.465779 3.495305 1.332886 Rho 0.3190699E+03 3,-3 36 3 -3 -1.776808 -3.654941 -1.659098 Rho 0.3192626E+03 3,-3 37 3 -3 -1.787175 -3.657368 1.680062 Rho 0.3192704E+03 3,-3 38 3 -3 -1.473245 3.481356 -1.351321 Rho 0.3190170E+03 3,-3 39 3 -3 1.534279 -1.280574 3.469697 Rho 0.3189991E+03 3,-3 40 3 -3 1.482385 1.392035 -3.440564 Rho 0.3189188E+03 3,-3 41 3 -3 -0.202317 -0.004538 5.283769 Rho 0.3194159E+03 3,-3 42 3 -3 3.888156 -2.716275 -2.551580 Rho 0.3193524E+03 3,-3 43 3 -3 -0.195409 0.022101 -5.263790 Rho 0.3192795E+03 3,-3 44 3 -3 0.224641 5.332025 -0.017364 Rho 0.3193854E+03 3,-3 45 3 -3 3.889827 -2.684893 2.528369 Rho 0.3192232E+03 3,-3 46 3 -3 3.760148 2.859287 -2.535078 Rho 0.3192648E+03 3,-3 47 3 -3 -3.756056 2.509484 -2.791836 Rho 0.3192509E+03 3,-3 48 3 -3 -3.865080 -2.283002 2.777621 Rho 0.3192266E+03 3,-3 49 3 -3 -3.847375 -2.307823 -2.805075 Rho 0.3192234E+03 3,-3 50 3 -3 -3.752338 2.539693 2.821732 Rho 0.3193784E+03 3,-3 51 3 -3 3.740242 2.860362 2.549363 Rho 0.3192675E+03 3,-3 52 3 -1 -1.715807 -1.638979 -0.844379 Rho 0.4767689E-01 |GRAD(Rho)| 0.7308809E-13 GRAD(Rho)x -0.4254963E-13 GRAD(Rho)y -0.3360664E-13 GRAD(Rho)z -0.4901011E-13 Laplacian 0.1882067E+00 (-1/4)Del**2(Rho)) -0.4705167E-01 Diamond 0.9076382E-01 Metallicity 0.2295221E+01 Ellipticity 0.1657465E-01 Gb(Abramov) 0.4936678E-01 Vb(Abramov) -0.5168189E-01 Hb(Abramov) -0.2315109E-02 Ex_ueg -0.1276818E-01 Ec_ueg -0.2286869E-02 Delta_ex -0.1536878E-01 Delta_ec 0.5719017E-02 Delta_et -0.5958536E-01 Pxc 0.5583257E+01 Qxc -0.2687312E+01 3,-1 53 3 +1 -0.254192 -2.554670 -1.161546 Rho 0.3008489E-02 |GRAD(Rho)| 0.6191626E-11 GRAD(Rho)x -0.2578242E-11 GRAD(Rho)y 0.4088252E-11 GRAD(Rho)z 0.3869766E-11 Laplacian 0.1199663E-01 (-1/4)Del**2(Rho)) -0.2999157E-02 Diamond 0.1059872E-03 Metallicity 0.3601373E+00 Ellipticity -0.1315485E+01 Gb(Abramov) 0.2179456E-02 Vb(Abramov) -0.1359755E-02 Hb(Abramov) 0.8197010E-03 Ex_ueg -0.3207621E-03 Ec_ueg -0.6224320E-04 Delta_ex -0.4779808E-03 Delta_ec 0.2619698E-03 Delta_et -0.1268491E-02 Pxc 0.5153368E+01 Qxc -0.1824565E+01 3,+1 54 3 -1 -0.189976 -3.354011 -1.571559 Rho 0.4874944E-02 |GRAD(Rho)| 0.5315325E-16 GRAD(Rho)x 0.1158628E-16 GRAD(Rho)y -0.3983991E-16 GRAD(Rho)z -0.3322361E-16 Laplacian 0.1901619E-01 (-1/4)Del**2(Rho)) -0.4754046E-02 Diamond 0.6721416E-03 Metallicity 0.5078933E+00 Ellipticity 0.1398942E+00 Gb(Abramov) 0.3571789E-02 Vb(Abramov) -0.2389532E-02 Hb(Abramov) 0.1182257E-02 Ex_ueg -0.6104891E-03 Ec_ueg -0.1415351E-03 Delta_ex -0.1174763E-02 Delta_ec 0.1016408E-02 Delta_et -0.5308816E-02 Pxc 0.4313340E+01 Qxc -0.1155798E+01 3,-1 55 3 -1 -0.202795 -3.353589 1.583073 Rho 0.4892437E-02 |GRAD(Rho)| 0.7851654E-12 GRAD(Rho)x 0.3992290E-12 GRAD(Rho)y 0.6641207E-12 GRAD(Rho)z -0.1266674E-12 Laplacian 0.1893642E-01 (-1/4)Del**2(Rho)) -0.4734106E-02 Diamond 0.6663077E-03 Metallicity 0.5130864E+00 Ellipticity 0.1400281E+00 Gb(Abramov) 0.3560905E-02 Vb(Abramov) -0.2387704E-02 Hb(Abramov) 0.1173201E-02 Ex_ueg -0.6134116E-03 Ec_ueg -0.1422868E-03 Delta_ex -0.1164521E-02 Delta_ec 0.1001504E-02 Delta_et -0.5239382E-02 Pxc 0.4311092E+01 Qxc -0.1162772E+01 3,-1 56 3 +3 -2.385609 -0.047597 0.016565 Rho 0.4842364E-02 |GRAD(Rho)| 0.8772891E-16 GRAD(Rho)x -0.4641948E-16 GRAD(Rho)y -0.7260119E-16 GRAD(Rho)z -0.1645179E-16 Laplacian 0.2024205E-01 (-1/4)Del**2(Rho)) -0.5060512E-02 Diamond 0.2045719E-03 Metallicity 0.4718324E+00 Ellipticity -0.6541594E+00 Gb(Abramov) 0.3771627E-02 Vb(Abramov) -0.2482742E-02 Hb(Abramov) 0.1288885E-02 Ex_ueg -0.6050552E-03 Ec_ueg -0.1401354E-03 Delta_ex -0.7603032E-03 Delta_ec 0.2090410E-03 Delta_et -0.1298173E-02 Pxc 0.4317647E+01 Qxc -0.3637101E+01 3,+3 57 3 +1 -2.975827 -0.339508 0.015235 Rho 0.5256740E-02 |GRAD(Rho)| 0.3451228E-17 GRAD(Rho)x 0.1117177E-17 GRAD(Rho)y -0.1566105E-17 GRAD(Rho)z -0.2865346E-17 Laplacian 0.2136369E-01 (-1/4)Del**2(Rho)) -0.5340922E-02 Diamond 0.3888449E-03 Metallicity 0.5126227E+00 Ellipticity -0.1480452E+01 Gb(Abramov) 0.4016927E-02 Vb(Abramov) -0.2692933E-02 Hb(Abramov) 0.1323994E-02 Ex_ueg -0.6750570E-03 Ec_ueg -0.1579781E-03 Delta_ex -0.9474076E-03 Delta_ec 0.4493292E-03 Delta_et -0.2566980E-02 Pxc 0.4273106E+01 Qxc -0.2108493E+01 3,+1 58 3 +1 -0.594153 -0.831763 1.541293 Rho 0.9150383E-02 |GRAD(Rho)| 0.1885819E-15 GRAD(Rho)x -0.1424966E-15 GRAD(Rho)y -0.1049404E-15 GRAD(Rho)z 0.6515643E-16 Laplacian 0.3905912E-01 (-1/4)Del**2(Rho)) -0.9764779E-02 Diamond 0.1236866E-02 Metallicity 0.7062463E+00 Ellipticity -0.1463934E+01 Gb(Abramov) 0.7659242E-02 Vb(Abramov) -0.5553706E-02 Hb(Abramov) 0.2105536E-02 Ex_ueg -0.1413527E-02 Ec_ueg -0.3296725E-03 Delta_ex -0.1853901E-02 Delta_ec 0.6231953E-03 Delta_et -0.4269273E-02 Pxc 0.4287670E+01 Qxc -0.2974832E+01 3,+1 59 3 +3 -1.138279 0.026881 1.585131 Rho 0.4920797E-02 |GRAD(Rho)| 0.7043326E-17 GRAD(Rho)x 0.7507458E-18 GRAD(Rho)y 0.3353275E-17 GRAD(Rho)z -0.6148201E-17 Laplacian 0.2027771E-01 (-1/4)Del**2(Rho)) -0.5069427E-02 Diamond 0.1495861E-03 Metallicity 0.4837861E+00 Ellipticity -0.2944755E+00 Gb(Abramov) 0.3788371E-02 Vb(Abramov) -0.2507315E-02 Hb(Abramov) 0.1281056E-02 Ex_ueg -0.6181573E-03 Ec_ueg -0.1435060E-03 Delta_ex -0.7079587E-03 Delta_ec 0.1080276E-03 Delta_et -0.7987269E-03 Pxc 0.4307537E+01 Qxc -0.6553497E+01 3,+3 60 3 +1 -0.554034 0.798912 1.586350 Rho 0.8051546E-02 |GRAD(Rho)| 0.2382312E-12 GRAD(Rho)x -0.1943841E-12 GRAD(Rho)y -0.1322453E-12 GRAD(Rho)z -0.3847241E-13 Laplacian 0.3299487E-01 (-1/4)Del**2(Rho)) -0.8248716E-02 Diamond 0.8546311E-03 Metallicity 0.6755107E+00 Ellipticity -0.1426223E+01 Gb(Abramov) 0.6427827E-02 Vb(Abramov) -0.4606938E-02 Hb(Abramov) 0.1820889E-02 Ex_ueg -0.1191857E-02 Ec_ueg -0.2805080E-03 Delta_ex -0.1505819E-02 Delta_ec 0.5059755E-03 Delta_et -0.3365568E-02 Pxc 0.4248923E+01 Qxc -0.2976071E+01 3,+1 61 3 -1 -1.776822 -1.637976 -2.353940 Rho 0.1326858E+00 |GRAD(Rho)| 0.1136733E-13 GRAD(Rho)x 0.1057566E-13 GRAD(Rho)y 0.3413211E-14 GRAD(Rho)z 0.2391980E-14 Laplacian 0.5536686E+00 (-1/4)Del**2(Rho)) -0.1384172E+00 Diamond 0.9794828E+00 Metallicity 0.4296062E+01 Ellipticity 0.1434316E-01 Gb(Abramov) 0.1913862E+00 Vb(Abramov) -0.2443553E+00 Hb(Abramov) -0.5296906E-01 Ex_ueg -0.4998245E-01 Ec_ueg -0.7344547E-02 Delta_ex -0.5783837E-01 Delta_ec 0.1470919E-01 Delta_et -0.1927054E+00 Pxc 0.6805383E+01 Qxc -0.3932126E+01 3,-1 62 3 +1 -2.180501 -1.737541 -0.047320 Rho 0.2871104E-01 |GRAD(Rho)| 0.5155990E-16 GRAD(Rho)x -0.3348933E-16 GRAD(Rho)y 0.3831543E-16 GRAD(Rho)z -0.8295536E-17 Laplacian 0.1200350E+00 (-1/4)Del**2(Rho)) -0.3000874E-01 Diamond 0.2062524E-01 Metallicity 0.1545446E+01 Ellipticity -0.6947552E+01 Gb(Abramov) 0.2773531E-01 Vb(Abramov) -0.2546187E-01 Hb(Abramov) 0.2273434E-02 Ex_ueg -0.6493074E-02 Ec_ueg -0.1277315E-02 Delta_ex -0.7895028E-02 Delta_ec 0.2299519E-02 Delta_et -0.2095572E-01 Pxc 0.5083378E+01 Qxc -0.3433339E+01 3,+1 63 3 -1 -1.718756 -1.639252 0.834766 Rho 0.4878142E-01 |GRAD(Rho)| 0.2560730E-15 GRAD(Rho)x -0.5765584E-16 GRAD(Rho)y 0.2408919E-16 GRAD(Rho)z -0.2483323E-15 Laplacian 0.1930309E+00 (-1/4)Del**2(Rho)) -0.4825772E-01 Diamond 0.9602050E-01 Metallicity 0.2324933E+01 Ellipticity 0.1782150E-01 Gb(Abramov) 0.5087114E-01 Vb(Abramov) -0.5348456E-01 Hb(Abramov) -0.2613420E-02 Ex_ueg -0.1316409E-01 Ec_ueg -0.2347627E-02 Delta_ex -0.1585270E-01 Delta_ec 0.5863603E-02 Delta_et -0.6146197E-01 Pxc 0.5607405E+01 Qxc -0.2703576E+01 3,-1 64 3 -1 -1.791164 -1.628659 2.338855 Rho 0.1311906E+00 |GRAD(Rho)| 0.6218658E-13 GRAD(Rho)x -0.4501794E-13 GRAD(Rho)y -0.2648282E-13 GRAD(Rho)z -0.3375226E-13 Laplacian 0.5471255E+00 (-1/4)Del**2(Rho)) -0.1367814E+00 Diamond 0.9554957E+00 Metallicity 0.4266098E+01 Ellipticity 0.1493948E-01 Gb(Abramov) 0.1884414E+00 Vb(Abramov) -0.2401014E+00 Hb(Abramov) -0.5166001E-01 Ex_ueg -0.4923291E-01 Ec_ueg -0.7250549E-02 Delta_ex -0.5700722E-01 Delta_ec 0.1458904E-01 Delta_et -0.1908044E+00 Pxc 0.6790232E+01 Qxc -0.3907538E+01 3,-1 65 3 +3 -1.151879 -0.014299 -1.579008 Rho 0.5201215E-02 |GRAD(Rho)| 0.2532197E-15 GRAD(Rho)x -0.3802169E-16 GRAD(Rho)y -0.2339515E-15 GRAD(Rho)z -0.8911378E-16 Laplacian 0.2164339E-01 (-1/4)Del**2(Rho)) -0.5410846E-02 Diamond 0.1678252E-03 Metallicity 0.4971216E+00 Ellipticity -0.2788507E+00 Gb(Abramov) 0.4055539E-02 Vb(Abramov) -0.2700232E-02 Hb(Abramov) 0.1355307E-02 Ex_ueg -0.6655665E-03 Ec_ueg -0.1555821E-03 Delta_ex -0.7633096E-03 Delta_ec 0.1083726E-03 Delta_et -0.8262424E-03 Pxc 0.4277910E+01 Qxc -0.7043379E+01 3,+3 66 3 +1 -1.763473 0.042420 2.477228 Rho 0.1153282E-01 |GRAD(Rho)| 0.2712541E-15 GRAD(Rho)x 0.8147112E-16 GRAD(Rho)y 0.2444193E-15 GRAD(Rho)z 0.8485543E-16 Laplacian 0.5631056E-01 (-1/4)Del**2(Rho)) -0.1407764E-01 Diamond 0.2154872E-02 Metallicity 0.7204142E+00 Ellipticity -0.1281003E+01 Gb(Abramov) 0.1107538E-01 Vb(Abramov) -0.8073124E-02 Hb(Abramov) 0.3002258E-02 Ex_ueg -0.1924416E-02 Ec_ueg -0.4380454E-03 Delta_ex -0.2744617E-02 Delta_ec 0.7407327E-03 Delta_et -0.5492771E-02 Pxc 0.4393188E+01 Qxc -0.3705273E+01 3,+1 67 3 +1 -1.760203 0.008946 -2.457377 Rho 0.1166761E-01 |GRAD(Rho)| 0.2045801E-14 GRAD(Rho)x -0.4696210E-15 GRAD(Rho)y -0.1971359E-14 GRAD(Rho)z 0.2801817E-15 Laplacian 0.5691411E-01 (-1/4)Del**2(Rho)) -0.1422853E-01 Diamond 0.2203570E-02 Metallicity 0.7267137E+00 Ellipticity -0.1283209E+01 Gb(Abramov) 0.1120903E-01 Vb(Abramov) -0.8189530E-02 Hb(Abramov) 0.3019498E-02 Ex_ueg -0.1954465E-02 Ec_ueg -0.4442467E-03 Delta_ex -0.2779703E-02 Delta_ec 0.7436594E-03 Delta_et -0.5534143E-02 Pxc 0.4399502E+01 Qxc -0.3737871E+01 3,+1 68 3 +1 -1.724840 -0.021903 -0.745521 Rho 0.9587535E-02 |GRAD(Rho)| 0.1964028E-16 GRAD(Rho)x 0.1591919E-16 GRAD(Rho)y -0.7385857E-17 GRAD(Rho)z 0.8818682E-17 Laplacian 0.4053094E-01 (-1/4)Del**2(Rho)) -0.1013273E-01 Diamond 0.1353565E-02 Metallicity 0.7356504E+00 Ellipticity -0.1483322E+01 Gb(Abramov) 0.7997514E-02 Vb(Abramov) -0.5862294E-02 Hb(Abramov) 0.2135220E-02 Ex_ueg -0.1504277E-02 Ec_ueg -0.3493789E-03 Delta_ex -0.1940775E-02 Delta_ec 0.6368381E-03 Delta_et -0.4423591E-02 Pxc 0.4305573E+01 Qxc -0.3047517E+01 3,+1 69 3 +1 -1.733448 -0.010058 0.750382 Rho 0.9112885E-02 |GRAD(Rho)| 0.2005246E-14 GRAD(Rho)x -0.1481399E-14 GRAD(Rho)y 0.6128884E-15 GRAD(Rho)z 0.1204506E-14 Laplacian 0.3850564E-01 (-1/4)Del**2(Rho)) -0.9626410E-02 Diamond 0.1224595E-02 Metallicity 0.7115116E+00 Ellipticity -0.1486008E+01 Gb(Abramov) 0.7559157E-02 Vb(Abramov) -0.5491904E-02 Hb(Abramov) 0.2067253E-02 Ex_ueg -0.1405809E-02 Ec_ueg -0.3279860E-03 Delta_ex -0.1830792E-02 Delta_ec 0.6233409E-03 Delta_et -0.4259327E-02 Pxc 0.4286185E+01 Qxc -0.2937064E+01 3,+1 70 3 +1 -1.086381 2.403102 -0.594564 Rho 0.2358070E-01 |GRAD(Rho)| 0.2570632E-16 GRAD(Rho)x -0.5166740E-17 GRAD(Rho)y 0.2487614E-16 GRAD(Rho)z 0.3911174E-17 Laplacian 0.9313588E-01 (-1/4)Del**2(Rho)) -0.2328397E-01 Diamond 0.1189680E-01 Metallicity 0.1434688E+01 Ellipticity -0.4485895E+01 Gb(Abramov) 0.2109018E-01 Vb(Abramov) -0.1889640E-01 Hb(Abramov) 0.2193785E-02 Ex_ueg -0.4994141E-02 Ec_ueg -0.1017524E-02 Delta_ex -0.5780146E-02 Delta_ec 0.1718194E-02 Delta_et -0.1491311E-01 Pxc 0.4908132E+01 Qxc -0.3364082E+01 3,+1 71 3 -1 -0.571204 -0.666215 3.217424 Rho 0.1381406E+00 |GRAD(Rho)| 0.6784092E-15 GRAD(Rho)x 0.5173948E-15 GRAD(Rho)y 0.2758075E-15 GRAD(Rho)z 0.3412797E-15 Laplacian 0.5886512E+00 (-1/4)Del**2(Rho)) -0.1471628E+00 Diamond 0.1061674E+01 Metallicity 0.4321398E+01 Ellipticity 0.2944516E-01 Gb(Abramov) 0.2041000E+00 Vb(Abramov) -0.2610373E+00 Hb(Abramov) -0.5693723E-01 Ex_ueg -0.5274084E-01 Ec_ueg -0.7688722E-02 Delta_ex -0.6174582E-01 Delta_ec 0.1486620E-01 Delta_et -0.1947676E+00 Pxc 0.6859506E+01 Qxc -0.4153438E+01 3,-1 72 3 -1 -0.053436 0.017457 -4.472996 Rho 0.2378548E+00 |GRAD(Rho)| 0.6149393E-15 GRAD(Rho)x 0.9191324E-16 GRAD(Rho)y -0.3643089E-17 GRAD(Rho)z 0.6080206E-15 Laplacian 0.8800042E+00 (-1/4)Del**2(Rho)) -0.2200011E+00 Diamond 0.3069440E+01 Metallicity 0.7150145E+01 Ellipticity 0.1426683E-02 Gb(Abramov) 0.4088406E+00 Vb(Abramov) -0.5976801E+00 Hb(Abramov) -0.1888395E+00 Ex_ueg -0.1088431E+00 Ec_ueg -0.1429095E-01 Delta_ex -0.1060227E+00 Delta_ec 0.1940104E-01 Delta_et -0.2682572E+00 Pxc 0.7616227E+01 Qxc -0.5464794E+01 3,-1 73 3 +1 -0.612555 -0.852939 -1.535248 Rho 0.9441512E-02 |GRAD(Rho)| 0.1476257E-16 GRAD(Rho)x -0.4669918E-17 GRAD(Rho)y -0.1240817E-17 GRAD(Rho)z 0.1394940E-16 Laplacian 0.4043929E-01 (-1/4)Del**2(Rho)) -0.1010982E-01 Diamond 0.1305925E-02 Metallicity 0.7186965E+00 Ellipticity -0.1446740E+01 Gb(Abramov) 0.7950865E-02 Vb(Abramov) -0.5791906E-02 Hb(Abramov) 0.2158959E-02 Ex_ueg -0.1473806E-02 Ec_ueg -0.3427872E-03 Delta_ex -0.1922340E-02 Delta_ec 0.6235863E-03 Delta_et -0.4322446E-02 Pxc 0.4299479E+01 Qxc -0.3082716E+01 3,+1 74 3 -1 0.472996 -0.037457 2.366976 Rho 0.3937612E-01 |GRAD(Rho)| 0.1292960E-15 GRAD(Rho)x 0.1856622E-16 GRAD(Rho)y -0.1763582E-17 GRAD(Rho)z -0.1279439E-15 Laplacian 0.1601344E+00 (-1/4)Del**2(Rho)) -0.4003360E-01 Diamond 0.6017339E-01 Metallicity 0.1961176E+01 Ellipticity 0.1260170E-01 Gb(Abramov) 0.3977456E-01 Vb(Abramov) -0.3951552E-01 Hb(Abramov) 0.2590416E-03 Ex_ueg -0.9893780E-02 Ec_ueg -0.1836643E-02 Delta_ex -0.1250746E-01 Delta_ec 0.4938752E-02 Delta_et -0.4889153E-01 Pxc 0.5386881E+01 Qxc -0.2532514E+01 3,-1 75 3 -1 -0.057969 -0.003641 4.487435 Rho 0.2277587E+00 |GRAD(Rho)| 0.1704290E-12 GRAD(Rho)x 0.3193791E-13 GRAD(Rho)y 0.2850116E-15 GRAD(Rho)z -0.1674095E-12 Laplacian 0.8237486E+00 (-1/4)Del**2(Rho)) -0.2059371E+00 Diamond 0.2745702E+01 Metallicity 0.7105752E+01 Ellipticity 0.4915232E-03 Gb(Abramov) 0.3811811E+00 Vb(Abramov) -0.5564252E+00 Hb(Abramov) -0.1752440E+00 Ex_ueg -0.1027271E+00 Ec_ueg -0.1359701E-01 Delta_ex -0.9823630E-01 Delta_ec 0.1858258E-01 Delta_et -0.2572795E+00 Pxc 0.7555122E+01 Qxc -0.5286474E+01 3,-1 76 3 -1 0.828714 0.727850 3.485544 Rho 0.1290136E+00 |GRAD(Rho)| 0.4445260E-15 GRAD(Rho)x -0.3572717E-15 GRAD(Rho)y -0.2477131E-15 GRAD(Rho)z -0.9272808E-16 Laplacian 0.5081666E+00 (-1/4)Del**2(Rho)) -0.1270416E+00 Diamond 0.8501365E+00 Metallicity 0.4466832E+01 Ellipticity 0.4681163E-01 Gb(Abramov) 0.1792734E+00 Vb(Abramov) -0.2315051E+00 Hb(Abramov) -0.5223174E-01 Ex_ueg -0.4814662E-01 Ec_ueg -0.7113947E-02 Delta_ex -0.5249616E-01 Delta_ec 0.1317668E-01 Delta_et -0.1710815E+00 Pxc 0.6767920E+01 Qxc -0.3984020E+01 3,-1 77 3 +1 -0.201696 -2.529808 -1.926295 Rho 0.3134764E-02 |GRAD(Rho)| 0.2936760E-17 GRAD(Rho)x -0.2358997E-17 GRAD(Rho)y 0.8551288E-18 GRAD(Rho)z -0.1525926E-17 Laplacian 0.1250047E-01 (-1/4)Del**2(Rho)) -0.3125119E-02 Diamond 0.1380639E-03 Metallicity 0.3701360E+00 Ellipticity -0.1558709E+01 Gb(Abramov) 0.2276199E-02 Vb(Abramov) -0.1427279E-02 Hb(Abramov) 0.8489197E-03 Ex_ueg -0.3388375E-03 Ec_ueg -0.6754891E-04 Delta_ex -0.5391782E-03 Delta_ec 0.3389519E-03 Delta_et -0.1621570E-02 Pxc 0.5016180E+01 Qxc -0.1590722E+01 3,+1 78 3 +1 -0.561935 0.793757 -1.569967 Rho 0.8974710E-02 |GRAD(Rho)| 0.1077787E-15 GRAD(Rho)x 0.3055136E-16 GRAD(Rho)y -0.9405175E-17 GRAD(Rho)z 0.1029291E-15 Laplacian 0.3754132E-01 (-1/4)Del**2(Rho)) -0.9385331E-02 Diamond 0.1087349E-02 Metallicity 0.7114389E+00 Ellipticity -0.1408615E+01 Gb(Abramov) 0.7369736E-02 Vb(Abramov) -0.5354140E-02 Hb(Abramov) 0.2015595E-02 Ex_ueg -0.1377460E-02 Ec_ueg -0.3217767E-03 Delta_ex -0.1743286E-02 Delta_ec 0.5454063E-03 Delta_et -0.3755138E-02 Pxc 0.4280795E+01 Qxc -0.3196307E+01 3,+1 79 3 +3 0.020178 1.634191 -1.621304 Rho 0.4453437E-02 |GRAD(Rho)| 0.8693637E-17 GRAD(Rho)x -0.7278097E-17 GRAD(Rho)y -0.1007288E-17 GRAD(Rho)z 0.4646934E-17 Laplacian 0.1860289E-01 (-1/4)Del**2(Rho)) -0.4650723E-02 Diamond 0.1536855E-03 Metallicity 0.4465378E+00 Ellipticity -0.3357676E+00 Gb(Abramov) 0.3446603E-02 Vb(Abramov) -0.2242482E-02 Hb(Abramov) 0.1204120E-02 Ex_ueg -0.5411431E-03 Ec_ueg -0.1234683E-03 Delta_ex -0.6688491E-03 Delta_ec 0.1647571E-03 Delta_et -0.1036277E-02 Pxc 0.4382850E+01 Qxc -0.4059607E+01 3,+3 80 3 -1 -0.416283 0.465268 -0.008442 Rho 0.1969004E+00 |GRAD(Rho)| 0.7053400E-12 GRAD(Rho)x 0.3803928E-12 GRAD(Rho)y -0.5933879E-12 GRAD(Rho)z 0.2639438E-13 Laplacian 0.6593167E+00 (-1/4)Del**2(Rho)) -0.1648292E+00 Diamond 0.2043811E+01 Metallicity 0.6965146E+01 Ellipticity 0.3497998E-02 Gb(Abramov) 0.3012293E+00 Vb(Abramov) -0.4376295E+00 Hb(Abramov) -0.1364002E+00 Ex_ueg -0.8460200E-01 Ec_ueg -0.1151086E-01 Delta_ex -0.7711787E-01 Delta_ec 0.1795582E-01 Delta_et -0.2545222E+00 Pxc 0.7349754E+01 Qxc -0.4294868E+01 3,-1 81 3 -1 -0.555893 0.711657 3.242583 Rho 0.1288468E+00 |GRAD(Rho)| 0.2171503E-15 GRAD(Rho)x -0.1668790E-15 GRAD(Rho)y -0.1158877E-15 GRAD(Rho)z -0.7665309E-16 Laplacian 0.5315764E+00 (-1/4)Del**2(Rho)) -0.1328941E+00 Diamond 0.8860205E+00 Metallicity 0.4260921E+01 Ellipticity 0.1371026E-01 Gb(Abramov) 0.1829713E+00 Vb(Abramov) -0.2330485E+00 Hb(Abramov) -0.5007718E-01 Ex_ueg -0.4806363E-01 Ec_ueg -0.7103492E-02 Delta_ex -0.5487419E-01 Delta_ec 0.1374663E-01 Delta_et -0.1783674E+00 Pxc 0.6766197E+01 Qxc -0.3991828E+01 3,-1 82 3 -1 -0.559809 0.715205 -3.211248 Rho 0.1434807E+00 |GRAD(Rho)| 0.7092260E-13 GRAD(Rho)x 0.4587922E-13 GRAD(Rho)y -0.4556404E-13 GRAD(Rho)z -0.2913812E-13 Laplacian 0.5999155E+00 (-1/4)Del**2(Rho)) -0.1499789E+00 Diamond 0.1150638E+01 Metallicity 0.4516952E+01 Ellipticity 0.1156337E-01 Gb(Abramov) 0.2128938E+00 Vb(Abramov) -0.2758087E+00 Hb(Abramov) -0.6291493E-01 Ex_ueg -0.5547657E-01 Ec_ueg -0.8027498E-02 Delta_ex -0.6370732E-01 Delta_ec 0.1535315E-01 Delta_et -0.2030094E+00 Pxc 0.6910817E+01 Qxc -0.4149464E+01 3,-1 83 3 +1 -0.128688 2.207367 -1.983266 Rho 0.5410919E-02 |GRAD(Rho)| 0.2103244E-13 GRAD(Rho)x 0.1995361E-13 GRAD(Rho)y -0.6268265E-14 GRAD(Rho)z 0.2219451E-14 Laplacian 0.2252017E-01 (-1/4)Del**2(Rho)) -0.5630042E-02 Diamond 0.5806518E-03 Metallicity 0.5103011E+00 Ellipticity -0.2988686E+01 Gb(Abramov) 0.4232198E-02 Vb(Abramov) -0.2834353E-02 Hb(Abramov) 0.1397845E-02 Ex_ueg -0.7015841E-03 Ec_ueg -0.1646389E-03 Delta_ex -0.1134165E-02 Delta_ec 0.7041255E-03 Delta_et -0.3917711E-02 Pxc 0.4261350E+01 Qxc -0.1610743E+01 3,+1 84 3 +1 -0.141406 2.230828 1.999186 Rho 0.5289701E-02 |GRAD(Rho)| 0.1721361E-15 GRAD(Rho)x -0.8473480E-16 GRAD(Rho)y 0.1482798E-15 GRAD(Rho)z 0.2153975E-16 Laplacian 0.2195067E-01 (-1/4)Del**2(Rho)) -0.5487668E-02 Diamond 0.5493286E-03 Metallicity 0.5041392E+00 Ellipticity -0.2856674E+01 Gb(Abramov) 0.4119537E-02 Vb(Abramov) -0.2751406E-02 Hb(Abramov) 0.1368131E-02 Ex_ueg -0.6807064E-03 Ec_ueg -0.1594010E-03 Delta_ex -0.1100900E-02 Delta_ec 0.6868529E-03 Delta_et -0.3795532E-02 Pxc 0.4270402E+01 Qxc -0.1602818E+01 3,+1 85 3 -1 0.565486 3.253680 -0.683416 Rho 0.1329162E+00 |GRAD(Rho)| 0.2121128E-15 GRAD(Rho)x -0.1633486E-15 GRAD(Rho)y 0.4763713E-17 GRAD(Rho)z -0.1352271E-15 Laplacian 0.5541331E+00 (-1/4)Del**2(Rho)) -0.1385333E+00 Diamond 0.9602027E+00 Metallicity 0.4304894E+01 Ellipticity 0.1746658E-01 Gb(Abramov) 0.1917507E+00 Vb(Abramov) -0.2449681E+00 Hb(Abramov) -0.5321742E-01 Ex_ueg -0.5009824E-01 Ec_ueg -0.7359048E-02 Delta_ex -0.5765188E-01 Delta_ec 0.1425263E-01 Delta_et -0.1858987E+00 Pxc 0.6807706E+01 Qxc -0.4045001E+01 3,-1 86 3 -1 0.562254 3.259349 0.677330 Rho 0.1295249E+00 |GRAD(Rho)| 0.2709786E-16 GRAD(Rho)x -0.9283481E-17 GRAD(Rho)y 0.2247009E-16 GRAD(Rho)z -0.1196688E-16 Laplacian 0.5378192E+00 (-1/4)Del**2(Rho)) -0.1344548E+00 Diamond 0.9057025E+00 Metallicity 0.4248467E+01 Ellipticity 0.1447339E-01 Gb(Abramov) 0.1848410E+00 Vb(Abramov) -0.2352272E+00 Hb(Abramov) -0.5038619E-01 Ex_ueg -0.4840119E-01 Ec_ueg -0.7145999E-02 Delta_ex -0.5563282E-01 Delta_ec 0.1396850E-01 Delta_et -0.1815451E+00 Pxc 0.6773187E+01 Qxc -0.3982733E+01 3,-1 87 3 +1 -2.134129 1.704861 0.180693 Rho 0.2362701E-01 |GRAD(Rho)| 0.2278406E-16 GRAD(Rho)x 0.1688001E-16 GRAD(Rho)y -0.1475627E-16 GRAD(Rho)z 0.4053542E-17 Laplacian 0.9121805E-01 (-1/4)Del**2(Rho)) -0.2280451E-01 Diamond 0.1085903E-01 Metallicity 0.1469649E+01 Ellipticity -0.3265958E+01 Gb(Abramov) 0.2078878E-01 Vb(Abramov) -0.1877305E-01 Hb(Abramov) 0.2015731E-02 Ex_ueg -0.5007221E-02 Ec_ueg -0.1019838E-02 Delta_ex -0.5567521E-02 Delta_ec 0.1510489E-02 Delta_et -0.1315974E-01 Pxc 0.4909821E+01 Qxc -0.3685907E+01 3,+1 88 3 +1 0.530193 1.537924 -0.842351 Rho 0.7752155E-02 |GRAD(Rho)| 0.1773605E-16 GRAD(Rho)x -0.9202517E-17 GRAD(Rho)y -0.1411431E-16 GRAD(Rho)z 0.5537821E-17 Laplacian 0.3208398E-01 (-1/4)Del**2(Rho)) -0.8020995E-02 Diamond 0.8103853E-03 Metallicity 0.6521722E+00 Ellipticity -0.1430403E+01 Gb(Abramov) 0.6219175E-02 Vb(Abramov) -0.4417355E-02 Hb(Abramov) 0.1801820E-02 Ex_ueg -0.1133135E-02 Ec_ueg -0.2672063E-03 Delta_ex -0.1461501E-02 Delta_ec 0.5114834E-03 Delta_et -0.3353388E-02 Pxc 0.4240674E+01 Qxc -0.2857378E+01 3,+1 89 3 +3 1.117242 1.511875 -0.002622 Rho 0.4253561E-02 |GRAD(Rho)| 0.6686085E-17 GRAD(Rho)x 0.1123073E-17 GRAD(Rho)y 0.6581349E-19 GRAD(Rho)z 0.6590759E-17 Laplacian 0.1733990E-01 (-1/4)Del**2(Rho)) -0.4334974E-02 Diamond 0.1104584E-03 Metallicity 0.4437664E+00 Ellipticity -0.1535143E+00 Gb(Abramov) 0.3210602E-02 Vb(Abramov) -0.2086230E-02 Hb(Abramov) 0.1124372E-02 Ex_ueg -0.5090048E-03 Ec_ueg -0.1149333E-03 Delta_ex -0.5883515E-03 Delta_ec 0.1039242E-03 Delta_et -0.7189570E-03 Pxc 0.4428699E+01 Qxc -0.5661351E+01 3,+3 90 3 +1 0.530194 1.544506 0.826249 Rho 0.7613738E-02 |GRAD(Rho)| 0.9340473E-16 GRAD(Rho)x -0.1622472E-16 GRAD(Rho)y 0.9072272E-16 GRAD(Rho)z -0.1518515E-16 Laplacian 0.3141513E-01 (-1/4)Del**2(Rho)) -0.7853783E-02 Diamond 0.7718114E-03 Metallicity 0.6463545E+00 Ellipticity -0.1423418E+01 Gb(Abramov) 0.6081910E-02 Vb(Abramov) -0.4310037E-02 Hb(Abramov) 0.1771873E-02 Ex_ueg -0.1106239E-02 Ec_ueg -0.2610705E-03 Delta_ex -0.1423416E-02 Delta_ec 0.4984601E-03 Delta_et -0.3254088E-02 Pxc 0.4237320E+01 Qxc -0.2855626E+01 3,+1 91 3 +3 0.012967 1.619118 1.626765 Rho 0.4228014E-02 |GRAD(Rho)| 0.2354277E-15 GRAD(Rho)x -0.2268021E-15 GRAD(Rho)y -0.2180559E-16 GRAD(Rho)z -0.5925834E-16 Laplacian 0.1749542E-01 (-1/4)Del**2(Rho)) -0.4373855E-02 Diamond 0.1323557E-03 Metallicity 0.4354278E+00 Ellipticity -0.3626703E+00 Gb(Abramov) 0.3233319E-02 Vb(Abramov) -0.2092784E-02 Hb(Abramov) 0.1140535E-02 Ex_ueg -0.5049328E-03 Ec_ueg -0.1138439E-03 Delta_ex -0.6180081E-03 Delta_ec 0.1500893E-03 Delta_et -0.9395021E-03 Pxc 0.4435310E+01 Qxc -0.4117604E+01 3,+3 92 3 +1 1.778223 2.527663 0.004681 Rho 0.1238486E-01 |GRAD(Rho)| 0.6163476E-16 GRAD(Rho)x -0.5500784E-17 GRAD(Rho)y 0.2642873E-17 GRAD(Rho)z 0.6133188E-16 Laplacian 0.6204549E-01 (-1/4)Del**2(Rho)) -0.1551137E-01 Diamond 0.2561000E-02 Metallicity 0.7363004E+00 Ellipticity -0.1246152E+01 Gb(Abramov) 0.1224442E-01 Vb(Abramov) -0.8977467E-02 Hb(Abramov) 0.3266952E-02 Ex_ueg -0.2116281E-02 Ec_ueg -0.4773647E-03 Delta_ex -0.3065590E-02 Delta_ec 0.7879379E-03 Delta_et -0.5967097E-02 Pxc 0.4433259E+01 Qxc -0.3890650E+01 3,+1 93 3 -1 1.831539 2.373135 -1.557964 Rho 0.1343768E+00 |GRAD(Rho)| 0.1982057E-12 GRAD(Rho)x 0.1247100E-12 GRAD(Rho)y -0.1396141E-12 GRAD(Rho)z -0.6512144E-13 Laplacian 0.5658200E+00 (-1/4)Del**2(Rho)) -0.1414550E+00 Diamond 0.1002922E+01 Metallicity 0.4293473E+01 Ellipticity 0.1107389E-01 Gb(Abramov) 0.1955255E+00 Vb(Abramov) -0.2495961E+00 Hb(Abramov) -0.5407053E-01 Ex_ueg -0.5083359E-01 Ec_ueg -0.7451036E-02 Delta_ex -0.5913391E-01 Delta_ec 0.1471056E-01 Delta_et -0.1925859E+00 Pxc 0.6822352E+01 Qxc -0.4019826E+01 3,-1 94 3 -1 1.816835 2.384439 1.563673 Rho 0.1394838E+00 |GRAD(Rho)| 0.7056801E-12 GRAD(Rho)x -0.5142163E-12 GRAD(Rho)y 0.4322201E-12 GRAD(Rho)z -0.2162216E-12 Laplacian 0.5876609E+00 (-1/4)Del**2(Rho)) -0.1469152E+00 Diamond 0.1088470E+01 Metallicity 0.4399052E+01 Ellipticity 0.1072302E-01 Gb(Abramov) 0.2056581E+00 Vb(Abramov) -0.2644010E+00 Hb(Abramov) -0.5874287E-01 Ex_ueg -0.5342566E-01 Ec_ueg -0.7773759E-02 Delta_ex -0.6196565E-01 Delta_ec 0.1512316E-01 Delta_et -0.1990889E+00 Pxc 0.6872564E+01 Qxc -0.4097401E+01 3,-1 95 3 -1 1.688328 0.815189 -1.554635 Rho 0.3051524E-01 |GRAD(Rho)| 0.1072295E-14 GRAD(Rho)x 0.7519337E-15 GRAD(Rho)y 0.7239437E-15 GRAD(Rho)z -0.2455976E-15 Laplacian 0.1142578E+00 (-1/4)Del**2(Rho)) -0.2856445E-01 Diamond 0.2821293E-01 Metallicity 0.1797168E+01 Ellipticity 0.4681459E-01 Gb(Abramov) 0.2759881E-01 Vb(Abramov) -0.2663318E-01 Hb(Abramov) 0.9656313E-03 Ex_ueg -0.7042725E-02 Ec_ueg -0.1370214E-02 Delta_ex -0.8208892E-02 Delta_ec 0.3209237E-02 Delta_et -0.2962424E-01 Pxc 0.5139871E+01 Qxc -0.2557895E+01 3,-1 96 3 +1 1.700247 0.771031 -0.025852 Rho 0.6721873E-02 |GRAD(Rho)| 0.3028918E-15 GRAD(Rho)x -0.2127929E-15 GRAD(Rho)y -0.1491787E-15 GRAD(Rho)z 0.1555903E-15 Laplacian 0.2693929E-01 (-1/4)Del**2(Rho)) -0.6734822E-02 Diamond 0.5593695E-03 Metallicity 0.6124127E+00 Ellipticity -0.1407060E+01 Gb(Abramov) 0.5177296E-02 Vb(Abramov) -0.3619771E-02 Hb(Abramov) 0.1557525E-02 Ex_ueg -0.9369263E-03 Ec_ueg -0.2217483E-03 Delta_ex -0.1184494E-02 Delta_ec 0.4279954E-03 Delta_et -0.2702081E-02 Pxc 0.4225179E+01 Qxc -0.2767538E+01 3,+1 97 3 -1 1.687720 0.820414 1.538148 Rho 0.3139917E-01 |GRAD(Rho)| 0.6078295E-13 GRAD(Rho)x -0.1841888E-13 GRAD(Rho)y 0.5767121E-13 GRAD(Rho)z -0.5417034E-14 Laplacian 0.1181197E+00 (-1/4)Del**2(Rho)) -0.2952992E-01 Diamond 0.3048053E-01 Metallicity 0.1823145E+01 Ellipticity 0.6596424E-01 Gb(Abramov) 0.2865950E-01 Vb(Abramov) -0.2778908E-01 Hb(Abramov) 0.8704192E-03 Ex_ueg -0.7316038E-02 Ec_ueg -0.1416001E-02 Delta_ex -0.8558886E-02 Delta_ec 0.3339851E-02 Delta_et -0.3107129E-01 Pxc 0.5166688E+01 Qxc -0.2562655E+01 3,-1 98 3 +1 2.030166 0.036682 2.866324 Rho 0.1224783E-01 |GRAD(Rho)| 0.5073941E-14 GRAD(Rho)x -0.3706195E-14 GRAD(Rho)y -0.1213794E-14 GRAD(Rho)z 0.3245873E-14 Laplacian 0.5756260E-01 (-1/4)Del**2(Rho)) -0.1439065E-01 Diamond 0.2084310E-02 Metallicity 0.7790608E+00 Ellipticity -0.1214590E+01 Gb(Abramov) 0.1146230E-01 Vb(Abramov) -0.8533948E-02 Hb(Abramov) 0.2928352E-02 Ex_ueg -0.2085118E-02 Ec_ueg -0.4710218E-03 Delta_ex -0.2763829E-02 Delta_ec 0.6026555E-03 Delta_et -0.4651366E-02 Pxc 0.4426797E+01 Qxc -0.4586084E+01 3,+1 99 3 -1 1.992265 1.544124 -2.692107 Rho 0.1384222E+00 |GRAD(Rho)| 0.5672212E-15 GRAD(Rho)x 0.2960414E-15 GRAD(Rho)y -0.1251915E-16 GRAD(Rho)z 0.4836761E-15 Laplacian 0.5464213E+00 (-1/4)Del**2(Rho)) -0.1366053E+00 Diamond 0.1010415E+01 Metallicity 0.4671201E+01 Ellipticity 0.2709975E-01 Gb(Abramov) 0.1974220E+00 Vb(Abramov) -0.2582387E+00 Hb(Abramov) -0.6081671E-01 Ex_ueg -0.5288422E-01 Ec_ueg -0.7706540E-02 Delta_ex -0.5759407E-01 Delta_ec 0.1423802E-01 Delta_et -0.1875288E+00 Pxc 0.6862252E+01 Qxc -0.4045089E+01 3,-1 100 3 -1 1.977071 1.548977 2.701410 Rho 0.1411399E+00 |GRAD(Rho)| 0.4878349E-13 GRAD(Rho)x 0.3870453E-13 GRAD(Rho)y 0.2968074E-13 GRAD(Rho)z -0.9177907E-15 Laplacian 0.5579295E+00 (-1/4)Del**2(Rho)) -0.1394824E+00 Diamond 0.1056202E+01 Metallicity 0.4725525E+01 Ellipticity 0.3217907E-01 Gb(Abramov) 0.2028428E+00 Vb(Abramov) -0.2662032E+00 Hb(Abramov) -0.6336044E-01 Ex_ueg -0.5427311E-01 Ec_ueg -0.7878773E-02 Delta_ex -0.5908708E-01 Delta_ec 0.1447188E-01 Delta_et -0.1911799E+00 Pxc 0.6888523E+01 Qxc -0.4082889E+01 3,-1 101 3 +1 3.019372 0.066819 -0.068495 Rho 0.4751901E-02 |GRAD(Rho)| 0.1602676E-16 GRAD(Rho)x -0.4608253E-18 GRAD(Rho)y 0.1590638E-16 GRAD(Rho)z 0.1905686E-17 Laplacian 0.1918400E-01 (-1/4)Del**2(Rho)) -0.4796001E-02 Diamond 0.4632671E-03 Metallicity 0.4824507E+00 Ellipticity -0.8201798E+01 Gb(Abramov) 0.3582973E-02 Vb(Abramov) -0.2369945E-02 Hb(Abramov) 0.1213028E-02 Ex_ueg -0.5900311E-03 Ec_ueg -0.1362518E-03 Delta_ex -0.9897159E-03 Delta_ec 0.6847717E-03 Delta_et -0.3629657E-02 Pxc 0.4330448E+01 Qxc -0.1445322E+01 3,+1 102 3 +3 2.335319 0.059003 -0.037227 Rho 0.3833573E-02 |GRAD(Rho)| 0.8617947E-17 GRAD(Rho)x -0.3645021E-17 GRAD(Rho)y -0.7064987E-17 GRAD(Rho)z -0.3326980E-17 Laplacian 0.1585712E-01 (-1/4)Del**2(Rho)) -0.3964281E-02 Diamond 0.1092411E-03 Metallicity 0.4080641E+00 Ellipticity -0.3057337E+00 Gb(Abramov) 0.2912467E-02 Vb(Abramov) -0.1860654E-02 Hb(Abramov) 0.1051814E-02 Ex_ueg -0.4431221E-03 Ec_ueg -0.9706730E-04 Delta_ex -0.5518664E-03 Delta_ec 0.1459499E-03 Delta_et -0.8775440E-03 Pxc 0.4565102E+01 Qxc -0.3781204E+01 3,+3 103 3 +1 1.230023 0.695546 2.263261 Rho 0.2178885E-01 |GRAD(Rho)| 0.3853912E-10 GRAD(Rho)x 0.2945109E-10 GRAD(Rho)y 0.2387129E-10 GRAD(Rho)z -0.6932447E-11 Laplacian 0.8332128E-01 (-1/4)Del**2(Rho)) -0.2083032E-01 Diamond 0.9564876E-02 Metallicity 0.1405770E+01 Ellipticity -0.4563523E+01 Gb(Abramov) 0.1876732E-01 Vb(Abramov) -0.1670432E-01 Hb(Abramov) 0.2062999E-02 Ex_ueg -0.4494667E-02 Ec_ueg -0.9284380E-03 Delta_ex -0.5067282E-02 Delta_ec 0.1540919E-02 Delta_et -0.1310669E-01 Pxc 0.4841106E+01 Qxc -0.3288481E+01 3,+1 104 3 +1 2.113006 -0.290575 -1.685504 Rho 0.2006679E-01 |GRAD(Rho)| 0.1268319E-14 GRAD(Rho)x 0.4877437E-15 GRAD(Rho)y -0.1148837E-14 GRAD(Rho)z -0.2256365E-15 Laplacian 0.7550922E-01 (-1/4)Del**2(Rho)) -0.1887731E-01 Diamond 0.6803537E-02 Metallicity 0.1352311E+01 Ellipticity -0.2449175E+01 Gb(Abramov) 0.1683953E-01 Vb(Abramov) -0.1480176E-01 Hb(Abramov) 0.2037772E-02 Ex_ueg -0.4027378E-02 Ec_ueg -0.8436956E-03 Delta_ex -0.4358221E-02 Delta_ec 0.1152445E-02 Delta_et -0.9679677E-02 Pxc 0.4773496E+01 Qxc -0.3781717E+01 3,+1 105 3 -1 2.830611 1.738366 -0.869909 Rho 0.1412889E+00 |GRAD(Rho)| 0.7683907E-15 GRAD(Rho)x -0.1491930E-15 GRAD(Rho)y 0.3388839E-16 GRAD(Rho)z -0.7530055E-15 Laplacian 0.5914642E+00 (-1/4)Del**2(Rho)) -0.1478661E+00 Diamond 0.1119531E+01 Metallicity 0.4465442E+01 Ellipticity 0.1531530E-01 Gb(Abramov) 0.2086253E+00 Vb(Abramov) -0.2693845E+00 Hb(Abramov) -0.6075921E-01 Ex_ueg -0.5434950E-01 Ec_ueg -0.7888228E-02 Delta_ex -0.6263766E-01 Delta_ec 0.1530746E-01 Delta_et -0.2021868E+00 Pxc 0.6889951E+01 Qxc -0.4091971E+01 3,-1 106 3 -1 2.818881 1.743206 0.878930 Rho 0.1397425E+00 |GRAD(Rho)| 0.6156895E-16 GRAD(Rho)x -0.4210770E-16 GRAD(Rho)y -0.3882587E-17 GRAD(Rho)z -0.4475044E-16 Laplacian 0.5865031E+00 (-1/4)Del**2(Rho)) -0.1466258E+00 Diamond 0.1095522E+01 Metallicity 0.4421374E+01 Ellipticity 0.1337329E-01 Gb(Abramov) 0.2057984E+00 Vb(Abramov) -0.2649710E+00 Hb(Abramov) -0.5917263E-01 Ex_ueg -0.5355786E-01 Ec_ueg -0.7790157E-02 Delta_ex -0.6194568E-01 Delta_ec 0.1521898E-01 Delta_et -0.2006824E+00 Pxc 0.6875068E+01 Qxc -0.4070290E+01 3,-1 107 3 -1 3.224672 2.344077 -2.230559 Rho 0.2374185E+00 |GRAD(Rho)| 0.3381997E-13 GRAD(Rho)x -0.2283839E-13 GRAD(Rho)y -0.2156391E-13 GRAD(Rho)z 0.1253777E-13 Laplacian 0.8535489E+00 (-1/4)Del**2(Rho)) -0.2133872E+00 Diamond 0.2992033E+01 Metallicity 0.7349239E+01 Ellipticity 0.7978592E-02 Gb(Abramov) 0.4036305E+00 Vb(Abramov) -0.5938737E+00 Hb(Abramov) -0.1902432E+00 Ex_ueg -0.1085770E+00 Ec_ueg -0.1426085E-01 Delta_ex -0.1029018E+00 Delta_ec 0.1903472E-01 Delta_et -0.2640800E+00 Pxc 0.7613644E+01 Qxc -0.5406007E+01 3,-1 108 3 -1 3.202267 2.349769 2.241787 Rho 0.2376336E+00 |GRAD(Rho)| 0.1348188E-13 GRAD(Rho)x 0.1012732E-13 GRAD(Rho)y 0.5770232E-14 GRAD(Rho)z -0.6775179E-14 Laplacian 0.8553533E+00 (-1/4)Del**2(Rho)) -0.2138383E+00 Diamond 0.3001055E+01 Metallicity 0.7344812E+01 Ellipticity 0.6963816E-02 Gb(Abramov) 0.4043259E+00 Vb(Abramov) -0.5948135E+00 Hb(Abramov) -0.1904876E+00 Ex_ueg -0.1087082E+00 Ec_ueg -0.1427568E-01 Delta_ex -0.1031406E+00 Delta_ec 0.1906437E-01 Delta_et -0.2644769E+00 Pxc 0.7614918E+01 Qxc -0.5410125E+01 3,-1 109 3 +1 -1.257506 2.292586 0.710409 Rho 0.2260319E-01 |GRAD(Rho)| 0.6720403E-15 GRAD(Rho)x -0.4698828E-15 GRAD(Rho)y 0.1945496E-15 GRAD(Rho)z 0.4393162E-15 Laplacian 0.8945577E-01 (-1/4)Del**2(Rho)) -0.2236394E-01 Diamond 0.1133042E-01 Metallicity 0.1391942E+01 Ellipticity -0.6192593E+01 Gb(Abramov) 0.2009751E-01 Vb(Abramov) -0.1783109E-01 Hb(Abramov) 0.2266429E-02 Ex_ueg -0.4720031E-02 Ec_ueg -0.9688126E-03 Delta_ex -0.5558703E-02 Delta_ec 0.1772100E-02 Delta_et -0.1518279E-01 Pxc 0.4871975E+01 Qxc -0.3136788E+01 3,+1 110 3 -1 -1.711497 1.521022 0.857867 Rho 0.3681211E-01 |GRAD(Rho)| 0.1559346E-13 GRAD(Rho)x -0.1755487E-14 GRAD(Rho)y 0.1534707E-13 GRAD(Rho)z 0.2131106E-14 Laplacian 0.1487184E+00 (-1/4)Del**2(Rho)) -0.3717959E-01 Diamond 0.5089031E-01 Metallicity 0.1887556E+01 Ellipticity 0.1932672E-01 Gb(Abramov) 0.3648282E-01 Vb(Abramov) -0.3578605E-01 Hb(Abramov) 0.6967715E-03 Ex_ueg -0.9044253E-02 Ec_ueg -0.1700048E-02 Delta_ex -0.1141887E-01 Delta_ec 0.4576193E-02 Delta_et -0.4447565E-01 Pxc 0.5319998E+01 Qxc -0.2495277E+01 3,-1 111 3 -1 -2.111341 -2.918456 1.688040 Rho 0.2328928E+00 |GRAD(Rho)| 0.4486613E-15 GRAD(Rho)x -0.2504507E-15 GRAD(Rho)y -0.3720982E-15 GRAD(Rho)z 0.1069464E-16 Laplacian 0.8913649E+00 (-1/4)Del**2(Rho)) -0.2228412E+00 Diamond 0.3006565E+01 Metallicity 0.6815291E+01 Ellipticity 0.9720274E-02 Gb(Abramov) 0.4016821E+00 Vb(Abramov) -0.5805230E+00 Hb(Abramov) -0.1788409E+00 Ex_ueg -0.1058262E+00 Ec_ueg -0.1394920E-01 Delta_ex -0.1066662E+00 Delta_ec 0.1953041E-01 Delta_et -0.2687947E+00 Pxc 0.7586543E+01 Qxc -0.5461545E+01 3,-1 112 3 +1 -0.272488 -2.556933 1.173656 Rho 0.3043803E-02 |GRAD(Rho)| 0.1065727E-14 GRAD(Rho)x -0.1026041E-14 GRAD(Rho)y 0.3720809E-16 GRAD(Rho)z -0.2857071E-15 Laplacian 0.1208724E-01 (-1/4)Del**2(Rho)) -0.3021811E-02 Diamond 0.1068118E-03 Metallicity 0.3644573E+00 Ellipticity -0.1309705E+01 Gb(Abramov) 0.2198094E-02 Vb(Abramov) -0.1374377E-02 Hb(Abramov) 0.8237168E-03 Ex_ueg -0.3257920E-03 Ec_ueg -0.6372609E-04 Delta_ex -0.4797368E-03 Delta_ec 0.2586058E-03 Delta_et -0.1259673E-02 Pxc 0.5112380E+01 Qxc -0.1855089E+01 3,+1 113 3 +1 -0.214389 -2.512150 1.927277 Rho 0.3132398E-02 |GRAD(Rho)| 0.1879986E-10 GRAD(Rho)x 0.1693733E-10 GRAD(Rho)y -0.6704945E-11 GRAD(Rho)z -0.4648155E-11 Laplacian 0.1233228E-01 (-1/4)Del**2(Rho)) -0.3083070E-02 Diamond 0.1345825E-03 Metallicity 0.3747123E+00 Ellipticity -0.1558611E+01 Gb(Abramov) 0.2247924E-02 Vb(Abramov) -0.1412778E-02 Hb(Abramov) 0.8351459E-03 Ex_ueg -0.3384965E-03 Ec_ueg -0.6744941E-04 Delta_ex -0.5292736E-03 Delta_ec 0.3297960E-03 Delta_et -0.1579626E-02 Pxc 0.5018525E+01 Qxc -0.1604852E+01 3,+1 114 3 -1 -0.830193 3.526634 -0.714177 Rho 0.1432290E+00 |GRAD(Rho)| 0.3718094E-13 GRAD(Rho)x 0.3636737E-13 GRAD(Rho)y -0.6903273E-14 GRAD(Rho)z -0.3490277E-14 Laplacian 0.5613612E+00 (-1/4)Del**2(Rho)) -0.1403403E+00 Diamond 0.1066339E+01 Metallicity 0.4813072E+01 Ellipticity 0.5160155E-01 Gb(Abramov) 0.2061382E+00 Vb(Abramov) -0.2719361E+00 Hb(Abramov) -0.6579790E-01 Ex_ueg -0.5534686E-01 Ec_ueg -0.8011491E-02 Delta_ex -0.5950187E-01 Delta_ec 0.1421974E-01 Delta_et -0.1876442E+00 Pxc 0.6908435E+01 Qxc -0.4184454E+01 3,-1 115 3 +3 -0.177129 -2.228001 -1.500568 Rho 0.2852109E-02 |GRAD(Rho)| 0.9638983E-16 GRAD(Rho)x -0.6276643E-16 GRAD(Rho)y 0.6034946E-16 GRAD(Rho)z 0.4134390E-16 Laplacian 0.1149845E-01 (-1/4)Del**2(Rho)) -0.2874613E-02 Diamond 0.8005968E-04 Metallicity 0.3437562E+00 Ellipticity -0.6857975E+00 Gb(Abramov) 0.2081103E-02 Vb(Abramov) -0.1287593E-02 Hb(Abramov) 0.7935101E-03 Ex_ueg -0.2987261E-03 Ec_ueg -0.5568465E-04 Delta_ex -0.4247733E-03 Delta_ec 0.2002752E-03 Delta_et -0.9851599E-03 Pxc 0.5364605E+01 Qxc -0.2120948E+01 3,+3 116 3 +3 -0.194921 -2.229787 1.516120 Rho 0.2884315E-02 |GRAD(Rho)| 0.5311696E-17 GRAD(Rho)x 0.3660898E-18 GRAD(Rho)y 0.4036430E-17 GRAD(Rho)z -0.3433267E-17 Laplacian 0.1151040E-01 (-1/4)Del**2(Rho)) -0.2877601E-02 Diamond 0.8108374E-04 Metallicity 0.3498863E+00 Ellipticity -0.6730187E+00 Gb(Abramov) 0.2086206E-02 Vb(Abramov) -0.1294811E-02 Hb(Abramov) 0.7913947E-03 Ex_ueg -0.3032321E-03 Ec_ueg -0.5703424E-04 Delta_ex -0.4257011E-03 Delta_ec 0.1995239E-03 Delta_et -0.9853152E-03 Pxc 0.5316668E+01 Qxc -0.2133584E+01 3,+3 117 3 +1 2.050946 0.023316 -2.853446 Rho 0.1211766E-01 |GRAD(Rho)| 0.1835378E-15 GRAD(Rho)x -0.1203343E-15 GRAD(Rho)y -0.1646052E-16 GRAD(Rho)z 0.1376039E-15 Laplacian 0.5648656E-01 (-1/4)Del**2(Rho)) -0.1412164E-01 Diamond 0.2016843E-02 Metallicity 0.7798893E+00 Ellipticity -0.1217892E+01 Gb(Abramov) 0.1124998E-01 Vb(Abramov) -0.8378318E-02 Hb(Abramov) 0.2871660E-02 Ex_ueg -0.2055624E-02 Ec_ueg -0.4650036E-03 Delta_ex -0.2704688E-02 Delta_ec 0.5920869E-03 Delta_et -0.4558139E-02 Pxc 0.4420663E+01 Qxc -0.4568059E+01 3,+1 118 3 +3 1.851363 -0.002035 -2.544536 Rho 0.1153943E-01 |GRAD(Rho)| 0.1703587E-16 GRAD(Rho)x -0.1251648E-16 GRAD(Rho)y -0.6805218E-17 GRAD(Rho)z -0.9340651E-17 Laplacian 0.5197802E-01 (-1/4)Del**2(Rho)) -0.1299450E-01 Diamond 0.1049653E-02 Metallicity 0.7812097E+00 Ellipticity -0.4698022E+00 Gb(Abramov) 0.1035491E-01 Vb(Abramov) -0.7715312E-02 Hb(Abramov) 0.2639596E-02 Ex_ueg -0.1925888E-02 Ec_ueg -0.4383496E-03 Delta_ex -0.2247337E-02 Delta_ec 0.1722390E-03 Delta_et -0.1673154E-02 Pxc 0.4393498E+01 Qxc -0.1304778E+02 3,+3 119 3 +1 2.110760 -0.189372 1.659648 Rho 0.2219791E-01 |GRAD(Rho)| 0.3145943E-14 GRAD(Rho)x 0.1231114E-14 GRAD(Rho)y -0.2840073E-14 GRAD(Rho)z 0.5615148E-15 Laplacian 0.8597677E-01 (-1/4)Del**2(Rho)) -0.2149419E-01 Diamond 0.9843914E-02 Metallicity 0.1405245E+01 Ellipticity -0.3659363E+01 Gb(Abramov) 0.1936356E-01 Vb(Abramov) -0.1723294E-01 Hb(Abramov) 0.2130629E-02 Ex_ueg -0.4607526E-02 Ec_ueg -0.9486951E-03 Delta_ex -0.5218469E-02 Delta_ec 0.1526176E-02 Delta_et -0.1306143E-01 Pxc 0.4856698E+01 Qxc -0.3419310E+01 3,+1 120 3 +3 1.811871 0.018833 2.547313 Rho 0.1156664E-01 |GRAD(Rho)| 0.1061603E-16 GRAD(Rho)x -0.6391527E-17 GRAD(Rho)y 0.5972114E-17 GRAD(Rho)z -0.6015167E-17 Laplacian 0.5240953E-01 (-1/4)Del**2(Rho)) -0.1310238E-01 Diamond 0.1028375E-02 Metallicity 0.7778246E+00 Ellipticity -0.4496462E+00 Gb(Abramov) 0.1043348E-01 Vb(Abramov) -0.7764579E-02 Hb(Abramov) 0.2668902E-02 Ex_ueg -0.1931945E-02 Ec_ueg -0.4396008E-03 Delta_ex -0.2257408E-02 Delta_ec 0.1555184E-03 Delta_et -0.1566661E-02 Pxc 0.4394771E+01 Qxc -0.1451538E+02 3,+3 121 3 +1 1.334501 0.759164 -2.186258 Rho 0.2284483E-01 |GRAD(Rho)| 0.6288677E-13 GRAD(Rho)x 0.5125041E-13 GRAD(Rho)y 0.3218652E-13 GRAD(Rho)z 0.1709297E-13 Laplacian 0.8533412E-01 (-1/4)Del**2(Rho)) -0.2133353E-01 Diamond 0.9208430E-02 Metallicity 0.1485264E+01 Ellipticity -0.2865298E+01 Gb(Abramov) 0.1950334E-01 Vb(Abramov) -0.1767315E-01 Hb(Abramov) 0.1830188E-02 Ex_ueg -0.4787429E-02 Ec_ueg -0.9808291E-03 Delta_ex -0.5101790E-02 Delta_ec 0.1305874E-02 Delta_et -0.1131566E-01 Pxc 0.4881002E+01 Qxc -0.3906800E+01 3,+1 122 3 -1 2.969040 -0.830462 -1.986926 Rho 0.7595971E-01 |GRAD(Rho)| 0.3981583E-13 GRAD(Rho)x -0.5837115E-14 GRAD(Rho)y -0.3935421E-13 GRAD(Rho)z 0.1573053E-14 Laplacian 0.3093716E+00 (-1/4)Del**2(Rho)) -0.7734289E-01 Diamond 0.2734403E+00 Metallicity 0.3034624E+01 Ellipticity 0.1421740E-02 Gb(Abramov) 0.9067969E-01 Vb(Abramov) -0.1040165E+00 Hb(Abramov) -0.1333680E-01 Ex_ueg -0.2375907E-01 Ec_ueg -0.3893502E-02 Delta_ex -0.2825197E-01 Delta_ec 0.9035338E-02 Delta_et -0.1057363E+00 Pxc 0.6102237E+01 Qxc -0.3126830E+01 3,-1 123 3 -1 2.798552 -1.726195 -0.878702 Rho 0.1283387E+00 |GRAD(Rho)| 0.3454022E-15 GRAD(Rho)x 0.9774760E-16 GRAD(Rho)y 0.3631738E-16 GRAD(Rho)z 0.3292858E-15 Laplacian 0.5195596E+00 (-1/4)Del**2(Rho)) -0.1298899E+00 Diamond 0.8707574E+00 Metallicity 0.4330854E+01 Ellipticity 0.7851811E-02 Gb(Abramov) 0.1803490E+00 Vb(Abramov) -0.2308081E+00 Hb(Abramov) -0.5045908E-01 Ex_ueg -0.4781106E-01 Ec_ueg -0.7071659E-02 Delta_ex -0.5369128E-01 Delta_ec 0.1364282E-01 Delta_et -0.1772695E+00 Pxc 0.6760940E+01 Qxc -0.3935498E+01 3,-1 124 3 -1 2.959091 -0.813150 1.969849 Rho 0.8707324E-01 |GRAD(Rho)| 0.2659455E-13 GRAD(Rho)x -0.1006551E-13 GRAD(Rho)y 0.2382666E-13 GRAD(Rho)z -0.6184359E-14 Laplacian 0.3541450E+00 (-1/4)Del**2(Rho)) -0.8853626E-01 Diamond 0.3699552E+00 Metallicity 0.3328433E+01 Ellipticity 0.1200518E-02 Gb(Abramov) 0.1081387E+00 Vb(Abramov) -0.1277411E+00 Hb(Abramov) -0.1960242E-01 Ex_ueg -0.2850349E-01 Ec_ueg -0.4548893E-02 Delta_ex -0.3337254E-01 Delta_ec 0.1007645E-01 Delta_et -0.1215440E+00 Pxc 0.6266027E+01 Qxc -0.3311934E+01 3,-1 125 3 -1 1.444195 -3.054146 -0.006559 Rho 0.7809740E-02 |GRAD(Rho)| 0.1390691E-16 GRAD(Rho)x -0.9441801E-18 GRAD(Rho)y -0.1232713E-17 GRAD(Rho)z 0.1381996E-16 Laplacian 0.3217956E-01 (-1/4)Del**2(Rho)) -0.8044890E-02 Diamond 0.1798481E-02 Metallicity 0.6583053E+00 Ellipticity 0.4807514E+00 Gb(Abramov) 0.6245926E-02 Vb(Abramov) -0.4446961E-02 Hb(Abramov) 0.1798964E-02 Ex_ueg -0.1144372E-02 Ec_ueg -0.2697616E-03 Delta_ex -0.1969347E-02 Delta_ec 0.1407197E-02 Delta_et -0.8585016E-02 Pxc 0.4242160E+01 Qxc -0.1399483E+01 3,-1 126 3 +1 1.687450 -0.788017 -0.036766 Rho 0.8124206E-02 |GRAD(Rho)| 0.1695277E-16 GRAD(Rho)x -0.7734734E-17 GRAD(Rho)y 0.8833091E-17 GRAD(Rho)z 0.1222893E-16 Laplacian 0.3425038E-01 (-1/4)Del**2(Rho)) -0.8562595E-02 Diamond 0.9054349E-03 Metallicity 0.6605656E+00 Ellipticity -0.1409141E+01 Gb(Abramov) 0.6651089E-02 Vb(Abramov) -0.4739584E-02 Hb(Abramov) 0.1911506E-02 Ex_ueg -0.1206219E-02 Ec_ueg -0.2837423E-03 Delta_ex -0.1570188E-02 Delta_ec 0.5316311E-03 Delta_et -0.3539753E-02 Pxc 0.4251109E+01 Qxc -0.2953529E+01 3,+1 127 3 -1 -3.222444 -2.188715 -2.304361 Rho 0.2302348E+00 |GRAD(Rho)| 0.1193324E-13 GRAD(Rho)x 0.9078025E-14 GRAD(Rho)y 0.1831976E-14 GRAD(Rho)z 0.7525664E-14 Laplacian 0.8488425E+00 (-1/4)Del**2(Rho)) -0.2122106E+00 Diamond 0.2857685E+01 Metallicity 0.7021087E+01 Ellipticity 0.2114839E-01 Gb(Abramov) 0.3897986E+00 Vb(Abramov) -0.5673866E+00 Hb(Abramov) -0.1775880E+00 Ex_ueg -0.1042189E+00 Ec_ueg -0.1376669E-01 Delta_ex -0.1014644E+00 Delta_ec 0.1900138E-01 Delta_et -0.2628524E+00 Pxc 0.7570367E+01 Qxc -0.5339841E+01 3,-1 128 3 -1 -2.965972 -2.096980 -0.800030 Rho 0.1388386E+00 |GRAD(Rho)| 0.9493203E-15 GRAD(Rho)x 0.3814223E-15 GRAD(Rho)y 0.3461485E-16 GRAD(Rho)z -0.8686357E-15 Laplacian 0.5359850E+00 (-1/4)Del**2(Rho)) -0.1339963E+00 Diamond 0.1004882E+01 Metallicity 0.4786052E+01 Ellipticity 0.3592878E-01 Gb(Abramov) 0.1962163E+00 Vb(Abramov) -0.2584364E+00 Hb(Abramov) -0.6222008E-01 Ex_ueg -0.5309642E-01 Ec_ueg -0.7732896E-02 Delta_ex -0.5664774E-01 Delta_ec 0.1415670E-01 Delta_et -0.1869543E+00 Pxc 0.6866305E+01 Qxc -0.4001478E+01 3,-1 129 3 -1 -2.969628 -2.098180 0.784483 Rho 0.1433465E+00 |GRAD(Rho)| 0.1244984E-12 GRAD(Rho)x 0.8054530E-13 GRAD(Rho)y -0.8456635E-13 GRAD(Rho)z 0.4313748E-13 Laplacian 0.5542937E+00 (-1/4)Del**2(Rho)) -0.1385734E+00 Diamond 0.1077674E+01 Metallicity 0.4881107E+01 Ellipticity 0.4245464E-01 Gb(Abramov) 0.2051142E+00 Vb(Abramov) -0.2716550E+00 Hb(Abramov) -0.6654080E-01 Ex_ueg -0.5540740E-01 Ec_ueg -0.8018963E-02 Delta_ex -0.5901558E-01 Delta_ec 0.1448609E-01 Delta_et -0.1921615E+00 Pxc 0.6909547E+01 Qxc -0.4073948E+01 3,-1 130 3 -1 -3.235029 -2.176000 2.280229 Rho 0.2299684E+00 |GRAD(Rho)| 0.4137199E-15 GRAD(Rho)x -0.1285864E-15 GRAD(Rho)y -0.2330222E-15 GRAD(Rho)z 0.3167497E-15 Laplacian 0.8489751E+00 (-1/4)Del**2(Rho)) -0.2122438E+00 Diamond 0.2853801E+01 Metallicity 0.7006457E+01 Ellipticity 0.2106456E-01 Gb(Abramov) 0.3893420E+00 Vb(Abramov) -0.5664402E+00 Hb(Abramov) -0.1770982E+00 Ex_ueg -0.1040581E+00 Ec_ueg -0.1374841E-01 Delta_ex -0.1014477E+00 Delta_ec 0.1900721E-01 Delta_et -0.2629044E+00 Pxc 0.7568735E+01 Qxc -0.5337327E+01 3,-1 131 3 -1 -2.759548 -0.923426 1.653206 Rho 0.7176606E-01 |GRAD(Rho)| 0.4323773E-15 GRAD(Rho)x -0.9557412E-16 GRAD(Rho)y 0.4207551E-15 GRAD(Rho)z -0.2794298E-16 Laplacian 0.2985966E+00 (-1/4)Del**2(Rho)) -0.7464914E-01 Diamond 0.2481576E+00 Metallicity 0.2860181E+01 Ellipticity 0.4095377E-02 Gb(Abramov) 0.8535111E-01 Vb(Abramov) -0.9605307E-01 Hb(Abramov) -0.1070197E-01 Ex_ueg -0.2202642E-01 Ec_ueg -0.3649348E-02 Delta_ex -0.2697162E-01 Delta_ec 0.8907989E-02 Delta_et -0.1029505E+00 Pxc 0.6035713E+01 Qxc -0.3027801E+01 3,-1 132 3 -1 -1.806918 1.564911 -2.352376 Rho 0.1370644E+00 |GRAD(Rho)| 0.2595793E-15 GRAD(Rho)x -0.2453821E-15 GRAD(Rho)y 0.5901448E-16 GRAD(Rho)z -0.6071532E-16 Laplacian 0.5690936E+00 (-1/4)Del**2(Rho)) -0.1422734E+00 Diamond 0.1042232E+01 Metallicity 0.4412019E+01 Ellipticity 0.9132431E-02 Gb(Abramov) 0.1994678E+00 Vb(Abramov) -0.2566621E+00 Hb(Abramov) -0.5719436E-01 Ex_ueg -0.5219370E-01 Ec_ueg -0.7620666E-02 Delta_ex -0.5986611E-01 Delta_ec 0.1490994E-01 Delta_et -0.1961708E+00 Pxc 0.6848968E+01 Qxc -0.4015182E+01 3,-1 133 3 -1 -1.708307 1.510250 -0.838002 Rho 0.4331746E-01 |GRAD(Rho)| 0.1174822E-15 GRAD(Rho)x -0.1011781E-17 GRAD(Rho)y -0.1407737E-16 GRAD(Rho)z 0.1166314E-15 Laplacian 0.1693829E+00 (-1/4)Del**2(Rho)) -0.4234574E-01 Diamond 0.7003821E-01 Metallicity 0.2173611E+01 Ellipticity 0.1710396E-01 Gb(Abramov) 0.4357102E-01 Vb(Abramov) -0.4479630E-01 Hb(Abramov) -0.1225282E-02 Ex_ueg -0.1123576E-01 Ec_ueg -0.2048962E-02 Delta_ex -0.1341831E-01 Delta_ec 0.4995230E-02 Delta_et -0.5070644E-01 Pxc 0.5483636E+01 Qxc -0.2686225E+01 3,-1 134 3 -1 -1.809344 1.582114 2.388033 Rho 0.1350818E+00 |GRAD(Rho)| 0.1917925E-11 GRAD(Rho)x -0.3788579E-12 GRAD(Rho)y 0.2055270E-12 GRAD(Rho)z -0.1868867E-11 Laplacian 0.5547770E+00 (-1/4)Del**2(Rho)) -0.1386942E+00 Diamond 0.9848400E+00 Metallicity 0.4417292E+01 Ellipticity 0.1556306E-01 Gb(Abramov) 0.1945717E+00 Vb(Abramov) -0.2504491E+00 Hb(Abramov) -0.5587742E-01 Ex_ueg -0.5118949E-01 Ec_ueg -0.7495486E-02 Delta_ex -0.5799945E-01 Delta_ec 0.1430895E-01 Delta_et -0.1872906E+00 Pxc 0.6829376E+01 Qxc -0.4053370E+01 3,-1 135 3 -1 -1.976747 2.690704 -1.504131 Rho 0.1198415E+00 |GRAD(Rho)| 0.7806279E-15 GRAD(Rho)x 0.4153850E-15 GRAD(Rho)y 0.6466859E-15 GRAD(Rho)z 0.1365011E-15 Laplacian 0.4791176E+00 (-1/4)Del**2(Rho)) -0.1197794E+00 Diamond 0.7414964E+00 Metallicity 0.4189702E+01 Ellipticity 0.1720550E-01 Gb(Abramov) 0.1634929E+00 Vb(Abramov) -0.2072064E+00 Hb(Abramov) -0.4371352E-01 Ex_ueg -0.4363765E-01 Ec_ueg -0.6541925E-02 Delta_ex -0.4873225E-01 Delta_ec 0.1283372E-01 Delta_et -0.1649194E+00 Pxc 0.6670460E+01 Qxc -0.3797203E+01 3,-1 136 3 -1 -1.974525 2.697608 1.518416 Rho 0.1095492E+00 |GRAD(Rho)| 0.2617332E-15 GRAD(Rho)x -0.1616376E-15 GRAD(Rho)y -0.1822408E-15 GRAD(Rho)z 0.9573844E-16 Laplacian 0.4343382E+00 (-1/4)Del**2(Rho)) -0.1085846E+00 Diamond 0.5973016E+00 Metallicity 0.3979240E+01 Ellipticity 0.2327451E-01 Gb(Abramov) 0.1444037E+00 Vb(Abramov) -0.1802229E+00 Hb(Abramov) -0.3581915E-01 Ex_ueg -0.3871362E-01 Ec_ueg -0.5907050E-02 Delta_ex -0.4315572E-01 Delta_ec 0.1171372E-01 Delta_et -0.1478707E+00 Pxc 0.6553799E+01 Qxc -0.3684204E+01 3,-1 137 3 +1 -2.011106 2.917586 0.004843 Rho 0.1237577E-01 |GRAD(Rho)| 0.3055949E-11 GRAD(Rho)x -0.2851819E-11 GRAD(Rho)y -0.1097893E-11 GRAD(Rho)z 0.2419480E-13 Laplacian 0.5807966E-01 (-1/4)Del**2(Rho)) -0.1451991E-01 Diamond 0.2075873E-02 Metallicity 0.7856146E+00 Ellipticity -0.1192117E+01 Gb(Abramov) 0.1158112E-01 Vb(Abramov) -0.8642324E-02 Hb(Abramov) 0.2938795E-02 Ex_ueg -0.2114210E-02 Ec_ueg -0.4769436E-03 Delta_ex -0.2780609E-02 Delta_ec 0.5796093E-03 Delta_et -0.4510633E-02 Pxc 0.4432830E+01 Qxc -0.4797385E+01 3,+1 138 3 -1 -0.826195 3.534092 0.696180 Rho 0.1456279E+00 |GRAD(Rho)| 0.1514445E-15 GRAD(Rho)x -0.3344764E-16 GRAD(Rho)y 0.5553487E-16 GRAD(Rho)z -0.1368670E-15 Laplacian 0.5691657E+00 (-1/4)Del**2(Rho)) -0.1422914E+00 Diamond 0.1103281E+01 Metallicity 0.4880323E+01 Ellipticity 0.5204109E-01 Gb(Abramov) 0.2105990E+00 Vb(Abramov) -0.2789065E+00 Hb(Abramov) -0.6830753E-01 Ex_ueg -0.5658626E-01 Ec_ueg -0.8164224E-02 Delta_ex -0.6057876E-01 Delta_ec 0.1436446E-01 Delta_et -0.1900163E+00 Pxc 0.6931003E+01 Qxc -0.4217268E+01 3,-1 139 3 +1 1.268397 -0.750364 2.260420 Rho 0.2473948E-01 |GRAD(Rho)| 0.1307178E-16 GRAD(Rho)x -0.5825649E-17 GRAD(Rho)y -0.1127864E-16 GRAD(Rho)z -0.3118556E-17 Laplacian 0.9917322E-01 (-1/4)Del**2(Rho)) -0.2479331E-01 Diamond 0.1410463E-01 Metallicity 0.1459496E+01 Ellipticity -0.6738806E+01 Gb(Abramov) 0.2255983E-01 Vb(Abramov) -0.2032635E-01 Hb(Abramov) 0.2233478E-02 Ex_ueg -0.5324014E-02 Ec_ueg -0.1075606E-02 Delta_ex -0.6296138E-02 Delta_ec 0.1942365E-02 Delta_et -0.1703963E-01 Pxc 0.4949779E+01 Qxc -0.3241480E+01 3,+1 140 3 -1 0.841175 0.740691 -3.468889 Rho 0.1406909E+00 |GRAD(Rho)| 0.7284224E-16 GRAD(Rho)x -0.3794708E-18 GRAD(Rho)y -0.4656648E-16 GRAD(Rho)z -0.5601259E-16 Laplacian 0.5585738E+00 (-1/4)Del**2(Rho)) -0.1396435E+00 Diamond 0.1049449E+01 Metallicity 0.4695074E+01 Ellipticity 0.3919034E-01 Gb(Abramov) 0.2023684E+00 Vb(Abramov) -0.2650933E+00 Hb(Abramov) -0.6272491E-01 Ex_ueg -0.5404302E-01 Ec_ueg -0.7850285E-02 Delta_ex -0.5906679E-01 Delta_ec 0.1442364E-01 Delta_et -0.1902921E+00 Pxc 0.6884211E+01 Qxc -0.4095137E+01 3,-1 141 3 -1 3.259078 -2.296016 2.203125 Rho 0.2302029E+00 |GRAD(Rho)| 0.1467061E-13 GRAD(Rho)x -0.1140125E-13 GRAD(Rho)y 0.7103747E-14 GRAD(Rho)z -0.5897030E-14 Laplacian 0.8415956E+00 (-1/4)Del**2(Rho)) -0.2103989E+00 Diamond 0.2838652E+01 Metallicity 0.7079908E+01 Ellipticity 0.1707480E-01 Gb(Abramov) 0.3885334E+00 Vb(Abramov) -0.5666679E+00 Hb(Abramov) -0.1781345E+00 Ex_ueg -0.1041996E+00 Ec_ueg -0.1376450E-01 Delta_ex -0.1006273E+00 Delta_ec 0.1889857E-01 Delta_et -0.2616737E+00 Pxc 0.7570172E+01 Qxc -0.5324602E+01 3,-1 142 3 -1 3.251321 -2.321300 -2.229243 Rho 0.2197254E+00 |GRAD(Rho)| 0.8841409E-15 GRAD(Rho)x 0.7168203E-15 GRAD(Rho)y -0.2459513E-15 GRAD(Rho)z -0.4553920E-15 Laplacian 0.7937975E+00 (-1/4)Del**2(Rho)) -0.1984494E+00 Diamond 0.2538928E+01 Metallicity 0.6945507E+01 Ellipticity 0.1581628E-01 Gb(Abramov) 0.3620215E+00 Vb(Abramov) -0.5255936E+00 Hb(Abramov) -0.1635721E+00 Ex_ueg -0.9792467E-01 Ec_ueg -0.1304886E-01 Delta_ex -0.9381814E-01 Delta_ec 0.1814446E-01 Delta_et -0.2509275E+00 Pxc 0.7504462E+01 Qxc -0.5170623E+01 3,-1 143 3 -1 -2.989897 2.043716 -0.787465 Rho 0.1447584E+00 |GRAD(Rho)| 0.3566680E-15 GRAD(Rho)x 0.8063754E-16 GRAD(Rho)y -0.1211122E-15 GRAD(Rho)z -0.3256401E-15 Laplacian 0.5696992E+00 (-1/4)Del**2(Rho)) -0.1424248E+00 Diamond 0.1112225E+01 Metallicity 0.4827334E+01 Ellipticity 0.4141638E-01 Gb(Abramov) 0.2095385E+00 Vb(Abramov) -0.2766523E+00 Hb(Abramov) -0.6711375E-01 Ex_ueg -0.5613627E-01 Ec_ueg -0.8108827E-02 Delta_ex -0.6071180E-01 Delta_ec 0.1469436E-01 Delta_et -0.1948701E+00 Pxc 0.6922860E+01 Qxc -0.4131639E+01 3,-1 144 3 -1 -2.980831 2.047903 0.822032 Rho 0.1229763E+00 |GRAD(Rho)| 0.2238434E-15 GRAD(Rho)x -0.4891107E-16 GRAD(Rho)y 0.2667307E-16 GRAD(Rho)z 0.2167998E-15 Laplacian 0.4805133E+00 (-1/4)Del**2(Rho)) -0.1201283E+00 Diamond 0.7626462E+00 Metallicity 0.4361241E+01 Ellipticity 0.3986289E-01 Gb(Abramov) 0.1674037E+00 Vb(Abramov) -0.2146790E+00 Hb(Abramov) -0.4727533E-01 Ex_ueg -0.4516621E-01 Ec_ueg -0.6736782E-02 Delta_ex -0.4911867E-01 Delta_ec 0.1269011E-01 Delta_et -0.1636255E+00 Pxc 0.6704419E+01 Qxc -0.3870625E+01 3,-1 145 3 -1 0.870695 -0.673151 -3.495335 Rho 0.1490163E+00 |GRAD(Rho)| 0.3123915E-15 GRAD(Rho)x -0.2865275E-15 GRAD(Rho)y 0.1199670E-15 GRAD(Rho)z 0.3314101E-16 Laplacian 0.5949674E+00 (-1/4)Del**2(Rho)) -0.1487418E+00 Diamond 0.1193680E+01 Metallicity 0.4851133E+01 Ellipticity 0.5859555E-01 Gb(Abramov) 0.2194223E+00 Vb(Abramov) -0.2901027E+00 Hb(Abramov) -0.7068045E-01 Ex_ueg -0.5834857E-01 Ec_ueg -0.8380575E-02 Delta_ex -0.6376524E-01 Delta_ec 0.1507495E-01 Delta_et -0.2003893E+00 Pxc 0.6962359E+01 Qxc -0.4229880E+01 3,-1 146 3 +1 1.393176 -0.851552 -2.173978 Rho 0.2402086E-01 |GRAD(Rho)| 0.4647991E-16 GRAD(Rho)x 0.3775138E-16 GRAD(Rho)y -0.9777756E-17 GRAD(Rho)z -0.2529051E-16 Laplacian 0.9342947E-01 (-1/4)Del**2(Rho)) -0.2335737E-01 Diamond 0.1044070E-01 Metallicity 0.1474948E+01 Ellipticity -0.2417690E+01 Gb(Abramov) 0.2131340E-01 Vb(Abramov) -0.1926942E-01 Hb(Abramov) 0.2043971E-02 Ex_ueg -0.5118818E-02 Ec_ueg -0.1039543E-02 Delta_ex -0.5620341E-02 Delta_ec 0.1355346E-02 Delta_et -0.1190689E-01 Pxc 0.4924104E+01 Qxc -0.4146794E+01 3,+1 147 3 -1 1.654448 -0.956135 -1.544358 Rho 0.3303090E-01 |GRAD(Rho)| 0.5052882E-16 GRAD(Rho)x -0.2661356E-16 GRAD(Rho)y -0.3994025E-16 GRAD(Rho)z -0.1580050E-16 Laplacian 0.1310857E+00 (-1/4)Del**2(Rho)) -0.3277141E-01 Diamond 0.3912158E-01 Metallicity 0.1787552E+01 Ellipticity 0.4355051E-01 Gb(Abramov) 0.3161105E-01 Vb(Abramov) -0.3045068E-01 Hb(Abramov) 0.1160369E-02 Ex_ueg -0.7827306E-02 Ec_ueg -0.1500978E-02 Delta_ex -0.9833574E-02 Delta_ec 0.4090736E-02 Delta_et -0.3858668E-01 Pxc 0.5214803E+01 Qxc -0.2403864E+01 3,-1 148 3 -1 0.861733 -0.672999 3.496064 Rho 0.1420763E+00 |GRAD(Rho)| 0.3586031E-15 GRAD(Rho)x 0.2083837E-15 GRAD(Rho)y -0.2902545E-15 GRAD(Rho)z 0.3041018E-16 Laplacian 0.5675007E+00 (-1/4)Del**2(Rho)) -0.1418752E+00 Diamond 0.1060754E+01 Metallicity 0.4697314E+01 Ellipticity 0.7427619E-01 Gb(Abramov) 0.2056555E+00 Vb(Abramov) -0.2694358E+00 Hb(Abramov) -0.6378033E-01 Ex_ueg -0.5475377E-01 Ec_ueg -0.7938230E-02 Delta_ex -0.5996056E-01 Delta_ec 0.1427324E-01 Delta_et -0.1878483E+00 Pxc 0.6897478E+01 Qxc -0.4200909E+01 3,-1 149 3 -1 1.661155 -0.939833 1.503026 Rho 0.3793516E-01 |GRAD(Rho)| 0.6933610E-16 GRAD(Rho)x -0.2192121E-16 GRAD(Rho)y 0.6228127E-16 GRAD(Rho)z -0.2116598E-16 Laplacian 0.1445591E+00 (-1/4)Del**2(Rho)) -0.3613977E-01 Diamond 0.5027366E-01 Metallicity 0.2041601E+01 Ellipticity 0.1869061E-01 Gb(Abramov) 0.3639035E-01 Vb(Abramov) -0.3664092E-01 Hb(Abramov) -0.2505775E-03 Ex_ueg -0.9414001E-02 Ec_ueg -0.1759723E-02 Delta_ex -0.1110325E-01 Delta_ec 0.4307791E-02 Delta_et -0.4220200E-01 Pxc 0.5349705E+01 Qxc -0.2577480E+01 3,-1 150 3 +3 -1.807619 2.603307 0.013321 Rho 0.1175878E-01 |GRAD(Rho)| 0.8718192E-13 GRAD(Rho)x 0.8292467E-13 GRAD(Rho)y 0.2689574E-13 GRAD(Rho)z -0.8971073E-15 Laplacian 0.5294981E-01 (-1/4)Del**2(Rho)) -0.1323745E-01 Diamond 0.1042355E-02 Metallicity 0.7913207E+00 Ellipticity -0.5296516E+00 Gb(Abramov) 0.1057081E-01 Vb(Abramov) -0.7904174E-02 Hb(Abramov) 0.2666639E-02 Ex_ueg -0.1974853E-02 Ec_ueg -0.4484449E-03 Delta_ex -0.2285654E-02 Delta_ec 0.1460052E-03 Delta_et -0.1509774E-02 Pxc 0.4403780E+01 Qxc -0.1565461E+02 3,+3 151 3 -1 -0.504590 2.397010 -0.008966 Rho 0.3453585E-01 |GRAD(Rho)| 0.8345798E-16 GRAD(Rho)x 0.2889039E-16 GRAD(Rho)y 0.7820570E-16 GRAD(Rho)z 0.3800915E-17 Laplacian 0.1415305E+00 (-1/4)Del**2(Rho)) -0.3538262E-01 Diamond 0.4439664E-01 Metallicity 0.1783255E+01 Ellipticity 0.1168930E-01 Gb(Abramov) 0.3410445E-01 Vb(Abramov) -0.3282629E-01 Hb(Abramov) 0.1278167E-02 Ex_ueg -0.8306384E-02 Ec_ueg -0.1579858E-02 Delta_ex -0.1069845E-01 Delta_ec 0.4355362E-02 Delta_et -0.4159249E-01 Pxc 0.5257676E+01 Qxc -0.2456386E+01 3,-1 152 3 -1 2.801748 -1.711325 0.843348 Rho 0.1450805E+00 |GRAD(Rho)| 0.8528703E-15 GRAD(Rho)x -0.1537331E-15 GRAD(Rho)y -0.7065271E-16 GRAD(Rho)z 0.8359199E-15 Laplacian 0.5907476E+00 (-1/4)Del**2(Rho)) -0.1476869E+00 Diamond 0.1157772E+01 Metallicity 0.4672612E+01 Ellipticity 0.9940830E-02 Gb(Abramov) 0.2134719E+00 Vb(Abramov) -0.2792568E+00 Hb(Abramov) -0.6578496E-01 Ex_ueg -0.5630287E-01 Ec_ueg -0.8129344E-02 Delta_ex -0.6300336E-01 Delta_ec 0.1525446E-01 Delta_et -0.2024194E+00 Pxc 0.6925881E+01 Qxc -0.4130161E+01 3,-1 153 3 -1 3.016545 0.854669 -1.998061 Rho 0.1840728E+00 |GRAD(Rho)| 0.2634334E-15 GRAD(Rho)x 0.4336809E-18 GRAD(Rho)y -0.2619975E-15 GRAD(Rho)z -0.2746420E-16 Laplacian 0.7230071E+00 (-1/4)Del**2(Rho)) -0.1807518E+00 Diamond 0.1859640E+01 Metallicity 0.5677016E+01 Ellipticity 0.4720095E-01 Gb(Abramov) 0.2915230E+00 Vb(Abramov) -0.4022942E+00 Hb(Abramov) -0.1107712E+00 Ex_ueg -0.7733415E-01 Ec_ueg -0.1065930E-01 Delta_ex -0.8160106E-01 Delta_ec 0.1721828E-01 Delta_et -0.2343516E+00 Pxc 0.7255090E+01 Qxc -0.4739211E+01 3,-1 154 3 -1 2.990695 0.857832 2.000234 Rho 0.1776891E+00 |GRAD(Rho)| 0.3511925E-15 GRAD(Rho)x -0.3123858E-15 GRAD(Rho)y 0.1565588E-15 GRAD(Rho)z 0.3522302E-16 Laplacian 0.6996408E+00 (-1/4)Del**2(Rho)) -0.1749102E+00 Diamond 0.1728442E+01 Metallicity 0.5531453E+01 Ellipticity 0.4286491E-01 Gb(Abramov) 0.2778580E+00 Vb(Abramov) -0.3808059E+00 Hb(Abramov) -0.1029478E+00 Ex_ueg -0.7377898E-01 Ec_ueg -0.1023899E-01 Delta_ex -0.7829227E-01 Delta_ec 0.1686947E-01 Delta_et -0.2289398E+00 Pxc 0.7205688E+01 Qxc -0.4641063E+01 3,-1 155 3 -1 -2.793522 0.906971 1.679964 Rho 0.1821370E+00 |GRAD(Rho)| 0.7230908E-13 GRAD(Rho)x 0.6371111E-14 GRAD(Rho)y 0.6915031E-13 GRAD(Rho)z 0.2015558E-13 Laplacian 0.7384881E+00 (-1/4)Del**2(Rho)) -0.1846220E+00 Diamond 0.1847939E+01 Metallicity 0.5460928E+01 Ellipticity 0.2755733E-01 Gb(Abramov) 0.2911159E+00 Vb(Abramov) -0.3976099E+00 Hb(Abramov) -0.1064939E+00 Ex_ueg -0.7625163E-01 Ec_ueg -0.1053159E-01 Delta_ex -0.8291403E-01 Delta_ec 0.1725827E-01 Delta_et -0.2334923E+00 Pxc 0.7240276E+01 Qxc -0.4804307E+01 3,-1 156 3 -1 -2.797026 0.876741 -1.646010 Rho 0.1905439E+00 |GRAD(Rho)| 0.1426220E-15 GRAD(Rho)x 0.2101997E-16 GRAD(Rho)y -0.1344411E-15 GRAD(Rho)z 0.4271757E-16 Laplacian 0.7784832E+00 (-1/4)Del**2(Rho)) -0.1946208E+00 Diamond 0.2073322E+01 Metallicity 0.5584989E+01 Ellipticity 0.2283555E-01 Gb(Abramov) 0.3109064E+00 Vb(Abramov) -0.4271920E+00 Hb(Abramov) -0.1162856E+00 Ex_ueg -0.8098013E-01 Ec_ueg -0.1108772E-01 Delta_ex -0.8853470E-01 Delta_ec 0.1818919E-01 Delta_et -0.2477832E+00 Pxc 0.7303588E+01 Qxc -0.4867436E+01 3,-1 157 3 -1 -2.102587 -2.915726 -1.685451 Rho 0.2316740E+00 |GRAD(Rho)| 0.7737704E-13 GRAD(Rho)x -0.6714085E-13 GRAD(Rho)y 0.4879018E-14 GRAD(Rho)z -0.3815112E-13 Laplacian 0.8923733E+00 (-1/4)Del**2(Rho)) -0.2230933E+00 Diamond 0.2985715E+01 Metallicity 0.6748318E+01 Ellipticity 0.1214277E-01 Gb(Abramov) 0.3996463E+00 Vb(Abramov) -0.5761993E+00 Hb(Abramov) -0.1765530E+00 Ex_ueg -0.1050884E+00 Ec_ueg -0.1386546E-01 Delta_ex -0.1066112E+00 Delta_ec 0.1952989E-01 Delta_et -0.2685108E+00 Pxc 0.7579150E+01 Qxc -0.5458873E+01 3,-1 158 3 -1 -2.755677 -0.936310 -1.653513 Rho 0.7657471E-01 |GRAD(Rho)| 0.3382476E-14 GRAD(Rho)x -0.9148727E-15 GRAD(Rho)y -0.3222283E-14 GRAD(Rho)z -0.4701573E-15 Laplacian 0.3212071E+00 (-1/4)Del**2(Rho)) -0.8030177E-01 Diamond 0.2895424E+00 Metallicity 0.2962354E+01 Ellipticity 0.5836706E-02 Gb(Abramov) 0.9318156E-01 Vb(Abramov) -0.1060614E+00 Hb(Abramov) -0.1287979E-01 Ex_ueg -0.2401590E-01 Ec_ueg -0.3929459E-02 Delta_ex -0.2945569E-01 Delta_ec 0.9489816E-02 Delta_et -0.1113526E+00 Pxc 0.6111758E+01 Qxc -0.3103926E+01 3,-1 159 3 -1 0.463635 -0.029833 -2.362576 Rho 0.4872027E-01 |GRAD(Rho)| 0.1042004E-15 GRAD(Rho)x -0.3451236E-16 GRAD(Rho)y 0.1606874E-17 GRAD(Rho)z -0.9830580E-16 Laplacian 0.1937135E+00 (-1/4)Del**2(Rho)) -0.4842837E-01 Diamond 0.9465832E-01 Metallicity 0.2311902E+01 Ellipticity 0.1232920E-01 Gb(Abramov) 0.5094586E-01 Vb(Abramov) -0.5346334E-01 Hb(Abramov) -0.2517486E-02 Ex_ueg -0.1314210E-01 Ec_ueg -0.2344258E-02 Delta_ex -0.1583516E-01 Delta_ec 0.5761909E-02 Delta_et -0.6034450E-01 Pxc 0.5606079E+01 Qxc -0.2748249E+01 3,-1 160 3 -1 0.304146 -0.071516 0.500470 Rho 0.1979189E+00 |GRAD(Rho)| 0.3257920E-15 GRAD(Rho)x 0.1838364E-15 GRAD(Rho)y -0.2634572E-17 GRAD(Rho)z 0.2689566E-15 Laplacian 0.6623594E+00 (-1/4)Del**2(Rho)) -0.1655898E+00 Diamond 0.2079988E+01 Metallicity 0.6993025E+01 Ellipticity 0.5358988E-02 Gb(Abramov) 0.3033889E+00 Vb(Abramov) -0.4411879E+00 Hb(Abramov) -0.1377990E+00 Ex_ueg -0.8518600E-01 Ec_ueg -0.1157887E-01 Delta_ex -0.7766915E-01 Delta_ec 0.1818687E-01 Delta_et -0.2584752E+00 Pxc 0.7357020E+01 Qxc -0.4270617E+01 3,-1 161 3 +1 1.711892 -2.782968 -0.010257 Rho 0.7390395E-02 |GRAD(Rho)| 0.7386132E-17 GRAD(Rho)x 0.2099920E-17 GRAD(Rho)y 0.1573337E-17 GRAD(Rho)z 0.6904338E-17 Laplacian 0.3345070E-01 (-1/4)Del**2(Rho)) -0.8362674E-02 Diamond 0.1108762E-02 Metallicity 0.5776357E+00 Ellipticity -0.1823933E+01 Gb(Abramov) 0.6380213E-02 Vb(Abramov) -0.4397751E-02 Hb(Abramov) 0.1982461E-02 Ex_ueg -0.1063184E-02 Ec_ueg -0.2511885E-03 Delta_ex -0.1680870E-02 Delta_ec 0.8453669E-03 Delta_et -0.5238906E-02 Pxc 0.4232616E+01 Qxc -0.1988331E+01 3,+1 162 3 -1 1.898977 -2.532341 1.645534 Rho 0.2347517E+00 |GRAD(Rho)| 0.3344976E-15 GRAD(Rho)x -0.2996193E-15 GRAD(Rho)y -0.1159012E-15 GRAD(Rho)z -0.9318718E-16 Laplacian 0.9021985E+00 (-1/4)Del**2(Rho)) -0.2255496E+00 Diamond 0.3076265E+01 Metallicity 0.6823267E+01 Ellipticity 0.1352253E-01 Gb(Abramov) 0.4068640E+00 Vb(Abramov) -0.5881783E+00 Hb(Abramov) -0.1813143E+00 Ex_ueg -0.1069539E+00 Ec_ueg -0.1407707E-01 Delta_ex -0.1082084E+00 Delta_ec 0.1975959E-01 Delta_et -0.2721883E+00 Pxc 0.7597742E+01 Qxc -0.5476245E+01 3,-1 163 3 -1 1.995435 -1.543217 -2.704161 Rho 0.1188120E+00 |GRAD(Rho)| 0.1877192E-11 GRAD(Rho)x -0.1381077E-11 GRAD(Rho)y 0.1268463E-11 GRAD(Rho)z -0.8646698E-13 Laplacian 0.4551946E+00 (-1/4)Del**2(Rho)) -0.1137987E+00 Diamond 0.7006944E+00 Metallicity 0.4346938E+01 Ellipticity 0.2643220E-01 Gb(Abramov) 0.1583117E+00 Vb(Abramov) -0.2028248E+00 Hb(Abramov) -0.4451306E-01 Ex_ueg -0.4313856E-01 Ec_ueg -0.6478083E-02 Delta_ex -0.4625137E-01 Delta_ec 0.1230222E-01 Delta_et -0.1579881E+00 Pxc 0.6659155E+01 Qxc -0.3759595E+01 3,-1 164 3 -1 1.991097 -1.528470 2.681814 Rho 0.1236584E+00 |GRAD(Rho)| 0.1900375E-15 GRAD(Rho)x -0.1105005E-15 GRAD(Rho)y 0.3488082E-16 GRAD(Rho)z 0.1506228E-15 Laplacian 0.4806571E+00 (-1/4)Del**2(Rho)) -0.1201643E+00 Diamond 0.7843393E+00 Metallicity 0.4400317E+01 Ellipticity 0.2168878E-01 Gb(Abramov) 0.1682363E+00 Vb(Abramov) -0.2163084E+00 Hb(Abramov) -0.4807205E-01 Ex_ueg -0.4550055E-01 Ec_ueg -0.6779271E-02 Delta_ex -0.4940961E-01 Delta_ec 0.1305411E-01 Delta_et -0.1691311E+00 Pxc 0.6711717E+01 Qxc -0.3784986E+01 3,-1 165 3 -1 -0.458896 -0.570305 -0.004372 Rho 0.2033577E+00 |GRAD(Rho)| 0.2676086E-15 GRAD(Rho)x -0.1662279E-15 GRAD(Rho)y 0.2097096E-15 GRAD(Rho)z 0.2136180E-17 Laplacian 0.7245453E+00 (-1/4)Del**2(Rho)) -0.1811363E+00 Diamond 0.2311818E+01 Metallicity 0.6688296E+01 Ellipticity 0.3655530E-01 Gb(Abramov) 0.3226731E+00 Vb(Abramov) -0.4642099E+00 Hb(Abramov) -0.1415368E+00 Ex_ueg -0.8832142E-01 Ec_ueg -0.1194303E-01 Delta_ex -0.8527690E-01 Delta_ec 0.1929826E-01 Delta_et -0.2738411E+00 Pxc 0.7395226E+01 Qxc -0.4418891E+01 3,-1 166 3 -1 0.293300 -0.071202 -0.524924 Rho 0.1967531E+00 |GRAD(Rho)| 0.4470290E-11 GRAD(Rho)x -0.2585297E-11 GRAD(Rho)y 0.6891367E-13 GRAD(Rho)z 0.3646228E-11 Laplacian 0.6547783E+00 (-1/4)Del**2(Rho)) -0.1636946E+00 Diamond 0.2041708E+01 Metallicity 0.7004676E+01 Ellipticity 0.2805535E-02 Gb(Abramov) 0.3002343E+00 Vb(Abramov) -0.4367740E+00 Hb(Abramov) -0.1365397E+00 Ex_ueg -0.8451758E-01 Ec_ueg -0.1150102E-01 Delta_ex -0.7666849E-01 Delta_ec 0.1800641E-01 Delta_et -0.2557140E+00 Pxc 0.7348700E+01 Qxc -0.4257843E+01 3,-1 167 3 -1 -3.209023 2.195763 -2.289169 Rho 0.2341900E+00 |GRAD(Rho)| 0.1146309E-13 GRAD(Rho)x 0.3333922E-15 GRAD(Rho)y 0.1108987E-13 GRAD(Rho)z -0.2882026E-14 Laplacian 0.8610232E+00 (-1/4)Del**2(Rho)) -0.2152558E+00 Diamond 0.2952161E+01 Metallicity 0.7121074E+01 Ellipticity 0.6960602E-02 Gb(Abramov) 0.3989793E+00 Vb(Abramov) -0.5827028E+00 Hb(Abramov) -0.1837235E+00 Ex_ueg -0.1066128E+00 Ec_ueg -0.1403841E-01 Delta_ex -0.1033414E+00 Delta_ec 0.1911414E-01 Delta_et -0.2643318E+00 Pxc 0.7594368E+01 Qxc -0.5406541E+01 3,-1 168 3 -1 -3.198053 2.215202 2.322911 Rho 0.2232623E+00 |GRAD(Rho)| 0.3082720E-15 GRAD(Rho)x 0.2219904E-15 GRAD(Rho)y -0.1757492E-15 GRAD(Rho)z -0.1219185E-15 Laplacian 0.8057939E+00 (-1/4)Del**2(Rho)) -0.2014485E+00 Diamond 0.2620828E+01 Metallicity 0.7026645E+01 Ellipticity 0.6826852E-02 Gb(Abramov) 0.3702168E+00 Vb(Abramov) -0.5389851E+00 Hb(Abramov) -0.1687683E+00 Ex_ueg -0.1000320E+00 Ec_ueg -0.1328976E-01 Delta_ex -0.9559196E-01 Delta_ec 0.1826764E-01 Delta_et -0.2525966E+00 Pxc 0.7526996E+01 Qxc -0.5232858E+01 3,-1 169 3 -1 0.068515 4.535633 -0.013743 Rho 0.2252260E+00 |GRAD(Rho)| 0.3886562E-10 GRAD(Rho)x 0.7450044E-11 GRAD(Rho)y 0.3814451E-10 GRAD(Rho)z -0.1722131E-12 Laplacian 0.8072898E+00 (-1/4)Del**2(Rho)) -0.2018224E+00 Diamond 0.2660507E+01 Metallicity 0.7116740E+01 Ellipticity 0.8830650E-03 Gb(Abramov) 0.3739346E+00 Vb(Abramov) -0.5460468E+00 Hb(Abramov) -0.1721122E+00 Ex_ueg -0.1012068E+00 Ec_ueg -0.1342381E-01 Delta_ex -0.9602743E-01 Delta_ec 0.1832815E-01 Delta_et -0.2538462E+00 Pxc 0.7539350E+01 Qxc -0.5239340E+01 3,-1 170 3 -1 1.908999 -2.541243 -1.665310 Rho 0.2257656E+00 |GRAD(Rho)| 0.2195747E-15 GRAD(Rho)x -0.7589415E-17 GRAD(Rho)y 0.2023121E-15 GRAD(Rho)z -0.8500145E-16 Laplacian 0.8576084E+00 (-1/4)Del**2(Rho)) -0.2144021E+00 Diamond 0.2797201E+01 Metallicity 0.6725952E+01 Ellipticity 0.1918218E-01 Gb(Abramov) 0.3832778E+00 Vb(Abramov) -0.5521534E+00 Hb(Abramov) -0.1688757E+00 Ex_ueg -0.1015302E+00 Ec_ueg -0.1346068E-01 Delta_ex -0.1018608E+00 Delta_ec 0.1907275E-01 Delta_et -0.2626370E+00 Pxc 0.7542726E+01 Qxc -0.5340643E+01 3,-1 171 3 -1 -0.563199 -0.676507 -3.207100 Rho 0.1472952E+00 |GRAD(Rho)| 0.5153517E-15 GRAD(Rho)x 0.3337310E-15 GRAD(Rho)y -0.8197924E-16 GRAD(Rho)z -0.3840447E-15 Laplacian 0.6254926E+00 (-1/4)Del**2(Rho)) -0.1563732E+00 Diamond 0.1237079E+01 Metallicity 0.4525902E+01 Ellipticity 0.1900264E-01 Gb(Abramov) 0.2222037E+00 Vb(Abramov) -0.2880342E+00 Hb(Abramov) -0.6583054E-01 Ex_ueg -0.5745172E-01 Ec_ueg -0.8270591E-02 Delta_ex -0.6684117E-01 Delta_ec 0.1588581E-01 Delta_et -0.2108048E+00 Pxc 0.6946507E+01 Qxc -0.4207603E+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 69 70 71 72 73 74 81 71 76 148 75 160 165 166 80 159 171 82 145 140 72 151 86 85 138 114 169 149 152 162 124 164 141 95 105 93 153 99 107 133 156 132 143 135 167 63 131 64 129 111 130 52 158 61 128 157 127 110 155 134 144 136 168 97 106 94 154 100 108 147 123 170 122 163 142 125 54 55 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 37 2.450298 1.951581 1.918906 1.959237 1.919495 1.736469 1.569078 1.554719 1.571403 1.571026 2.379809 1.918292 1.931390 1.925511 1.947852 1.746636 2.501975 1.948641 1.938146 1.912889 1.918593 1.741094 2.486236 1.927534 1.752045 2.141989 2.000458 1.759500 2.586007 1.935763 1.957623 1.844597 1.954291 1.747823 2.431084 1.824060 1.949495 1.938089 2.013515 1.752725 2.372780 2.209440 1.963763 1.941372 1.754044 1.759981 2.383029 2.183980 1.959172 1.954156 1.756042 1.759521 2.479703 1.816559 1.932574 1.979958 2.027950 1.744536 2.572162 1.940056 1.942590 1.858064 1.946837 1.747462 2.524850 1.952599 1.740346 2.177186 1.994593 1.750885 2.992142 3.203472 3.211317 2.451433 1.952262 1.919447 1.959998 1.920259 1.736485 1.569113 1.554792 1.571442 1.571044 2.381163 1.918685 1.931837 1.926120 1.948445 1.746642 2.503087 1.949220 1.938737 1.913541 1.919257 1.741112 2.487337 1.927970 1.752093 2.142554 2.001019 1.759532 2.587009 1.936159 1.958088 1.844973 1.954843 1.747833 2.432128 1.824432 1.949852 1.938581 2.014079 1.752736 2.374486 2.209907 1.964224 1.941954 1.754056 1.760003 2.384769 2.184347 1.959609 1.954744 1.756054 1.759543 2.480687 1.816995 1.933092 1.980707 2.028705 1.744560 2.573180 1.940452 1.943062 1.858481 1.947341 1.747469 2.525963 1.953173 1.740428 2.177927 1.995338 1.750931 3.001796 3.205524 3.213314 27 23 25 23 26 21 22 19 19 21 27 23 23 25 25 21 29 23 23 24 24 23 29 23 22 28 23 23 29 23 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3.02259778 -23.58720927 -6.62389779 -5.04342378 15.14916640 3.63397266 8.43804287 -360.1884 401.6694 -50.1952 -385.1307 -58.5230 -452.3679 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 Apr28-2024 02:26:14 Nodes: 1 Procs: 1 0 Apr28-2024 02:26:15 Nodes: 1 Procs: 1 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 02:26:16 Nodes: 1 Procs: 1 Apr28-2024 02:26:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 02:26:17 Nodes: 1 Procs: 1 Apr28-2024 02:26:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr28-2024 02:26:20 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -15.95762799 -16.39945983 -16.22437630 -16.51354178 -16.59020819 -16.60658780 -16.61112441 -16.61804661 -16.62038760 -16.62213578 -16.62305837 -16.62366938 -16.62398902 -16.62412590 -16.62414609 -16.62417368 -16.62419748 -16.62421261 -16.62421534 GEOMETRY CONVERGED