ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.06 1.20 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 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 1.96 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 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.46 0.08 1.88 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 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.32 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 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:18 Hydrogen (TZP) c5-8 c5-8 c5-8 c5-8 c5-8 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.06 3.03 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 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:39 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2457.438200000003 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun10-2024 15:29:21 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:29:01 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:48 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:29:13 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:30 1 1 Hydrogen TZP 1 1 -15.96003516 0.26368266 0.00100000 F 0.09943665 0.00066667 F 0.26368266 0.09943665 0.29946715 0.01000000 F 0.07140890 0.00666667 F Cartesian 2457.438200000003 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0.3190159E+03 3,-3 14 3 -3 -1.076278 -0.982657 -1.031112 Rho 0.3190903E+03 3,-3 15 3 -3 0.979408 0.933800 -0.972246 Rho 0.3190173E+03 3,-3 16 3 -3 -0.974984 0.954817 0.988057 Rho 0.3189915E+03 3,-3 17 3 -3 -3.025537 -1.142938 1.216870 Rho 0.3189369E+03 3,-3 18 3 -3 3.068247 -1.120959 -1.110138 Rho 0.3188516E+03 3,-3 19 3 -3 -3.012132 1.105006 -1.101715 Rho 0.3188759E+03 3,-3 20 3 -3 3.004970 1.199067 1.198597 Rho 0.3189330E+03 3,-3 21 3 -3 1.354790 -1.224997 -3.080416 Rho 0.3187403E+03 3,-3 22 3 -3 1.143626 1.190137 2.998810 Rho 0.3189505E+03 3,-3 23 3 -3 -1.164480 1.079467 -3.029697 Rho 0.3189416E+03 3,-3 24 3 -3 -1.147535 -1.125417 3.041598 Rho 0.3188807E+03 3,-3 25 3 -3 -1.174997 2.938412 -1.175537 Rho 0.3189425E+03 3,-3 26 3 -3 -1.183073 -2.982057 1.182822 Rho 0.3189418E+03 3,-3 27 3 -3 1.109447 3.036826 1.115482 Rho 0.3188726E+03 3,-3 28 3 -3 1.217164 -3.075494 -1.164794 Rho 0.3191669E+03 3,-3 29 3 -3 3.411796 -1.475770 1.554014 Rho 0.3191306E+03 3,-3 30 3 -3 -3.520487 -1.519294 -1.467783 Rho 0.3190776E+03 3,-3 31 3 -3 3.421256 1.546377 -1.474278 Rho 0.3189790E+03 3,-3 32 3 -3 -3.429892 1.504658 1.544276 Rho 0.3189709E+03 3,-3 33 3 -3 1.465679 -1.477369 3.440893 Rho 0.3190411E+03 3,-3 34 3 -3 1.532188 1.458874 -3.413004 Rho 0.3190322E+03 3,-3 35 3 -3 -1.526951 1.555153 3.425753 Rho 0.3189667E+03 3,-3 36 3 -3 -1.917916 -1.606423 -3.554112 Rho 0.3187442E+03 3,-3 37 3 -3 -1.598101 -3.559114 -1.375841 Rho 0.3188039E+03 3,-3 38 3 -3 -1.522694 3.406033 1.490936 Rho 0.3189795E+03 3,-3 39 3 -3 1.542023 -3.399852 1.559167 Rho 0.3189589E+03 3,-3 40 3 -3 1.509038 3.390676 -1.527356 Rho 0.3190618E+03 3,-3 41 3 -3 -0.224354 -3.754550 3.730229 Rho 0.3193638E+03 3,-3 42 3 -3 3.885577 -0.110906 -3.706980 Rho 0.3193533E+03 3,-3 43 3 -3 -0.200263 3.700156 -3.749456 Rho 0.3195221E+03 3,-3 44 3 -3 0.226201 3.766253 3.734997 Rho 0.3193611E+03 3,-3 45 3 -3 3.760110 -3.760961 -0.207399 Rho 0.3193268E+03 3,-3 46 3 -3 3.726667 3.768891 0.250277 Rho 0.3193673E+03 3,-3 47 3 -3 -3.760088 3.717964 -0.201014 Rho 0.3193670E+03 3,-3 48 3 -3 -3.895061 -3.669651 0.271880 Rho 0.3195108E+03 3,-3 49 3 -3 -3.818019 0.378283 -3.680117 Rho 0.3193630E+03 3,-3 50 3 -3 -3.725720 -0.192496 3.815104 Rho 0.3193687E+03 3,-3 51 3 -3 3.743285 0.176319 3.801974 Rho 0.3195026E+03 3,-3 52 3 -3 -1.584203 -2.345467 -2.986302 Rho 0.4493942E+00 3,-3 53 3 -3 -0.619820 -3.408651 -1.248565 Rho 0.4403047E+00 3,-3 54 3 -3 1.167797 -1.968100 -2.425608 Rho 0.4280940E+00 3,-3 55 3 +1 -1.130828 2.155898 1.323169 Rho 0.2871516E-01 |GRAD(Rho)| 0.1430628E-15 GRAD(Rho)x -0.2733658E-16 GRAD(Rho)y 0.1348527E-15 GRAD(Rho)z 0.3917176E-16 Laplacian 0.1148332E+00 (-1/4)Del**2(Rho)) -0.2870831E-01 Diamond 0.1850309E-01 Metallicity 0.1615837E+01 Ellipticity -0.4768285E+01 Gb(Abramov) 0.2687020E-01 Vb(Abramov) -0.2503209E-01 Hb(Abramov) 0.1838110E-02 Ex_ueg -0.6494316E-02 Ec_ueg -0.1277526E-02 Delta_ex -0.7441928E-02 Delta_ec 0.2001233E-02 Delta_et -0.1826029E-01 Pxc 0.5083509E+01 Qxc -0.3718671E+01 3,+1 56 3 +1 -2.178477 1.167993 1.295096 Rho 0.2860638E-01 |GRAD(Rho)| 0.3398073E-16 GRAD(Rho)x 0.1973572E-16 GRAD(Rho)y 0.2819659E-17 GRAD(Rho)z -0.2751801E-16 Laplacian 0.1144474E+00 (-1/4)Del**2(Rho)) -0.2861186E-01 Diamond 0.1875129E-01 Metallicity 0.1611061E+01 Ellipticity -0.5776068E+01 Gb(Abramov) 0.2675715E-01 Vb(Abramov) -0.2490244E-01 Hb(Abramov) 0.1854712E-02 Ex_ueg -0.6461534E-02 Ec_ueg -0.1271949E-02 Delta_ex -0.7446264E-02 Delta_ec 0.2060370E-02 Delta_et -0.1877438E-01 Pxc 0.5080025E+01 Qxc -0.3614041E+01 3,+1 57 3 +3 0.991246 -1.164373 -1.223744 Rho 0.4652261E-02 |GRAD(Rho)| 0.3688696E-17 GRAD(Rho)x -0.2491953E-17 GRAD(Rho)y -0.3135676E-19 GRAD(Rho)z 0.2719497E-17 Laplacian 0.1796104E-01 (-1/4)Del**2(Rho)) -0.4490259E-02 Diamond 0.1467216E-03 Metallicity 0.4974185E+00 Ellipticity -0.5404931E+00 Gb(Abramov) 0.3365762E-02 Vb(Abramov) -0.2241266E-02 Hb(Abramov) 0.1124497E-02 Ex_ueg -0.5735930E-03 Ec_ueg -0.1319790E-03 Delta_ex -0.6420906E-03 Delta_ec 0.1394935E-03 Delta_et -0.9148560E-03 Pxc 0.4346093E+01 Qxc -0.4603013E+01 3,+3 58 3 +1 -1.531093 -2.051430 -1.958593 Rho 0.1038724E-01 |GRAD(Rho)| 0.1064501E-16 GRAD(Rho)x 0.2508157E-17 GRAD(Rho)y 0.6229561E-17 GRAD(Rho)z 0.8259419E-17 Laplacian 0.4559864E-01 (-1/4)Del**2(Rho)) -0.1139966E-01 Diamond 0.1383203E-02 Metallicity 0.7472992E+00 Ellipticity -0.1262835E+01 Gb(Abramov) 0.9019600E-02 Vb(Abramov) -0.6639540E-02 Hb(Abramov) 0.2380061E-02 Ex_ueg -0.1673857E-02 Ec_ueg -0.3856396E-03 Delta_ex -0.2117427E-02 Delta_ec 0.5192208E-03 Delta_et -0.3817141E-02 Pxc 0.4340470E+01 Qxc -0.4078086E+01 3,+1 59 3 -1 0.119298 -1.986771 -1.055706 Rho 0.7825557E-02 |GRAD(Rho)| 0.7842472E-17 GRAD(Rho)x 0.7468574E-17 GRAD(Rho)y -0.1892362E-17 GRAD(Rho)z -0.1464147E-17 Laplacian 0.2997391E-01 (-1/4)Del**2(Rho)) -0.7493478E-02 Diamond 0.1434900E-02 Metallicity 0.7091344E+00 Ellipticity 0.6632949E+00 Gb(Abramov) 0.5881299E-02 Vb(Abramov) -0.4269120E-02 Hb(Abramov) 0.1612179E-02 Ex_ueg -0.1147463E-02 Ec_ueg -0.2704637E-03 Delta_ex -0.1709913E-02 Delta_ec 0.1087336E-02 Delta_et -0.6697736E-02 Pxc 0.4242577E+01 Qxc -0.1572571E+01 3,-1 60 3 +1 -1.706092 -0.549197 0.548687 Rho 0.8957825E-02 |GRAD(Rho)| 0.1780247E-12 GRAD(Rho)x -0.1086255E-12 GRAD(Rho)y 0.9967545E-13 GRAD(Rho)z -0.9979034E-13 Laplacian 0.3396384E-01 (-1/4)Del**2(Rho)) -0.8490960E-02 Diamond 0.9729237E-03 Metallicity 0.7839120E+00 Ellipticity -0.1513731E+01 Gb(Abramov) 0.6770001E-02 Vb(Abramov) -0.5049042E-02 Hb(Abramov) 0.1720959E-02 Ex_ueg -0.1374005E-02 Ec_ueg -0.3210185E-03 Delta_ex -0.1572874E-02 Delta_ec 0.4871195E-03 Delta_et -0.3357102E-02 Pxc 0.4280145E+01 Qxc -0.3228929E+01 3,+1 61 3 +1 -2.918412 -0.226153 -0.151164 Rho 0.5645619E-02 |GRAD(Rho)| 0.8143032E-16 GRAD(Rho)x -0.6003939E-17 GRAD(Rho)y -0.6615073E-16 GRAD(Rho)z -0.4710553E-16 Laplacian 0.2367407E-01 (-1/4)Del**2(Rho)) -0.5918517E-02 Diamond 0.5756910E-03 Metallicity 0.5210262E+00 Ellipticity -0.2045525E+01 Gb(Abramov) 0.4459628E-02 Vb(Abramov) -0.3000740E-02 Hb(Abramov) 0.1458888E-02 Ex_ueg -0.7424499E-03 Ec_ueg -0.1748013E-03 Delta_ex -0.1146508E-02 Delta_ec 0.6406644E-03 Delta_et -0.3650144E-02 Pxc 0.4247392E+01 Qxc -0.1789561E+01 3,+1 62 3 +1 -0.643126 -1.661365 0.487361 Rho 0.9136307E-02 |GRAD(Rho)| 0.1452750E-16 GRAD(Rho)x 0.4698426E-17 GRAD(Rho)y 0.1187604E-16 GRAD(Rho)z -0.6923343E-17 Laplacian 0.3468006E-01 (-1/4)Del**2(Rho)) -0.8670015E-02 Diamond 0.1036497E-02 Metallicity 0.7933859E+00 Ellipticity -0.1543170E+01 Gb(Abramov) 0.6926454E-02 Vb(Abramov) -0.5182894E-02 Hb(Abramov) 0.1743560E-02 Ex_ueg -0.1410628E-02 Ec_ueg -0.3290394E-03 Delta_ex -0.1620733E-02 Delta_ec 0.5092436E-03 Delta_et -0.3518189E-02 Pxc 0.4287112E+01 Qxc -0.3182627E+01 3,+1 63 3 +1 -0.530813 0.551519 -1.677426 Rho 0.9168682E-02 |GRAD(Rho)| 0.2889503E-14 GRAD(Rho)x -0.5454150E-15 GRAD(Rho)y -0.2347411E-14 GRAD(Rho)z 0.1594180E-14 Laplacian 0.3540124E-01 (-1/4)Del**2(Rho)) -0.8850309E-02 Diamond 0.1061252E-02 Metallicity 0.7818191E+00 Ellipticity -0.1519039E+01 Gb(Abramov) 0.7053429E-02 Vb(Abramov) -0.5256550E-02 Hb(Abramov) 0.1796879E-02 Ex_ueg -0.1417297E-02 Ec_ueg -0.3304958E-03 Delta_ex -0.1655124E-02 Delta_ec 0.5184205E-03 Delta_et -0.3585949E-02 Pxc 0.4288398E+01 Qxc -0.3192628E+01 3,+1 64 3 +3 -2.353016 -0.011880 0.067247 Rho 0.5002935E-02 |GRAD(Rho)| 0.1448257E-13 GRAD(Rho)x 0.1066550E-13 GRAD(Rho)y -0.6626896E-14 GRAD(Rho)z -0.7216386E-14 Laplacian 0.2059594E-01 (-1/4)Del**2(Rho)) -0.5148986E-02 Diamond 0.2065830E-03 Metallicity 0.4896355E+00 Ellipticity -0.3336258E+00 Gb(Abramov) 0.3852845E-02 Vb(Abramov) -0.2556704E-02 Hb(Abramov) 0.1296141E-02 Ex_ueg -0.6319531E-03 Ec_ueg -0.1470391E-03 Delta_ex -0.7698103E-03 Delta_ec 0.1944930E-03 Delta_et -0.1240011E-02 Pxc 0.4297858E+01 Qxc -0.3958036E+01 3,+3 65 3 -1 -2.841530 -1.789097 0.592309 Rho 0.1313691E+00 |GRAD(Rho)| 0.1371426E-15 GRAD(Rho)x -0.5194006E-16 GRAD(Rho)y 0.1181238E-15 GRAD(Rho)z 0.4644451E-16 Laplacian 0.5508948E+00 (-1/4)Del**2(Rho)) -0.1377237E+00 Diamond 0.9409073E+00 Metallicity 0.4246520E+01 Ellipticity 0.1395318E-01 Gb(Abramov) 0.1892902E+00 Vb(Abramov) -0.2408567E+00 Hb(Abramov) -0.5156649E-01 Ex_ueg -0.4932222E-01 Ec_ueg -0.7261760E-02 Delta_ex -0.5714834E-01 Delta_ec 0.1420206E-01 Delta_et -0.1848861E+00 Pxc 0.6792047E+01 Qxc -0.4023947E+01 3,-1 66 3 +1 -1.686192 0.546977 -0.485665 Rho 0.1000731E-01 |GRAD(Rho)| 0.3508338E-13 GRAD(Rho)x -0.3202191E-13 GRAD(Rho)y 0.1159764E-13 GRAD(Rho)z 0.8422354E-14 Laplacian 0.3881244E-01 (-1/4)Del**2(Rho)) -0.9703110E-02 Diamond 0.1256091E-02 Metallicity 0.8250962E+00 Ellipticity -0.1499335E+01 Gb(Abramov) 0.7803073E-02 Vb(Abramov) -0.5903036E-02 Hb(Abramov) 0.1900037E-02 Ex_ueg -0.1592728E-02 Ec_ueg -0.3683791E-03 Delta_ex -0.1835141E-02 Delta_ec 0.5322409E-03 Delta_et -0.3792362E-02 Pxc 0.4323611E+01 Qxc -0.3447952E+01 3,+1 67 3 -1 -3.328546 -3.132715 0.093445 Rho 0.2373046E+00 |GRAD(Rho)| 0.3081561E-10 GRAD(Rho)x -0.2177210E-10 GRAD(Rho)y -0.2070700E-10 GRAD(Rho)z 0.6840909E-11 Laplacian 0.8607312E+00 (-1/4)Del**2(Rho)) -0.2151828E+00 Diamond 0.3007996E+01 Metallicity 0.7282087E+01 Ellipticity 0.2017888E-02 Gb(Abramov) 0.4046185E+00 Vb(Abramov) -0.5940543E+00 Hb(Abramov) -0.1894357E+00 Ex_ueg -0.1085075E+00 Ec_ueg -0.1425299E-01 Delta_ex -0.1037144E+00 Delta_ec 0.1912552E-01 Delta_et -0.2650227E+00 Pxc 0.7612969E+01 Qxc -0.5422828E+01 3,-1 68 3 +3 0.063589 -0.040462 2.306555 Rho 0.4561292E-02 |GRAD(Rho)| 0.1509803E-15 GRAD(Rho)x -0.5596969E-16 GRAD(Rho)y 0.9332556E-16 GRAD(Rho)z -0.1046555E-15 Laplacian 0.1866234E-01 (-1/4)Del**2(Rho)) -0.4665584E-02 Diamond 0.1576865E-03 Metallicity 0.4632268E+00 Ellipticity -0.3728265E+00 Gb(Abramov) 0.3470593E-02 Vb(Abramov) -0.2275603E-02 Hb(Abramov) 0.1194991E-02 Ex_ueg -0.5586875E-03 Ec_ueg -0.1280826E-03 Delta_ex -0.6734599E-03 Delta_ec 0.1623207E-03 Delta_et -0.1031063E-02 Pxc 0.4361933E+01 Qxc -0.4148946E+01 3,+3 69 3 +1 -2.918891 0.149569 0.221434 Rho 0.5713825E-02 |GRAD(Rho)| 0.3925586E-16 GRAD(Rho)x -0.2653990E-17 GRAD(Rho)y 0.2307708E-16 GRAD(Rho)z 0.3164534E-16 Laplacian 0.2371375E-01 (-1/4)Del**2(Rho)) -0.5928437E-02 Diamond 0.6327786E-03 Metallicity 0.5306699E+00 Ellipticity -0.2846830E+01 Gb(Abramov) 0.4476632E-02 Vb(Abramov) -0.3024827E-02 Hb(Abramov) 0.1451805E-02 Ex_ueg -0.7544335E-03 Ec_ueg -0.1777598E-03 Delta_ex -0.1187594E-02 Delta_ec 0.7065669E-03 Delta_et -0.4009900E-02 Pxc 0.4244118E+01 Qxc -0.1680795E+01 3,+1 70 3 -1 -1.790914 -0.550106 2.818044 Rho 0.1515900E+00 |GRAD(Rho)| 0.2046974E-12 GRAD(Rho)x 0.1519311E-12 GRAD(Rho)y -0.1311423E-12 GRAD(Rho)z 0.4024500E-13 Laplacian 0.6360003E+00 (-1/4)Del**2(Rho)) -0.1590001E+00 Diamond 0.1301092E+01 Metallicity 0.4669535E+01 Ellipticity 0.1620283E-01 Gb(Abramov) 0.2297428E+00 Vb(Abramov) -0.3004855E+00 Hb(Abramov) -0.7074272E-01 Ex_ueg -0.5969610E-01 Ec_ueg -0.8545378E-02 Delta_ex -0.6843668E-01 Delta_ec 0.1602105E-01 Delta_et -0.2134108E+00 Pxc 0.6985777E+01 Qxc -0.4271672E+01 3,-1 71 3 -1 -1.995798 2.974076 0.862219 Rho 0.1524770E+00 |GRAD(Rho)| 0.3542379E-15 GRAD(Rho)x -0.2970985E-15 GRAD(Rho)y -0.1066042E-15 GRAD(Rho)z 0.1607872E-15 Laplacian 0.6028322E+00 (-1/4)Del**2(Rho)) -0.1507081E+00 Diamond 0.1246784E+01 Metallicity 0.4974589E+01 Ellipticity 0.4851060E-01 Gb(Abramov) 0.2254238E+00 Vb(Abramov) -0.3001396E+00 Hb(Abramov) -0.7471575E-01 Ex_ueg -0.6016226E-01 Ec_ueg -0.8602265E-02 Delta_ex -0.6500848E-01 Delta_ec 0.1524821E-01 Delta_et -0.2034780E+00 Pxc 0.6993769E+01 Qxc -0.4263351E+01 3,-1 72 3 -1 -3.054892 -0.837795 -1.974420 Rho 0.1116885E+00 |GRAD(Rho)| 0.1233802E-15 GRAD(Rho)x -0.3907194E-16 GRAD(Rho)y -0.7905867E-16 GRAD(Rho)z -0.8628894E-16 Laplacian 0.4262936E+00 (-1/4)Del**2(Rho)) -0.1065734E+00 Diamond 0.6130091E+00 Metallicity 0.4187149E+01 Ellipticity 0.2290161E-02 Gb(Abramov) 0.1454220E+00 Vb(Abramov) -0.1842707E+00 Hb(Abramov) -0.3884864E-01 Ex_ueg -0.3972491E-01 Ec_ueg -0.6038382E-02 Delta_ex -0.4274203E-01 Delta_ec 0.1178746E-01 Delta_et -0.1498378E+00 Pxc 0.6578734E+01 Qxc -0.3626058E+01 3,-1 73 3 -1 -2.924232 0.003011 0.077213 Rho 0.5743660E-02 |GRAD(Rho)| 0.9880560E-17 GRAD(Rho)x 0.1830571E-17 GRAD(Rho)y -0.6030578E-17 GRAD(Rho)z 0.7609639E-17 Laplacian 0.2319592E-01 (-1/4)Del**2(Rho)) -0.5798981E-02 Diamond 0.7471835E-03 Metallicity 0.5472461E+00 Ellipticity 0.2413161E+01 Gb(Abramov) 0.4394899E-02 Vb(Abramov) -0.2990817E-02 Hb(Abramov) 0.1404082E-02 Ex_ueg -0.7596905E-03 Ec_ueg -0.1790546E-03 Delta_ex -0.1258481E-02 Delta_ec 0.8618319E-03 Delta_et -0.4827010E-02 Pxc 0.4242787E+01 Qxc -0.1460239E+01 3,-1 74 3 +3 -1.153637 -1.104799 1.130830 Rho 0.5345795E-02 |GRAD(Rho)| 0.3388078E-17 GRAD(Rho)x -0.1440523E-17 GRAD(Rho)y -0.1661705E-17 GRAD(Rho)z 0.2577344E-17 Laplacian 0.2071088E-01 (-1/4)Del**2(Rho)) -0.5177720E-02 Diamond 0.1559825E-03 Metallicity 0.5437948E+00 Ellipticity -0.2130485E+00 Gb(Abramov) 0.3921083E-02 Vb(Abramov) -0.2664446E-02 Hb(Abramov) 0.1256637E-02 Ex_ueg -0.6903481E-03 Ec_ueg -0.1618240E-03 Delta_ex -0.7268337E-03 Delta_ec 0.8739129E-04 Delta_et -0.7107552E-03 Pxc 0.4266043E+01 Qxc -0.8317004E+01 3,+3 75 3 -1 -1.719743 0.523869 1.756012 Rho 0.4729703E-01 |GRAD(Rho)| 0.4073407E-16 GRAD(Rho)x 0.3344721E-16 GRAD(Rho)y 0.3580197E-17 GRAD(Rho)z -0.2297238E-16 Laplacian 0.1898210E+00 (-1/4)Del**2(Rho)) -0.4745526E-01 Diamond 0.8796877E-01 Metallicity 0.2245563E+01 Ellipticity 0.1214592E-01 Gb(Abramov) 0.4939747E-01 Vb(Abramov) -0.5133968E-01 Hb(Abramov) -0.1942212E-02 Ex_ueg -0.1263272E-01 Ec_ueg -0.2266018E-02 Delta_ex -0.1534973E-01 Delta_ec 0.5554287E-02 Delta_et -0.5769667E-01 Pxc 0.5574856E+01 Qxc -0.2763583E+01 3,-1 76 3 -1 -3.178041 -0.052221 3.257786 Rho 0.2487877E+00 |GRAD(Rho)| 0.6604194E-15 GRAD(Rho)x -0.3341511E-15 GRAD(Rho)y -0.1943432E-16 GRAD(Rho)z 0.5693146E-15 Laplacian 0.9085414E+00 (-1/4)Del**2(Rho)) -0.2271353E+00 Diamond 0.3342041E+01 Metallicity 0.7464202E+01 Ellipticity 0.1303042E-02 Gb(Abramov) 0.4339876E+00 Vb(Abramov) -0.6408398E+00 Hb(Abramov) -0.2068522E+00 Ex_ueg -0.1155643E+00 Ec_ueg -0.1504870E-01 Delta_ex -0.1107404E+00 Delta_ec 0.1973461E-01 Delta_et -0.2730854E+00 Pxc 0.7679355E+01 Qxc -0.5611483E+01 3,-1 77 3 -1 -3.246175 0.166880 -3.169222 Rho 0.2471305E+00 |GRAD(Rho)| 0.2891955E-10 GRAD(Rho)x -0.2083271E-10 GRAD(Rho)y 0.7619326E-11 GRAD(Rho)z -0.1855491E-10 Laplacian 0.9192916E+00 (-1/4)Del**2(Rho)) -0.2298229E+00 Diamond 0.3340884E+01 Metallicity 0.7295196E+01 Ellipticity 0.4283759E-02 Gb(Abramov) 0.4326491E+00 Vb(Abramov) -0.6354754E+00 Hb(Abramov) -0.2028262E+00 Ex_ueg -0.1145390E+00 Ec_ueg -0.1493341E-01 Delta_ex -0.1117848E+00 Delta_ec 0.1988421E-01 Delta_et -0.2745416E+00 Pxc 0.7669982E+01 Qxc -0.5621786E+01 3,-1 78 3 +1 2.157079 -1.320736 1.141546 Rho 0.2590615E-01 |GRAD(Rho)| 0.1450924E-16 GRAD(Rho)x -0.1402682E-16 GRAD(Rho)y -0.3539392E-17 GRAD(Rho)z -0.1113097E-17 Laplacian 0.1041724E+00 (-1/4)Del**2(Rho)) -0.2604309E-01 Diamond 0.1576957E-01 Metallicity 0.1500371E+01 Ellipticity -0.7537529E+01 Gb(Abramov) 0.2387444E-01 Vb(Abramov) -0.2170580E-01 Hb(Abramov) 0.2168646E-02 Ex_ueg -0.5661379E-02 Ec_ueg -0.1134445E-02 Delta_ex -0.6692193E-02 Delta_ec 0.2037783E-02 Delta_et -0.1808907E-01 Pxc 0.4990440E+01 Qxc -0.3284055E+01 3,+1 79 3 -1 -1.842188 -1.711251 -0.555495 Rho 0.4421305E-01 |GRAD(Rho)| 0.1374154E-12 GRAD(Rho)x -0.2080574E-14 GRAD(Rho)y 0.1313681E-12 GRAD(Rho)z 0.4026268E-13 Laplacian 0.1820453E+00 (-1/4)Del**2(Rho)) -0.4551133E-01 Diamond 0.7944777E-01 Metallicity 0.2092591E+01 Ellipticity 0.2041280E-01 Gb(Abramov) 0.4621366E-01 Vb(Abramov) -0.4691598E-01 Hb(Abramov) -0.7023225E-03 Ex_ueg -0.1154655E-01 Ec_ueg -0.2097582E-02 Delta_ex -0.1459945E-01 Delta_ec 0.5553719E-02 Delta_et -0.5671781E-01 Pxc 0.5504697E+01 Qxc -0.2628770E+01 3,-1 80 3 -1 -2.785566 1.761886 -0.517910 Rho 0.1399209E+00 |GRAD(Rho)| 0.4621874E-15 GRAD(Rho)x -0.6591949E-16 GRAD(Rho)y -0.3927387E-15 GRAD(Rho)z -0.2345807E-15 Laplacian 0.5914261E+00 (-1/4)Del**2(Rho)) -0.1478565E+00 Diamond 0.1101868E+01 Metallicity 0.4393901E+01 Ellipticity 0.1376018E-01 Gb(Abramov) 0.2068488E+00 Vb(Abramov) -0.2658412E+00 Hb(Abramov) -0.5899232E-01 Ex_ueg -0.5364902E-01 Ec_ueg -0.7801461E-02 Delta_ex -0.6243536E-01 Delta_ec 0.1525330E-01 Delta_et -0.2009902E+00 Pxc 0.6876791E+01 Qxc -0.4093236E+01 3,-1 81 3 -1 -2.990110 0.851042 2.027415 Rho 0.1351326E+00 |GRAD(Rho)| 0.4367458E-15 GRAD(Rho)x 0.3426485E-15 GRAD(Rho)y -0.7279062E-16 GRAD(Rho)z 0.2608455E-15 Laplacian 0.5329117E+00 (-1/4)Del**2(Rho)) -0.1332279E+00 Diamond 0.9546401E+00 Metallicity 0.4601416E+01 Ellipticity 0.3360571E-01 Gb(Abramov) 0.1909915E+00 Vb(Abramov) -0.2487550E+00 Hb(Abramov) -0.5776354E-01 Ex_ueg -0.5121516E-01 Ec_ueg -0.7498691E-02 Delta_ex -0.5581236E-01 Delta_ec 0.1391110E-01 Delta_et -0.1824276E+00 Pxc 0.6829881E+01 Qxc -0.4012072E+01 3,-1 82 3 +1 -1.752563 1.681162 -1.758321 Rho 0.1206408E-01 |GRAD(Rho)| 0.1249579E-14 GRAD(Rho)x -0.7947856E-15 GRAD(Rho)y 0.1946156E-15 GRAD(Rho)z 0.9443984E-15 Laplacian 0.6011588E-01 (-1/4)Del**2(Rho)) -0.1502897E-01 Diamond 0.2416258E-02 Metallicity 0.7274129E+00 Ellipticity -0.1260159E+01 Gb(Abramov) 0.1184136E-01 Vb(Abramov) -0.8653746E-02 Hb(Abramov) 0.3187612E-02 Ex_ueg -0.2043513E-02 Ec_ueg -0.4625280E-03 Delta_ex -0.2956173E-02 Delta_ec 0.7750501E-03 Delta_et -0.5823183E-02 Pxc 0.4418139E+01 Qxc -0.3814171E+01 3,+1 83 3 -1 -3.005994 1.967011 0.888755 Rho 0.1461664E+00 |GRAD(Rho)| 0.4391592E-15 GRAD(Rho)x -0.1226910E-15 GRAD(Rho)y 0.1050998E-15 GRAD(Rho)z -0.4083647E-15 Laplacian 0.5723030E+00 (-1/4)Del**2(Rho)) -0.1430757E+00 Diamond 0.1129284E+01 Metallicity 0.4883523E+01 Ellipticity 0.3864221E-01 Gb(Abramov) 0.2118361E+00 Vb(Abramov) -0.2805964E+00 Hb(Abramov) -0.6876035E-01 Ex_ueg -0.5686546E-01 Ec_ueg -0.8198563E-02 Delta_ex -0.6112250E-01 Delta_ec 0.1470643E-01 Delta_et -0.1952619E+00 Pxc 0.6936027E+01 Qxc -0.4156176E+01 3,-1 84 3 +1 -2.193900 -2.210722 -2.052871 Rho 0.1045555E-01 |GRAD(Rho)| 0.2039259E-16 GRAD(Rho)x 0.1404443E-16 GRAD(Rho)y -0.2942170E-17 GRAD(Rho)z -0.1448984E-16 Laplacian 0.4633459E-01 (-1/4)Del**2(Rho)) -0.1158365E-01 Diamond 0.1409389E-02 Metallicity 0.7435090E+00 Ellipticity -0.1253415E+01 Gb(Abramov) 0.9157856E-02 Vb(Abramov) -0.6732064E-02 Hb(Abramov) 0.2425791E-02 Ex_ueg -0.1688552E-02 Ec_ueg -0.3887497E-03 Delta_ex -0.2152287E-02 Delta_ec 0.5221253E-03 Delta_et -0.3849591E-02 Pxc 0.4343545E+01 Qxc -0.4122166E+01 3,+1 85 3 -1 -3.103945 -1.975673 -0.830726 Rho 0.1560572E+00 |GRAD(Rho)| 0.5099480E-16 GRAD(Rho)x 0.2585822E-16 GRAD(Rho)y 0.2535678E-16 GRAD(Rho)z 0.3590064E-16 Laplacian 0.6133087E+00 (-1/4)Del**2(Rho)) -0.1533272E+00 Diamond 0.1288330E+01 Metallicity 0.5082455E+01 Ellipticity 0.8998828E-01 Gb(Abramov) 0.2320979E+00 Vb(Abramov) -0.3108686E+00 Hb(Abramov) -0.7877070E-01 Ex_ueg -0.6205308E-01 Ec_ueg -0.8832381E-02 Delta_ex -0.6636702E-01 Delta_ec 0.1515380E-01 Delta_et -0.2021928E+00 Pxc 0.7025635E+01 Qxc -0.4379562E+01 3,-1 86 3 -1 -2.792910 0.548711 -1.783213 Rho 0.1411960E+00 |GRAD(Rho)| 0.2470247E-15 GRAD(Rho)x 0.4357137E-17 GRAD(Rho)y -0.1563826E-15 GRAD(Rho)z -0.1911719E-15 Laplacian 0.6003818E+00 (-1/4)Del**2(Rho)) -0.1500954E+00 Diamond 0.1135756E+01 Metallicity 0.4394299E+01 Ellipticity 0.2871645E-02 Gb(Abramov) 0.2099910E+00 Vb(Abramov) -0.2698866E+00 Hb(Abramov) -0.5989556E-01 Ex_ueg -0.5430188E-01 Ec_ueg -0.7882335E-02 Delta_ex -0.6357449E-01 Delta_ec 0.1554542E-01 Delta_et -0.2053194E+00 Pxc 0.6889061E+01 Qxc -0.4089597E+01 3,-1 87 3 +1 -2.274737 -1.268376 -1.185121 Rho 0.2894408E-01 |GRAD(Rho)| 0.8776519E-16 GRAD(Rho)x 0.8069906E-16 GRAD(Rho)y 0.2526784E-16 GRAD(Rho)z 0.2349311E-16 Laplacian 0.1205090E+00 (-1/4)Del**2(Rho)) -0.3012726E-01 Diamond 0.2139456E-01 Metallicity 0.1560246E+01 Ellipticity -0.1015867E+02 Gb(Abramov) 0.2791916E-01 Vb(Abramov) -0.2571106E-01 Hb(Abramov) 0.2208097E-02 Ex_ueg -0.6563437E-02 Ec_ueg -0.1289271E-02 Delta_ex -0.7983955E-02 Delta_ec 0.2381412E-02 Delta_et -0.2173806E-01 Pxc 0.5090812E+01 Qxc -0.3352614E+01 3,+1 88 3 -1 -1.816809 0.541367 -2.797994 Rho 0.1629315E+00 |GRAD(Rho)| 0.1034420E-13 GRAD(Rho)x -0.7832276E-14 GRAD(Rho)y -0.6546359E-14 GRAD(Rho)z 0.1674245E-14 Laplacian 0.6749294E+00 (-1/4)Del**2(Rho)) -0.1687323E+00 Diamond 0.1504209E+01 Metallicity 0.4962454E+01 Ellipticity 0.1961490E-01 Gb(Abramov) 0.2520427E+00 Vb(Abramov) -0.3353530E+00 Hb(Abramov) -0.8331031E-01 Ex_ueg -0.6572417E-01 Ec_ueg -0.9276390E-02 Delta_ex -0.7392107E-01 Delta_ec 0.1667088E-01 Delta_et -0.2240922E+00 Pxc 0.7085102E+01 Qxc -0.4434142E+01 3,-1 89 3 -1 -1.985727 0.878820 3.021034 Rho 0.1428014E+00 |GRAD(Rho)| 0.1936684E-15 GRAD(Rho)x 0.1587408E-15 GRAD(Rho)y 0.2309351E-16 GRAD(Rho)z 0.1085151E-15 Laplacian 0.5651086E+00 (-1/4)Del**2(Rho)) -0.1412772E+00 Diamond 0.1082340E+01 Metallicity 0.4757387E+01 Ellipticity 0.3848394E-01 Gb(Abramov) 0.2062031E+00 Vb(Abramov) -0.2711291E+00 Hb(Abramov) -0.6492597E-01 Ex_ueg -0.5512664E-01 Ec_ueg -0.7984302E-02 Delta_ex -0.5999064E-01 Delta_ec 0.1456699E-01 Delta_et -0.1926694E+00 Pxc 0.6904378E+01 Qxc -0.4118258E+01 3,-1 90 3 +1 0.499644 1.664138 0.499545 Rho 0.8285476E-02 |GRAD(Rho)| 0.9137117E-16 GRAD(Rho)x 0.3732813E-16 GRAD(Rho)y 0.7431025E-16 GRAD(Rho)z 0.3785880E-16 Laplacian 0.3278379E-01 (-1/4)Del**2(Rho)) -0.8195947E-02 Diamond 0.8184342E-03 Metallicity 0.7130990E+00 Ellipticity -0.1396571E+01 Gb(Abramov) 0.6438052E-02 Vb(Abramov) -0.4680156E-02 Hb(Abramov) 0.1757895E-02 Ex_ueg -0.1238250E-02 Ec_ueg -0.2909295E-03 Delta_ex -0.1476327E-02 Delta_ec 0.4482369E-03 Delta_et -0.3045183E-02 Pxc 0.4256186E+01 Qxc -0.3293631E+01 3,+1 91 3 +1 0.550718 0.462187 1.669285 Rho 0.7878620E-02 |GRAD(Rho)| 0.3561014E-14 GRAD(Rho)x -0.1260951E-14 GRAD(Rho)y 0.3167382E-14 GRAD(Rho)z 0.1028843E-14 Laplacian 0.3092641E-01 (-1/4)Del**2(Rho)) -0.7731602E-02 Diamond 0.7514740E-03 Metallicity 0.6950786E+00 Ellipticity -0.1428594E+01 Gb(Abramov) 0.6050080E-02 Vb(Abramov) -0.4368558E-02 Hb(Abramov) 0.1681522E-02 Ex_ueg -0.1157849E-02 Ec_ueg -0.2728201E-03 Delta_ex -0.1390550E-02 Delta_ec 0.4504987E-03 Delta_et -0.2997599E-02 Pxc 0.4244002E+01 Qxc -0.3086690E+01 3,+1 92 3 +3 -1.117253 1.101988 -1.143132 Rho 0.5567971E-02 |GRAD(Rho)| 0.8633800E-17 GRAD(Rho)x 0.6284209E-17 GRAD(Rho)y -0.1378440E-17 GRAD(Rho)z 0.5757701E-17 Laplacian 0.2160277E-01 (-1/4)Del**2(Rho)) -0.5400693E-02 Diamond 0.1706173E-03 Metallicity 0.5579543E+00 Ellipticity -0.1843223E+00 Gb(Abramov) 0.4102686E-02 Vb(Abramov) -0.2804678E-02 Hb(Abramov) 0.1298008E-02 Ex_ueg -0.7288661E-03 Ec_ueg -0.1714362E-03 Delta_ex -0.7656729E-03 Delta_ec 0.8908921E-04 Delta_et -0.7355150E-03 Pxc 0.4251529E+01 Qxc -0.8594451E+01 3,+3 93 3 +1 0.043828 -2.951184 0.041640 Rho 0.4953513E-02 |GRAD(Rho)| 0.3090046E-11 GRAD(Rho)x 0.3009662E-11 GRAD(Rho)y 0.3665114E-12 GRAD(Rho)z -0.5966452E-12 Laplacian 0.1937521E-01 (-1/4)Del**2(Rho)) -0.4843804E-02 Diamond 0.4473745E-03 Metallicity 0.5119437E+00 Ellipticity -0.3705111E+01 Gb(Abramov) 0.3642495E-02 Vb(Abramov) -0.2441186E-02 Hb(Abramov) 0.1201309E-02 Ex_ueg -0.6236432E-03 Ec_ueg -0.1449128E-03 Delta_ex -0.9626935E-03 Delta_ec 0.6120931E-03 Delta_et -0.3314065E-02 Pxc 0.4303574E+01 Qxc -0.1572789E+01 3,+1 94 3 +1 0.180884 -0.149154 2.946306 Rho 0.5363395E-02 |GRAD(Rho)| 0.4685631E-12 GRAD(Rho)x -0.4580157E-12 GRAD(Rho)y -0.3696793E-13 GRAD(Rho)z -0.9168657E-13 Laplacian 0.2222582E-01 (-1/4)Del**2(Rho)) -0.5556456E-02 Diamond 0.5227546E-03 Metallicity 0.5095126E+00 Ellipticity -0.2154183E+01 Gb(Abramov) 0.4176151E-02 Vb(Abramov) -0.2795847E-02 Hb(Abramov) 0.1380305E-02 Ex_ueg -0.6933802E-03 Ec_ueg -0.1625845E-03 Delta_ex -0.1080585E-02 Delta_ec 0.6291721E-03 Delta_et -0.3517983E-02 Pxc 0.4264736E+01 Qxc -0.1717472E+01 3,+1 95 3 +1 -1.762344 -1.728725 1.782302 Rho 0.1228478E-01 |GRAD(Rho)| 0.3174083E-16 GRAD(Rho)x -0.1952444E-16 GRAD(Rho)y -0.2936508E-18 GRAD(Rho)z -0.2502380E-16 Laplacian 0.6168435E-01 (-1/4)Del**2(Rho)) -0.1542109E-01 Diamond 0.2542995E-02 Metallicity 0.7306627E+00 Ellipticity -0.1259654E+01 Gb(Abramov) 0.1215866E-01 Vb(Abramov) -0.8896234E-02 Hb(Abramov) 0.3262427E-02 Ex_ueg -0.2093509E-02 Ec_ueg -0.4727312E-03 Delta_ex -0.3048226E-02 Delta_ec 0.7959033E-03 Delta_et -0.6005854E-02 Pxc 0.4428539E+01 Qxc -0.3829895E+01 3,+1 96 3 +3 -1.903587 -2.010498 -1.919593 Rho 0.9890186E-02 |GRAD(Rho)| 0.1688428E-16 GRAD(Rho)x -0.5497889E-18 GRAD(Rho)y 0.1623829E-16 GRAD(Rho)z 0.4592874E-17 Laplacian 0.4444727E-01 (-1/4)Del**2(Rho)) -0.1111182E-01 Diamond 0.8054042E-03 Metallicity 0.7064946E+00 Ellipticity -0.6302030E+00 Gb(Abramov) 0.8716285E-02 Vb(Abramov) -0.6320752E-02 Hb(Abramov) 0.2395533E-02 Ex_ueg -0.1567922E-02 Ec_ueg -0.3630702E-03 Delta_ex -0.1867052E-02 Delta_ec 0.2021627E-03 Delta_et -0.1759756E-02 Pxc 0.4318508E+01 Qxc -0.9235392E+01 3,+3 97 3 +1 -0.536865 -0.556375 1.664427 Rho 0.8751831E-02 |GRAD(Rho)| 0.1026483E-16 GRAD(Rho)x -0.8267578E-17 GRAD(Rho)y -0.5460386E-17 GRAD(Rho)z -0.2682931E-17 Laplacian 0.3434630E-01 (-1/4)Del**2(Rho)) -0.8586574E-02 Diamond 0.9144687E-03 Metallicity 0.7457012E+00 Ellipticity -0.1413508E+01 Gb(Abramov) 0.6791552E-02 Vb(Abramov) -0.4996531E-02 Hb(Abramov) 0.1795022E-02 Ex_ueg -0.1332039E-02 Ec_ueg -0.3117786E-03 Delta_ex -0.1564216E-02 Delta_ec 0.4621893E-03 Delta_et -0.3190347E-02 Pxc 0.4272388E+01 Qxc -0.3384363E+01 3,+1 98 3 -1 -2.217228 -0.904955 -3.061863 Rho 0.1493725E+00 |GRAD(Rho)| 0.4516974E-09 GRAD(Rho)x -0.1563540E-09 GRAD(Rho)y 0.3635451E-09 GRAD(Rho)z 0.2177589E-09 Laplacian 0.5692160E+00 (-1/4)Del**2(Rho)) -0.1423040E+00 Diamond 0.1173560E+01 Metallicity 0.5090814E+01 Ellipticity 0.1264385E+00 Gb(Abramov) 0.2156099E+00 Vb(Abramov) -0.2889158E+00 Hb(Abramov) -0.7330588E-01 Ex_ueg -0.5853461E-01 Ec_ueg -0.8403359E-02 Delta_ex -0.6132431E-01 Delta_ec 0.1491945E-01 Delta_et -0.1995506E+00 Pxc 0.6965620E+01 Qxc -0.4110361E+01 3,-1 99 3 +3 -0.110681 -2.378679 -0.156733 Rho 0.4174016E-02 |GRAD(Rho)| 0.2934073E-17 GRAD(Rho)x 0.1877192E-17 GRAD(Rho)y -0.1799872E-17 GRAD(Rho)z 0.1358453E-17 Laplacian 0.1667252E-01 (-1/4)Del**2(Rho)) -0.4168129E-02 Diamond 0.1222973E-03 Metallicity 0.4472348E+00 Ellipticity -0.3941204E+00 Gb(Abramov) 0.3089442E-02 Vb(Abramov) -0.2010754E-02 Hb(Abramov) 0.1078688E-02 Ex_ueg -0.4963529E-03 Ec_ueg -0.1115424E-03 Delta_ex -0.5850520E-03 Delta_ec 0.1395444E-03 Delta_et -0.8760967E-03 Pxc 0.4449904E+01 Qxc -0.4192588E+01 3,+3 100 3 +1 -0.554355 1.608004 -0.554765 Rho 0.8991393E-02 |GRAD(Rho)| 0.5759345E-13 GRAD(Rho)x -0.3077499E-13 GRAD(Rho)y -0.4302161E-13 GRAD(Rho)z 0.2278260E-13 Laplacian 0.3459747E-01 (-1/4)Del**2(Rho)) -0.8649369E-02 Diamond 0.9834092E-03 Metallicity 0.7743673E+00 Ellipticity -0.1478529E+01 Gb(Abramov) 0.6882544E-02 Vb(Abramov) -0.5115719E-02 Hb(Abramov) 0.1766825E-02 Ex_ueg -0.1380875E-02 Ec_ueg -0.3225259E-03 Delta_ex -0.1598330E-02 Delta_ec 0.4865547E-03 Delta_et -0.3364029E-02 Pxc 0.4281439E+01 Qxc -0.3284996E+01 3,+1 101 3 -1 -0.558579 2.728204 -1.811637 Rho 0.1358650E+00 |GRAD(Rho)| 0.4070749E-15 GRAD(Rho)x 0.3448169E-15 GRAD(Rho)y -0.9066979E-16 GRAD(Rho)z -0.1964439E-15 Laplacian 0.5730327E+00 (-1/4)Del**2(Rho)) -0.1432582E+00 Diamond 0.1012611E+01 Metallicity 0.4317969E+01 Ellipticity 0.1941326E-01 Gb(Abramov) 0.1986028E+00 Vb(Abramov) -0.2539475E+00 Hb(Abramov) -0.5534466E-01 Ex_ueg -0.5158558E-01 Ec_ueg -0.7544903E-02 Delta_ex -0.5985891E-01 Delta_ec 0.1452114E-01 Delta_et -0.1897585E+00 Pxc 0.6837143E+01 Qxc -0.4122192E+01 3,-1 102 3 -1 -1.626893 -2.743719 -2.391389 Rho 0.2250362E-01 |GRAD(Rho)| 0.3939525E-16 GRAD(Rho)x 0.2465123E-17 GRAD(Rho)y -0.1879442E-16 GRAD(Rho)z 0.3453518E-16 Laplacian 0.7245595E-01 (-1/4)Del**2(Rho)) -0.1811399E-01 Diamond 0.1824827E-01 Metallicity 0.1705924E+01 Ellipticity 0.3694730E-01 Gb(Abramov) 0.1722617E-01 Vb(Abramov) -0.1633836E-01 Hb(Abramov) 0.8878146E-03 Ex_ueg -0.4692326E-02 Ec_ueg -0.9638656E-03 Delta_ex -0.5637645E-02 Delta_ec 0.3471476E-02 Delta_et -0.2918146E-01 Pxc 0.4868237E+01 Qxc -0.1623991E+01 3,-1 103 3 -1 -1.888948 -2.742736 0.567588 Rho 0.1054703E+00 |GRAD(Rho)| 0.2816473E-15 GRAD(Rho)x -0.2424818E-15 GRAD(Rho)y -0.2225664E-16 GRAD(Rho)z -0.1415358E-15 Laplacian 0.4361137E+00 (-1/4)Del**2(Rho)) -0.1090284E+00 Diamond 0.5747947E+00 Metallicity 0.3720180E+01 Ellipticity 0.1765679E-01 Gb(Abramov) 0.1402865E+00 Vb(Abramov) -0.1715446E+00 Hb(Abramov) -0.3125808E-01 Ex_ueg -0.3680375E-01 Ec_ueg -0.5657600E-02 Delta_ex -0.4297559E-01 Delta_ec 0.1191587E-01 Delta_et -0.1494299E+00 Pxc 0.6505188E+01 Qxc -0.3606583E+01 3,-1 104 3 +1 0.477403 -0.758901 -1.759654 Rho 0.6227268E-02 |GRAD(Rho)| 0.2018887E-16 GRAD(Rho)x 0.1386692E-16 GRAD(Rho)y 0.1393999E-16 GRAD(Rho)z -0.4579894E-17 Laplacian 0.2411150E-01 (-1/4)Del**2(Rho)) -0.6027876E-02 Diamond 0.5712793E-03 Metallicity 0.6023998E+00 Ellipticity -0.1810516E+01 Gb(Abramov) 0.4623782E-02 Vb(Abramov) -0.3219689E-02 Hb(Abramov) 0.1404093E-02 Ex_ueg -0.8461522E-03 Ec_ueg -0.2001035E-03 Delta_ex -0.1123926E-02 Delta_ec 0.5314153E-03 Delta_et -0.3171519E-02 Pxc 0.4228572E+01 Qxc -0.2114967E+01 3,+1 105 3 -1 -0.548906 1.765256 -2.776023 Rho 0.1100707E+00 |GRAD(Rho)| 0.2209372E-13 GRAD(Rho)x 0.2166885E-13 GRAD(Rho)y -0.4314379E-15 GRAD(Rho)z 0.4290386E-14 Laplacian 0.4614889E+00 (-1/4)Del**2(Rho)) -0.1153722E+00 Diamond 0.6375082E+00 Metallicity 0.3774895E+01 Ellipticity 0.6472112E-02 Gb(Abramov) 0.1495012E+00 Vb(Abramov) -0.1836301E+00 Hb(Abramov) -0.3412893E-01 Ex_ueg -0.3895957E-01 Ec_ueg -0.5939037E-02 Delta_ex -0.4589333E-01 Delta_ec 0.1241172E-01 Delta_et -0.1567892E+00 Pxc 0.6559913E+01 Qxc -0.3697579E+01 3,-1 106 3 -1 -1.820290 2.725949 -0.555143 Rho 0.1329452E+00 |GRAD(Rho)| 0.8484698E-16 GRAD(Rho)x -0.8447290E-16 GRAD(Rho)y 0.1406075E-17 GRAD(Rho)z -0.7833361E-17 Laplacian 0.5574259E+00 (-1/4)Del**2(Rho)) -0.1393565E+00 Diamond 0.9792041E+00 Metallicity 0.4281018E+01 Ellipticity 0.1118646E-01 Gb(Abramov) 0.1923356E+00 Vb(Abramov) -0.2453147E+00 Hb(Abramov) -0.5297910E-01 Ex_ueg -0.5011278E-01 Ec_ueg -0.7360870E-02 Delta_ex -0.5815014E-01 Delta_ec 0.1460903E-01 Delta_et -0.1910877E+00 Pxc 0.6807997E+01 Qxc -0.3980423E+01 3,-1 107 3 +3 -0.006848 2.272332 -0.020831 Rho 0.4734020E-02 |GRAD(Rho)| 0.3116979E-14 GRAD(Rho)x -0.1453606E-14 GRAD(Rho)y -0.2362140E-14 GRAD(Rho)z 0.1422282E-14 Laplacian 0.1940735E-01 (-1/4)Del**2(Rho)) -0.4851838E-02 Diamond 0.1712839E-03 Metallicity 0.4739113E+00 Ellipticity -0.2957004E+00 Gb(Abramov) 0.3617782E-02 Vb(Abramov) -0.2383726E-02 Hb(Abramov) 0.1234056E-02 Ex_ueg -0.5870727E-03 Ec_ueg -0.1354846E-03 Delta_ex -0.7059026E-03 Delta_ec 0.1666781E-03 Delta_et -0.1071161E-02 Pxc 0.4333131E+01 Qxc -0.4235124E+01 3,+3 108 3 -1 0.238998 -1.128719 -1.931321 Rho 0.6686275E-02 |GRAD(Rho)| 0.1865419E-15 GRAD(Rho)x 0.1665714E-15 GRAD(Rho)y 0.6042766E-16 GRAD(Rho)z 0.5831276E-16 Laplacian 0.2642379E-01 (-1/4)Del**2(Rho)) -0.6605948E-02 Diamond 0.1073022E-02 Metallicity 0.6188591E+00 Ellipticity 0.2638314E+00 Gb(Abramov) 0.5085324E-02 Vb(Abramov) -0.3564700E-02 Hb(Abramov) 0.1520624E-02 Ex_ueg -0.9303165E-03 Ec_ueg -0.2201866E-03 Delta_ex -0.1493306E-02 Delta_ec 0.1014288E-02 Delta_et -0.5938752E-02 Pxc 0.4225128E+01 Qxc -0.1472269E+01 3,-1 109 3 +1 -1.203826 1.254444 2.184032 Rho 0.2845495E-01 |GRAD(Rho)| 0.4698014E-15 GRAD(Rho)x -0.6156866E-16 GRAD(Rho)y 0.1725833E-15 GRAD(Rho)z 0.4325941E-15 Laplacian 0.1150136E+00 (-1/4)Del**2(Rho)) -0.2875341E-01 Diamond 0.1914980E-01 Metallicity 0.1589011E+01 Ellipticity -0.6923312E+01 Gb(Abramov) 0.2678385E-01 Vb(Abramov) -0.2481430E-01 Hb(Abramov) 0.1969554E-02 Ex_ueg -0.6415969E-02 Ec_ueg -0.1264191E-02 Delta_ex -0.7512984E-02 Delta_ec 0.2142830E-02 Delta_et -0.1949135E-01 Pxc 0.5075159E+01 Qxc -0.3506104E+01 3,+1 110 3 +1 0.385735 -1.762636 -0.730548 Rho 0.7297936E-02 |GRAD(Rho)| 0.1400109E-10 GRAD(Rho)x 0.1190891E-10 GRAD(Rho)y -0.6756472E-11 GRAD(Rho)z 0.2925526E-11 Laplacian 0.2778740E-01 (-1/4)Del**2(Rho)) -0.6946850E-02 Diamond 0.7814830E-03 Metallicity 0.6809241E+00 Ellipticity -0.1888548E+01 Gb(Abramov) 0.5419613E-02 Vb(Abramov) -0.3892376E-02 Hb(Abramov) 0.1527237E-02 Ex_ueg -0.1045487E-02 Ec_ueg -0.2471044E-03 Delta_ex -0.1322900E-02 Delta_ec 0.5780469E-03 Delta_et -0.3627945E-02 Pxc 0.4230952E+01 Qxc -0.2288569E+01 3,+1 111 3 -1 0.012455 -3.283560 -1.221409 Rho 0.2862907E-01 |GRAD(Rho)| 0.5412962E-16 GRAD(Rho)x -0.5359227E-16 GRAD(Rho)y -0.4762130E-17 GRAD(Rho)z 0.5933547E-17 Laplacian 0.9174558E-01 (-1/4)Del**2(Rho)) -0.2293639E-01 Diamond 0.3410819E-01 Metallicity 0.2012365E+01 Ellipticity 0.3924864E-02 Gb(Abramov) 0.2298366E-01 Vb(Abramov) -0.2303093E-01 Hb(Abramov) -0.4726846E-04 Ex_ueg -0.6468368E-02 Ec_ueg -0.1273112E-02 Delta_ex -0.7698248E-02 Delta_ec 0.4736447E-02 Delta_et -0.4279308E-01 Pxc 0.5080752E+01 Qxc -0.1625321E+01 3,-1 112 3 +1 -0.185904 -2.289415 -1.117072 Rho 0.7338665E-02 |GRAD(Rho)| 0.3377348E-16 GRAD(Rho)x -0.1931900E-16 GRAD(Rho)y -0.2666225E-16 GRAD(Rho)z -0.7519869E-17 Laplacian 0.2898632E-01 (-1/4)Del**2(Rho)) -0.7246580E-02 Diamond 0.8481981E-03 Metallicity 0.6588429E+00 Ellipticity -0.1844979E+01 Gb(Abramov) 0.5626780E-02 Vb(Abramov) -0.4006979E-02 Hb(Abramov) 0.1619800E-02 Ex_ueg -0.1053274E-02 Ec_ueg -0.2489030E-03 Delta_ex -0.1396681E-02 Delta_ec 0.6296577E-03 Delta_et -0.3942760E-02 Pxc 0.4231663E+01 Qxc -0.2218159E+01 3,+1 113 3 +1 -0.200259 2.895598 0.144454 Rho 0.5607314E-02 |GRAD(Rho)| 0.7690919E-17 GRAD(Rho)x -0.5529776E-17 GRAD(Rho)y -0.8332837E-18 GRAD(Rho)z -0.5279911E-17 Laplacian 0.2319242E-01 (-1/4)Del**2(Rho)) -0.5798105E-02 Diamond 0.6032168E-03 Metallicity 0.5258459E+00 Ellipticity -0.2735738E+01 Gb(Abramov) 0.4373555E-02 Vb(Abramov) -0.2949005E-02 Hb(Abramov) 0.1424550E-02 Ex_ueg -0.7357408E-03 Ec_ueg -0.1731409E-03 Delta_ex -0.1156979E-02 Delta_ec 0.6907865E-03 Delta_et -0.3898542E-02 Pxc 0.4249377E+01 Qxc -0.1674871E+01 3,+1 114 3 +1 0.169355 2.891139 -0.223553 Rho 0.5559257E-02 |GRAD(Rho)| 0.3393528E-15 GRAD(Rho)x 0.2371961E-15 GRAD(Rho)y 0.2567248E-16 GRAD(Rho)z -0.2413282E-15 Laplacian 0.2326937E-01 (-1/4)Del**2(Rho)) -0.5817343E-02 Diamond 0.5773745E-03 Metallicity 0.5166421E+00 Ellipticity -0.2238029E+01 Gb(Abramov) 0.4379142E-02 Vb(Abramov) -0.2940942E-02 Hb(Abramov) 0.1438200E-02 Ex_ueg -0.7273454E-03 Ec_ueg -0.1710587E-03 Delta_ex -0.1141994E-02 Delta_ec 0.6630351E-03 Delta_et -0.3745016E-02 Pxc 0.4252022E+01 Qxc -0.1722374E+01 3,+1 115 3 -1 -0.844686 2.978632 1.979411 Rho 0.1266623E+00 |GRAD(Rho)| 0.2997918E-15 GRAD(Rho)x 0.1700842E-15 GRAD(Rho)y -0.1596081E-15 GRAD(Rho)z 0.1883395E-15 Laplacian 0.4986679E+00 (-1/4)Del**2(Rho)) -0.1246670E+00 Diamond 0.8277471E+00 Metallicity 0.4414494E+01 Ellipticity 0.1855394E-01 Gb(Abramov) 0.1748349E+00 Vb(Abramov) -0.2250028E+00 Hb(Abramov) -0.5016794E-01 Ex_ueg -0.4698022E-01 Ec_ueg -0.6966764E-02 Delta_ex -0.5143325E-01 Delta_ec 0.1324901E-01 Delta_et -0.1719850E+00 Pxc 0.6743478E+01 Qxc -0.3882045E+01 3,-1 116 3 +1 -0.342677 -1.274803 -2.717110 Rho 0.3703517E-02 |GRAD(Rho)| 0.6736561E-14 GRAD(Rho)x -0.4661156E-14 GRAD(Rho)y 0.6406365E-15 GRAD(Rho)z 0.4821251E-14 Laplacian 0.1461030E-01 (-1/4)Del**2(Rho)) -0.3652576E-02 Diamond 0.1678421E-03 Metallicity 0.4181297E+00 Ellipticity -0.1388185E+01 Gb(Abramov) 0.2689593E-02 Vb(Abramov) -0.1726609E-02 Hb(Abramov) 0.9629836E-03 Ex_ueg -0.4231920E-03 Ec_ueg -0.9155372E-04 Delta_ex -0.6035485E-03 Delta_ec 0.3120544E-03 Delta_et -0.1609385E-02 Pxc 0.4622335E+01 Qxc -0.1934113E+01 3,+1 117 3 -1 -0.556446 -0.502253 -0.526931 Rho 0.1927386E+00 |GRAD(Rho)| 0.3229941E-15 GRAD(Rho)x -0.2602085E-15 GRAD(Rho)y -0.1353084E-15 GRAD(Rho)z -0.1353084E-15 Laplacian 0.5314099E+00 (-1/4)Del**2(Rho)) -0.1328525E+00 Diamond 0.1460974E+01 Metallicity 0.8339336E+01 Ellipticity 0.2011922E-01 Gb(Abramov) 0.2732186E+00 Vb(Abramov) -0.4135846E+00 Hb(Abramov) -0.1403661E+00 Ex_ueg -0.8222617E-01 Ec_ueg -0.1123356E-01 Delta_ex -0.6079814E-01 Delta_ec 0.1270968E-01 Delta_et -0.1744175E+00 Pxc 0.7319690E+01 Qxc -0.4783608E+01 3,-1 118 3 -1 -0.520871 1.710010 1.734986 Rho 0.4646038E-01 |GRAD(Rho)| 0.1956297E-15 GRAD(Rho)x -0.1157864E-15 GRAD(Rho)y -0.1178951E-15 GRAD(Rho)z -0.1047149E-15 Laplacian 0.1868139E+00 (-1/4)Del**2(Rho)) -0.4670347E-01 Diamond 0.8477225E-01 Metallicity 0.2214838E+01 Ellipticity 0.1362334E-01 Gb(Abramov) 0.4837575E-01 Vb(Abramov) -0.5004803E-01 Hb(Abramov) -0.1672283E-02 Ex_ueg -0.1233565E-01 Ec_ueg -0.2220172E-02 Delta_ex -0.1505187E-01 Delta_ec 0.5490188E-02 Delta_et -0.5676968E-01 Pxc 0.5556170E+01 Qxc -0.2741594E+01 3,-1 119 3 -1 -0.850981 2.004360 2.999610 Rho 0.1397647E+00 |GRAD(Rho)| 0.2712158E-12 GRAD(Rho)x -0.2013538E-12 GRAD(Rho)y -0.1388603E-12 GRAD(Rho)z 0.1171859E-12 Laplacian 0.5517707E+00 (-1/4)Del**2(Rho)) -0.1379427E+00 Diamond 0.1031760E+01 Metallicity 0.4700927E+01 Ellipticity 0.3417352E-01 Gb(Abramov) 0.2000382E+00 Vb(Abramov) -0.2621337E+00 Hb(Abramov) -0.6209552E-01 Ex_ueg -0.5356917E-01 Ec_ueg -0.7791560E-02 Delta_ex -0.5828958E-01 Delta_ec 0.1433511E-01 Delta_et -0.1890691E+00 Pxc 0.6875282E+01 Qxc -0.4066210E+01 3,-1 120 3 -1 -0.567535 -1.797022 2.776801 Rho 0.1296206E+00 |GRAD(Rho)| 0.6500447E-13 GRAD(Rho)x -0.6229132E-13 GRAD(Rho)y -0.5208290E-14 GRAD(Rho)z -0.1783948E-13 Laplacian 0.5418643E+00 (-1/4)Del**2(Rho)) -0.1354661E+00 Diamond 0.9254262E+00 Metallicity 0.4221946E+01 Ellipticity 0.1214504E-01 Gb(Abramov) 0.1856325E+00 Vb(Abramov) -0.2357988E+00 Hb(Abramov) -0.5016638E-01 Ex_ueg -0.4844888E-01 Ec_ueg -0.7152002E-02 Delta_ex -0.5620771E-01 Delta_ec 0.1433255E-01 Delta_et -0.1867897E+00 Pxc 0.6774171E+01 Qxc -0.3921681E+01 3,-1 121 3 -1 -0.276869 -1.395525 -3.245196 Rho 0.4245210E-02 |GRAD(Rho)| 0.2412169E-15 GRAD(Rho)x -0.1011734E-15 GRAD(Rho)y 0.6419491E-16 GRAD(Rho)z 0.2093527E-15 Laplacian 0.1618159E-01 (-1/4)Del**2(Rho)) -0.4045397E-02 Diamond 0.4450167E-03 Metallicity 0.4739771E+00 Ellipticity 0.7289771E-01 Gb(Abramov) 0.3016502E-02 Vb(Abramov) -0.1987608E-02 Hb(Abramov) 0.1028895E-02 Ex_ueg -0.5076729E-03 Ec_ueg -0.1145771E-03 Delta_ex -0.9440078E-03 Delta_ec 0.8026600E-03 Delta_et -0.4029465E-02 Pxc 0.4430840E+01 Qxc -0.1176099E+01 3,-1 122 3 -1 -0.044523 3.157288 -3.183040 Rho 0.2384142E+00 |GRAD(Rho)| 0.5680794E-10 GRAD(Rho)x -0.1098322E-10 GRAD(Rho)y 0.3851463E-10 GRAD(Rho)z -0.4028813E-10 Laplacian 0.8615778E+00 (-1/4)Del**2(Rho)) -0.2153944E+00 Diamond 0.3029869E+01 Metallicity 0.7331716E+01 Ellipticity 0.1900225E-02 Gb(Abramov) 0.4067981E+00 Vb(Abramov) -0.5982018E+00 Hb(Abramov) -0.1914037E+00 Ex_ueg -0.1091846E+00 Ec_ueg -0.1432956E-01 Delta_ex -0.1039533E+00 Delta_ec 0.1913682E-01 Delta_et -0.2653080E+00 Pxc 0.7619533E+01 Qxc -0.5432109E+01 3,-1 123 3 -1 0.867800 1.952144 -2.975796 Rho 0.1252476E+00 |GRAD(Rho)| 0.7533675E-14 GRAD(Rho)x -0.5128229E-14 GRAD(Rho)y 0.5026693E-14 GRAD(Rho)z 0.2278132E-14 Laplacian 0.4886917E+00 (-1/4)Del**2(Rho)) -0.1221729E+00 Diamond 0.7900698E+00 Metallicity 0.4421068E+01 Ellipticity 0.4597957E-01 Gb(Abramov) 0.1714711E+00 Vb(Abramov) -0.2207692E+00 Hb(Abramov) -0.4929815E-01 Ex_ueg -0.4628187E-01 Ec_ueg -0.6878385E-02 Delta_ex -0.5013899E-01 Delta_ec 0.1278682E-01 Delta_et -0.1652665E+00 Pxc 0.6728595E+01 Qxc -0.3921146E+01 3,-1 124 3 -1 0.438490 0.418711 -0.497231 Rho 0.1824974E+00 |GRAD(Rho)| 0.2443481E-13 GRAD(Rho)x -0.1534189E-13 GRAD(Rho)y -0.1431147E-13 GRAD(Rho)z 0.1252470E-13 Laplacian 0.4911567E+00 (-1/4)Del**2(Rho)) -0.1227892E+00 Diamond 0.1286049E+01 Metallicity 0.8237983E+01 Ellipticity 0.2230228E-02 Gb(Abramov) 0.2504486E+00 Vb(Abramov) -0.3781081E+00 Hb(Abramov) -0.1276595E+00 Ex_ueg -0.7645290E-01 Ec_ueg -0.1055535E-01 Delta_ex -0.5558731E-01 Delta_ec 0.1221279E-01 Delta_et -0.1675878E+00 Pxc 0.7243045E+01 Qxc -0.4551565E+01 3,-1 125 3 +3 1.098547 1.051518 1.094272 Rho 0.4654409E-02 |GRAD(Rho)| 0.1728214E-15 GRAD(Rho)x 0.7848685E-17 GRAD(Rho)y 0.1043291E-15 GRAD(Rho)z 0.1375539E-15 Laplacian 0.1823158E-01 (-1/4)Del**2(Rho)) -0.4557894E-02 Diamond 0.1229265E-03 Metallicity 0.4904144E+00 Ellipticity -0.2544860E+00 Gb(Abramov) 0.3411139E-02 Vb(Abramov) -0.2264384E-02 Hb(Abramov) 0.1146755E-02 Ex_ueg -0.5739462E-03 Ec_ueg -0.1320711E-03 Delta_ex -0.6251782E-03 Delta_ec 0.9399076E-04 Delta_et -0.6950953E-03 Pxc 0.4345737E+01 Qxc -0.6651486E+01 3,+3 126 3 +1 1.673180 0.477198 0.568830 Rho 0.7599011E-02 |GRAD(Rho)| 0.1189825E-14 GRAD(Rho)x -0.7532716E-15 GRAD(Rho)y -0.9546071E-16 GRAD(Rho)z -0.9160526E-15 Laplacian 0.2977452E-01 (-1/4)Del**2(Rho)) -0.7443629E-02 Diamond 0.6901392E-03 Metallicity 0.6797725E+00 Ellipticity -0.1418242E+01 Gb(Abramov) 0.5805749E-02 Vb(Abramov) -0.4167868E-02 Hb(Abramov) 0.1637881E-02 Ex_ueg -0.1103387E-02 Ec_ueg -0.2604182E-03 Delta_ex -0.1327480E-02 Delta_ec 0.4350049E-03 Delta_et -0.2866278E-02 Pxc 0.4236982E+01 Qxc -0.3051643E+01 3,+1 127 3 -1 -0.501511 0.428073 0.446014 Rho 0.1776886E+00 |GRAD(Rho)| 0.5932653E-15 GRAD(Rho)x 0.3538836E-15 GRAD(Rho)y -0.3261280E-15 GRAD(Rho)z -0.3469447E-15 Laplacian 0.4719906E+00 (-1/4)Del**2(Rho)) -0.1179977E+00 Diamond 0.1196756E+01 Metallicity 0.8199347E+01 Ellipticity 0.3611033E-02 Gb(Abramov) 0.2399157E+00 Vb(Abramov) -0.3618338E+00 Hb(Abramov) -0.1219181E+00 Ex_ueg -0.7377875E-01 Ec_ueg -0.1023896E-01 Delta_ex -0.5306154E-01 Delta_ec 0.1181637E-01 Delta_et -0.1616508E+00 Pxc 0.7205685E+01 Qxc -0.4490510E+01 3,-1 128 3 +1 1.674934 -0.553621 -0.527755 Rho 0.8699458E-02 |GRAD(Rho)| 0.1263242E-16 GRAD(Rho)x 0.8476226E-17 GRAD(Rho)y -0.8683367E-17 GRAD(Rho)z -0.3511511E-17 Laplacian 0.3429162E-01 (-1/4)Del**2(Rho)) -0.8572904E-02 Diamond 0.9035074E-03 Metallicity 0.7394557E+00 Ellipticity -0.1404568E+01 Gb(Abramov) 0.6771817E-02 Vb(Abramov) -0.4970729E-02 Hb(Abramov) 0.1801088E-02 Ex_ueg -0.1321421E-02 Ec_ueg -0.3094323E-03 Delta_ex -0.1558420E-02 Delta_ec 0.4598208E-03 Delta_et -0.3170549E-02 Pxc 0.4270469E+01 Qxc -0.3389189E+01 3,+1 129 3 -1 -0.081629 -3.209611 3.169212 Rho 0.2475532E+00 |GRAD(Rho)| 0.3919765E-09 GRAD(Rho)x -0.7121186E-10 GRAD(Rho)y -0.2684395E-09 GRAD(Rho)z 0.2766129E-09 Laplacian 0.9111153E+00 (-1/4)Del**2(Rho)) -0.2277788E+00 Diamond 0.3327053E+01 Metallicity 0.7381659E+01 Ellipticity 0.3861179E-02 Gb(Abramov) 0.4320835E+00 Vb(Abramov) -0.6363882E+00 Hb(Abramov) -0.2043047E+00 Ex_ueg -0.1148003E+00 Ec_ueg -0.1496280E-01 Delta_ex -0.1108866E+00 Delta_ec 0.1977981E-01 Delta_et -0.2734937E+00 Pxc 0.7672379E+01 Qxc -0.5606050E+01 3,-1 130 3 -1 0.860621 -2.992157 1.991059 Rho 0.1485384E+00 |GRAD(Rho)| 0.1584011E-11 GRAD(Rho)x -0.1199530E-11 GRAD(Rho)y 0.6463621E-12 GRAD(Rho)z 0.8077341E-12 Laplacian 0.5833508E+00 (-1/4)Del**2(Rho)) -0.1458377E+00 Diamond 0.1169820E+01 Metallicity 0.4921318E+01 Ellipticity 0.5325882E-01 Gb(Abramov) 0.2168441E+00 Vb(Abramov) -0.2878504E+00 Hb(Abramov) -0.7100637E-01 Ex_ueg -0.5809920E-01 Ec_ueg -0.8350018E-02 Delta_ex -0.6251082E-01 Delta_ec 0.1486364E-01 Delta_et -0.1976542E+00 Pxc 0.6957973E+01 Qxc -0.4205619E+01 3,-1 131 3 +1 0.335677 -1.597839 -1.636140 Rho 0.5997300E-02 |GRAD(Rho)| 0.5314649E-17 GRAD(Rho)x -0.5258141E-17 GRAD(Rho)y 0.7368900E-18 GRAD(Rho)z -0.2333150E-18 Laplacian 0.2361602E-01 (-1/4)Del**2(Rho)) -0.5904004E-02 Diamond 0.5391605E-03 Metallicity 0.5776519E+00 Ellipticity -0.1762036E+01 Gb(Abramov) 0.4504412E-02 Vb(Abramov) -0.3104821E-02 Hb(Abramov) 0.1399591E-02 Ex_ueg -0.8047471E-03 Ec_ueg -0.1900800E-03 Delta_ex -0.1097042E-02 Delta_ec 0.5300427E-03 Delta_et -0.3124114E-02 Pxc 0.4233729E+01 Qxc -0.2069724E+01 3,+1 132 3 -1 0.499406 -1.760559 1.683731 Rho 0.5121758E-01 |GRAD(Rho)| 0.6944298E-12 GRAD(Rho)x -0.2369165E-12 GRAD(Rho)y -0.4562668E-12 GRAD(Rho)z 0.4668232E-12 Laplacian 0.2074388E+00 (-1/4)Del**2(Rho)) -0.5185969E-01 Diamond 0.1077847E+00 Metallicity 0.2346506E+01 Ellipticity 0.1503731E-01 Gb(Abramov) 0.5485464E-01 Vb(Abramov) -0.5784959E-01 Hb(Abramov) -0.2994952E-02 Ex_ueg -0.1404787E-01 Ec_ueg -0.2482287E-02 Delta_ex -0.1714241E-01 Delta_ec 0.6115050E-02 Delta_et -0.6486780E-01 Pxc 0.5659245E+01 Qxc -0.2803315E+01 3,-1 133 3 -1 0.816732 -1.977641 2.983719 Rho 0.1265589E+00 |GRAD(Rho)| 0.3362154E-13 GRAD(Rho)x -0.2289680E-13 GRAD(Rho)y -0.2102855E-13 GRAD(Rho)z -0.1280409E-13 Laplacian 0.4979643E+00 (-1/4)Del**2(Rho)) -0.1244911E+00 Diamond 0.8268315E+00 Metallicity 0.4414716E+01 Ellipticity 0.2361165E-01 Gb(Abramov) 0.1745929E+00 Vb(Abramov) -0.2246946E+00 Hb(Abramov) -0.5010177E-01 Ex_ueg -0.4692908E-01 Ec_ueg -0.6960298E-02 Delta_ex -0.5136391E-01 Delta_ec 0.1325660E-01 Delta_et -0.1721021E+00 Pxc 0.6742394E+01 Qxc -0.3874593E+01 3,-1 134 3 -1 0.544139 1.698502 -1.719782 Rho 0.4567515E-01 |GRAD(Rho)| 0.1912553E-15 GRAD(Rho)x -0.4823059E-16 GRAD(Rho)y 0.1479832E-15 GRAD(Rho)z -0.1111458E-15 Laplacian 0.1900330E+00 (-1/4)Del**2(Rho)) -0.4750824E-01 Diamond 0.8676707E-01 Metallicity 0.2116334E+01 Ellipticity 0.7631279E-02 Gb(Abramov) 0.4842938E-01 Vb(Abramov) -0.4935052E-01 Hb(Abramov) -0.9211382E-03 Ex_ueg -0.1205846E-01 Ec_ueg -0.2177245E-02 Delta_ex -0.1536790E-01 Delta_ec 0.5803383E-02 Delta_et -0.5978595E-01 Pxc 0.5538402E+01 Qxc -0.2648093E+01 3,-1 135 3 +1 1.145411 1.281256 -2.169257 Rho 0.2808132E-01 |GRAD(Rho)| 0.2290733E-16 GRAD(Rho)x 0.3343033E-17 GRAD(Rho)y -0.4267480E-17 GRAD(Rho)z 0.2225665E-16 Laplacian 0.1145666E+00 (-1/4)Del**2(Rho)) -0.2864166E-01 Diamond 0.1881190E-01 Metallicity 0.1560454E+01 Ellipticity -0.6139307E+01 Gb(Abramov) 0.2654344E-01 Vb(Abramov) -0.2444521E-01 Hb(Abramov) 0.2098223E-02 Ex_ueg -0.6303887E-02 Ec_ueg -0.1245071E-02 Delta_ex -0.7465037E-02 Delta_ec 0.2147806E-02 Delta_et -0.1947101E-01 Pxc 0.5063075E+01 Qxc -0.3475656E+01 3,+1 136 3 -1 0.574236 1.812494 2.776259 Rho 0.1660369E+00 |GRAD(Rho)| 0.6428222E-15 GRAD(Rho)x 0.5738953E-15 GRAD(Rho)y 0.1808449E-15 GRAD(Rho)z -0.2261849E-15 Laplacian 0.6949481E+00 (-1/4)Del**2(Rho)) -0.1737370E+00 Diamond 0.1578304E+01 Metallicity 0.4973571E+01 Ellipticity 0.2155534E-01 Gb(Abramov) 0.2598402E+00 Vb(Abramov) -0.3459435E+00 Hb(Abramov) -0.8610322E-01 Ex_ueg -0.6739966E-01 Ec_ueg -0.9477886E-02 Delta_ex -0.7641985E-01 Delta_ec 0.1698869E-01 Delta_et -0.2286345E+00 Pxc 0.7111255E+01 Qxc -0.4498277E+01 3,-1 137 3 -1 0.552169 2.787438 1.785466 Rho 0.1416319E+00 |GRAD(Rho)| 0.3374980E-12 GRAD(Rho)x -0.2075856E-12 GRAD(Rho)y -0.8298542E-13 GRAD(Rho)z 0.2528369E-12 Laplacian 0.5923394E+00 (-1/4)Del**2(Rho)) -0.1480848E+00 Diamond 0.1124609E+01 Metallicity 0.4476904E+01 Ellipticity 0.8817704E-02 Gb(Abramov) 0.2092168E+00 Vb(Abramov) -0.2703488E+00 Hb(Abramov) -0.6113198E-01 Ex_ueg -0.5452553E-01 Ec_ueg -0.7910007E-02 Delta_ex -0.6276903E-01 Delta_ec 0.1532394E-01 Delta_et -0.2024843E+00 Pxc 0.6893234E+01 Qxc -0.4096142E+01 3,-1 138 3 -1 -0.045815 2.897046 -0.010940 Rho 0.5642915E-02 |GRAD(Rho)| 0.9785063E-17 GRAD(Rho)x -0.6841239E-17 GRAD(Rho)y -0.2992248E-18 GRAD(Rho)z -0.6989663E-17 Laplacian 0.2268991E-01 (-1/4)Del**2(Rho)) -0.5672478E-02 Diamond 0.7243175E-03 Metallicity 0.5431914E+00 Ellipticity 0.2407446E+01 Gb(Abramov) 0.4295192E-02 Vb(Abramov) -0.2917906E-02 Hb(Abramov) 0.1377286E-02 Ex_ueg -0.7419758E-03 Ec_ueg -0.1746841E-03 Delta_ex -0.1235384E-02 Delta_ec 0.8580014E-03 Delta_et -0.4774692E-02 Pxc 0.4247529E+01 Qxc -0.1439839E+01 3,-1 139 3 -1 0.084256 3.202056 3.194126 Rho 0.2480927E+00 |GRAD(Rho)| 0.1442144E-10 GRAD(Rho)x -0.2561252E-11 GRAD(Rho)y -0.1024570E-10 GRAD(Rho)z -0.9820575E-11 Laplacian 0.9045642E+00 (-1/4)Del**2(Rho)) -0.2261411E+00 Diamond 0.3317694E+01 Metallicity 0.7462147E+01 Ellipticity 0.3482498E-02 Gb(Abramov) 0.4320103E+00 Vb(Abramov) -0.6378796E+00 Hb(Abramov) -0.2058693E+00 Ex_ueg -0.1151340E+00 Ec_ueg -0.1500033E-01 Delta_ex -0.1101822E+00 Delta_ec 0.1967824E-01 Delta_et -0.2723509E+00 Pxc 0.7675433E+01 Qxc -0.5599190E+01 3,-1 140 3 -1 0.416093 -0.528121 0.420154 Rho 0.1822089E+00 |GRAD(Rho)| 0.4201470E-15 GRAD(Rho)x -0.3191891E-15 GRAD(Rho)y 0.1769418E-15 GRAD(Rho)z -0.2081668E-15 Laplacian 0.4891196E+00 (-1/4)Del**2(Rho)) -0.1222799E+00 Diamond 0.1279479E+01 Metallicity 0.8250509E+01 Ellipticity 0.3586238E-02 Gb(Abramov) 0.2496652E+00 Vb(Abramov) -0.3770505E+00 Hb(Abramov) -0.1273853E+00 Ex_ueg -0.7629180E-01 Ec_ueg -0.1053634E-01 Delta_ex -0.5534400E-01 Delta_ec 0.1218355E-01 Delta_et -0.1672053E+00 Pxc 0.7240829E+01 Qxc -0.4542517E+01 3,-1 141 3 +1 1.327657 -2.199197 1.090215 Rho 0.3007508E-01 |GRAD(Rho)| 0.1329305E-13 GRAD(Rho)x 0.9439494E-14 GRAD(Rho)y -0.3510767E-14 GRAD(Rho)z -0.8676151E-14 Laplacian 0.1214071E+00 (-1/4)Del**2(Rho)) -0.3035177E-01 Diamond 0.2080070E-01 Metallicity 0.1650873E+01 Ellipticity -0.4951894E+01 Gb(Abramov) 0.2858567E-01 Vb(Abramov) -0.2681957E-01 Hb(Abramov) 0.1766102E-02 Ex_ueg -0.6907604E-02 Ec_ueg -0.1347481E-02 Delta_ex -0.7962242E-02 Delta_ec 0.2108356E-02 Delta_et -0.1945331E-01 Pxc 0.5126311E+01 Qxc -0.3776517E+01 3,+1 142 3 +1 1.351565 -1.087333 2.143952 Rho 0.2596502E-01 |GRAD(Rho)| 0.5563336E-15 GRAD(Rho)x 0.4260553E-15 GRAD(Rho)y 0.2433707E-15 GRAD(Rho)z 0.2622110E-15 Laplacian 0.1026984E+00 (-1/4)Del**2(Rho)) -0.2567460E-01 Diamond 0.1390324E-01 Metallicity 0.1527674E+01 Ellipticity -0.3378339E+01 Gb(Abramov) 0.2365347E-01 Vb(Abramov) -0.2163234E-01 Hb(Abramov) 0.2021131E-02 Ex_ueg -0.5678539E-02 Ec_ueg -0.1137423E-02 Delta_ex -0.6426741E-02 Delta_ec 0.1697069E-02 Delta_et -0.1512868E-01 Pxc 0.4992459E+01 Qxc -0.3786964E+01 3,+1 143 3 +1 1.732187 1.782316 1.747960 Rho 0.1231709E-01 |GRAD(Rho)| 0.2022111E-14 GRAD(Rho)x -0.1627585E-14 GRAD(Rho)y 0.1090330E-14 GRAD(Rho)z 0.5010783E-15 Laplacian 0.6156140E-01 (-1/4)Del**2(Rho)) -0.1539035E-01 Diamond 0.2554638E-02 Metallicity 0.7353348E+00 Ellipticity -0.1271709E+01 Gb(Abramov) 0.1214641E-01 Vb(Abramov) -0.8902469E-02 Hb(Abramov) 0.3243940E-02 Ex_ueg -0.2100855E-02 Ec_ueg -0.4742269E-03 Delta_ex -0.3046371E-02 Delta_ec 0.7980772E-03 Delta_et -0.6023246E-02 Pxc 0.4430063E+01 Qxc -0.3817139E+01 3,+1 144 3 -1 1.203645 -2.320181 -1.997256 Rho 0.4751986E-01 |GRAD(Rho)| 0.3358583E-13 GRAD(Rho)x -0.5265693E-14 GRAD(Rho)y -0.5668068E-14 GRAD(Rho)z 0.3268262E-13 Laplacian 0.1266291E+00 (-1/4)Del**2(Rho)) -0.3165728E-01 Diamond 0.9370275E-01 Metallicity 0.3392643E+01 Ellipticity 0.1399532E-01 Gb(Abramov) 0.3900516E-01 Vb(Abramov) -0.4635304E-01 Hb(Abramov) -0.7347881E-02 Ex_ueg -0.1271214E-01 Ec_ueg -0.2278246E-02 Delta_ex -0.1184979E-01 Delta_ec 0.6558034E-02 Delta_et -0.6891104E-01 Pxc 0.5579790E+01 Qxc -0.1806912E+01 3,-1 145 3 -1 1.210375 -1.800512 -2.570665 Rho 0.3060260E+00 |GRAD(Rho)| 0.6594229E-15 GRAD(Rho)x -0.3241595E-17 GRAD(Rho)y 0.1889731E-16 GRAD(Rho)z 0.6591441E-15 Laplacian -0.1524603E+01 (-1/4)Del**2(Rho)) 0.3811508E+00 Diamond 0.5157573E+01 Metallicity -0.6281359E+01 Ellipticity 0.3299593E-02 Gb(Abramov) 0.1449236E+00 Vb(Abramov) -0.6709980E+00 Hb(Abramov) -0.5260744E+00 Ex_ueg -0.1523104E+00 Ec_ueg -0.1912284E-01 Delta_ex 0.1487674E+00 Delta_ec 0.5393735E-01 Delta_et -0.1254423E+01 Pxc 0.7964843E+01 Qxc 0.2758151E+01 3,-1 146 3 +3 2.318229 -0.019257 0.084121 Rho 0.4410744E-02 |GRAD(Rho)| 0.3879223E-17 GRAD(Rho)x -0.2635286E-17 GRAD(Rho)y -0.2846582E-17 GRAD(Rho)z -0.2461304E-19 Laplacian 0.1805364E-01 (-1/4)Del**2(Rho)) -0.4513409E-02 Diamond 0.1478342E-03 Metallicity 0.4527950E+00 Ellipticity -0.3516052E+00 Gb(Abramov) 0.3349547E-02 Vb(Abramov) -0.2185686E-02 Hb(Abramov) 0.1163862E-02 Ex_ueg -0.5342373E-03 Ec_ueg -0.1216435E-03 Delta_ex -0.6481856E-03 Delta_ec 0.1611149E-03 Delta_et -0.1009273E-02 Pxc 0.4391827E+01 Qxc -0.4023126E+01 3,+3 147 3 -1 0.861549 2.966914 -1.988021 Rho 0.1471475E+00 |GRAD(Rho)| 0.3961925E-15 GRAD(Rho)x -0.2754958E-15 GRAD(Rho)y -0.8343613E-16 GRAD(Rho)z -0.2722296E-15 Laplacian 0.5773581E+00 (-1/4)Del**2(Rho)) -0.1443395E+00 Diamond 0.1131460E+01 Metallicity 0.4895038E+01 Ellipticity 0.6823148E-01 Gb(Abramov) 0.2139843E+00 Vb(Abramov) -0.2836290E+00 Hb(Abramov) -0.6964474E-01 Ex_ueg -0.5737494E-01 Ec_ueg -0.8261164E-02 Delta_ex -0.6158980E-01 Delta_ec 0.1450191E-01 Delta_et -0.1920417E+00 Pxc 0.6945140E+01 Qxc -0.4247012E+01 3,-1 148 3 -1 1.761501 0.510928 -1.725233 Rho 0.4450308E-01 |GRAD(Rho)| 0.1215915E-15 GRAD(Rho)x 0.1083194E-15 GRAD(Rho)y -0.4657771E-16 GRAD(Rho)z -0.2969698E-16 Laplacian 0.1778546E+00 (-1/4)Del**2(Rho)) -0.4446366E-01 Diamond 0.7569955E-01 Metallicity 0.2165367E+01 Ellipticity 0.1734248E-01 Gb(Abramov) 0.4568913E-01 Vb(Abramov) -0.4691460E-01 Hb(Abramov) -0.1225467E-02 Ex_ueg -0.1164766E-01 Ec_ueg -0.2113356E-02 Delta_ex -0.1415506E-01 Delta_ec 0.5190850E-02 Delta_et -0.5306096E-01 Pxc 0.5511448E+01 Qxc -0.2726925E+01 3,-1 149 3 -1 1.821652 0.536937 2.785004 Rho 0.1050776E+00 |GRAD(Rho)| 0.3092426E-15 GRAD(Rho)x -0.2156478E-15 GRAD(Rho)y 0.2018920E-15 GRAD(Rho)z 0.9146939E-16 Laplacian 0.4407170E+00 (-1/4)Del**2(Rho)) -0.1101792E+00 Diamond 0.5782659E+00 Metallicity 0.3658503E+01 Ellipticity 0.1291635E-01 Gb(Abramov) 0.1406347E+00 Vb(Abramov) -0.1710901E+00 Hb(Abramov) -0.3045543E-01 Ex_ueg -0.3662113E-01 Ec_ueg -0.5633647E-02 Delta_ex -0.4339132E-01 Delta_ec 0.1205204E-01 Delta_et -0.1510305E+00 Pxc 0.6500431E+01 Qxc -0.3600330E+01 3,-1 150 3 +1 1.897881 -1.783976 -1.722552 Rho 0.1446899E-01 |GRAD(Rho)| 0.2160249E-16 GRAD(Rho)x -0.1470725E-16 GRAD(Rho)y -0.1581713E-16 GRAD(Rho)z 0.4274201E-18 Laplacian 0.6834538E-01 (-1/4)Del**2(Rho)) -0.1708635E-01 Diamond 0.3551874E-02 Metallicity 0.8662325E+00 Ellipticity -0.1394424E+01 Gb(Abramov) 0.1385769E-01 Vb(Abramov) -0.1062903E-01 Hb(Abramov) 0.3228657E-02 Ex_ueg -0.2603971E-02 Ec_ueg -0.5747131E-03 Delta_ex -0.3533139E-02 Delta_ec 0.8914980E-03 Delta_et -0.6991721E-02 Pxc 0.4530905E+01 Qxc -0.3963148E+01 3,+1 151 3 -1 1.676342 -1.776270 0.465418 Rho 0.4769014E-01 |GRAD(Rho)| 0.8195907E-16 GRAD(Rho)x -0.4643689E-16 GRAD(Rho)y 0.5851897E-16 GRAD(Rho)z 0.3371106E-16 Laplacian 0.1903907E+00 (-1/4)Del**2(Rho)) -0.4759768E-01 Diamond 0.8999045E-01 Metallicity 0.2269943E+01 Ellipticity 0.1252209E-01 Gb(Abramov) 0.4973912E-01 Vb(Abramov) -0.5188057E-01 Hb(Abramov) -0.2141447E-02 Ex_ueg -0.1277291E-01 Ec_ueg -0.2287597E-02 Delta_ex -0.1546276E-01 Delta_ec 0.5632816E-02 Delta_et -0.5865490E-01 Pxc 0.5583550E+01 Qxc -0.2745121E+01 3,-1 152 3 -1 -0.595713 -2.770383 1.797173 Rho 0.1630135E+00 |GRAD(Rho)| 0.3945995E-15 GRAD(Rho)x -0.8115253E-16 GRAD(Rho)y -0.3132667E-16 GRAD(Rho)z 0.3848918E-15 Laplacian 0.6834828E+00 (-1/4)Del**2(Rho)) -0.1708707E+00 Diamond 0.1516152E+01 Metallicity 0.4904465E+01 Ellipticity 0.2556428E-01 Gb(Abramov) 0.2535854E+00 Vb(Abramov) -0.3363000E+00 Hb(Abramov) -0.8271466E-01 Ex_ueg -0.6576830E-01 Ec_ueg -0.9281706E-02 Delta_ex -0.7479556E-01 Delta_ec 0.1675198E-01 Delta_et -0.2248614E+00 Pxc 0.7085798E+01 Qxc -0.4464879E+01 3,-1 153 3 +1 2.958880 -0.149435 0.229922 Rho 0.5199886E-02 |GRAD(Rho)| 0.1319311E-16 GRAD(Rho)x -0.2403076E-18 GRAD(Rho)y -0.7625500E-17 GRAD(Rho)z -0.1076347E-16 Laplacian 0.2146732E-01 (-1/4)Del**2(Rho)) -0.5366830E-02 Diamond 0.4903240E-03 Metallicity 0.5009854E+00 Ellipticity -0.2192985E+01 Gb(Abramov) 0.4026004E-02 Vb(Abramov) -0.2685178E-02 Hb(Abramov) 0.1340826E-02 Ex_ueg -0.6653398E-03 Ec_ueg -0.1555248E-03 Delta_ex -0.1042512E-02 Delta_ec 0.6171646E-03 Delta_et -0.3415070E-02 Pxc 0.4278029E+01 Qxc -0.1689197E+01 3,+1 154 3 -1 1.977859 -0.866106 3.018322 Rho 0.1456490E+00 |GRAD(Rho)| 0.8922816E-15 GRAD(Rho)x 0.2870967E-15 GRAD(Rho)y 0.8227468E-15 GRAD(Rho)z -0.1919106E-15 Laplacian 0.5673434E+00 (-1/4)Del**2(Rho)) -0.1418359E+00 Diamond 0.1102223E+01 Metallicity 0.4897185E+01 Ellipticity 0.5421196E-01 Gb(Abramov) 0.2103233E+00 Vb(Abramov) -0.2788108E+00 Hb(Abramov) -0.6848745E-01 Ex_ueg -0.5659724E-01 Ec_ueg -0.8165574E-02 Delta_ex -0.6041061E-01 Delta_ec 0.1436016E-01 Delta_et -0.1900578E+00 Pxc 0.6931201E+01 Qxc -0.4206820E+01 3,-1 155 3 -1 1.990231 2.967495 -0.833005 Rho 0.1231649E+00 |GRAD(Rho)| 0.1706411E-13 GRAD(Rho)x -0.8705676E-14 GRAD(Rho)y -0.1446378E-13 GRAD(Rho)z -0.2488800E-14 Laplacian 0.4851302E+00 (-1/4)Del**2(Rho)) -0.1212826E+00 Diamond 0.7807653E+00 Metallicity 0.4330783E+01 Ellipticity 0.1852975E-01 Gb(Abramov) 0.1683964E+00 Vb(Abramov) -0.2155103E+00 Hb(Abramov) -0.4711389E-01 Ex_ueg -0.4525859E-01 Ec_ueg -0.6748526E-02 Delta_ex -0.4973026E-01 Delta_ec 0.1302419E-01 Delta_et -0.1683511E+00 Pxc 0.6706440E+01 Qxc -0.3818300E+01 3,-1 156 3 -1 2.838977 -0.549387 -1.780519 Rho 0.1393651E+00 |GRAD(Rho)| 0.9353398E-13 GRAD(Rho)x -0.6213962E-14 GRAD(Rho)y 0.6781526E-13 GRAD(Rho)z -0.6411772E-13 Laplacian 0.5750331E+00 (-1/4)Del**2(Rho)) -0.1437583E+00 Diamond 0.1068372E+01 Metallicity 0.4489282E+01 Ellipticity 0.1700713E-01 Gb(Abramov) 0.2034008E+00 Vb(Abramov) -0.2630432E+00 Hb(Abramov) -0.5964248E-01 Ex_ueg -0.5336506E-01 Ec_ueg -0.7766241E-02 Delta_ex -0.6066968E-01 Delta_ec 0.1488719E-01 Delta_et -0.1961358E+00 Pxc 0.6871414E+01 Qxc -0.4075295E+01 3,-1 157 3 -1 2.029014 0.825820 -2.989686 Rho 0.1448364E+00 |GRAD(Rho)| 0.7423834E-13 GRAD(Rho)x 0.2006480E-13 GRAD(Rho)y 0.7147211E-13 GRAD(Rho)z 0.6870725E-15 Laplacian 0.5682225E+00 (-1/4)Del**2(Rho)) -0.1420556E+00 Diamond 0.1112393E+01 Metallicity 0.4844222E+01 Ellipticity 0.3798955E-01 Gb(Abramov) 0.2093953E+00 Vb(Abramov) -0.2767349E+00 Hb(Abramov) -0.6733962E-01 Ex_ueg -0.5617656E-01 Ec_ueg -0.8113790E-02 Delta_ex -0.6058676E-01 Delta_ec 0.1469783E-01 Delta_et -0.1950261E+00 Pxc 0.6923591E+01 Qxc -0.4122156E+01 3,-1 158 3 +1 2.177403 1.182947 -1.237596 Rho 0.2796039E-01 |GRAD(Rho)| 0.1399471E-14 GRAD(Rho)x 0.1207852E-14 GRAD(Rho)y -0.5516891E-16 GRAD(Rho)z -0.7046761E-15 Laplacian 0.1142552E+00 (-1/4)Del**2(Rho)) -0.2856380E-01 Diamond 0.1911437E-01 Metallicity 0.1553493E+01 Ellipticity -0.8776533E+01 Gb(Abramov) 0.2643814E-01 Vb(Abramov) -0.2431249E-01 Hb(Abramov) 0.2125657E-02 Ex_ueg -0.6267717E-02 Ec_ueg -0.1238890E-02 Delta_ex -0.7479700E-02 Delta_ec 0.2219568E-02 Delta_et -0.2008961E-01 Pxc 0.5059140E+01 Qxc -0.3369889E+01 3,+1 159 3 -1 1.731206 1.696409 -0.505083 Rho 0.4381378E-01 |GRAD(Rho)| 0.1280329E-15 GRAD(Rho)x 0.1187968E-15 GRAD(Rho)y 0.4671683E-16 GRAD(Rho)z 0.9863487E-17 Laplacian 0.1741664E+00 (-1/4)Del**2(Rho)) -0.4354159E-01 Diamond 0.7263263E-01 Metallicity 0.2154435E+01 Ellipticity 0.1610324E-01 Gb(Abramov) 0.4466232E-01 Vb(Abramov) -0.4578304E-01 Hb(Abramov) -0.1120722E-02 Ex_ueg -0.1140773E-01 Ec_ueg -0.2075889E-02 Delta_ex -0.1381048E-01 Delta_ec 0.5089285E-02 Delta_et -0.5180940E-01 Pxc 0.5495347E+01 Qxc -0.2713638E+01 3,-1 160 3 +1 1.312219 2.141074 -1.135930 Rho 0.2740730E-01 |GRAD(Rho)| 0.2748421E-16 GRAD(Rho)x 0.1069616E-16 GRAD(Rho)y 0.2219930E-16 GRAD(Rho)z -0.1217232E-16 Laplacian 0.1100445E+00 (-1/4)Del**2(Rho)) -0.2751111E-01 Diamond 0.1739350E-01 Metallicity 0.1560110E+01 Ellipticity -0.6208023E+01 Gb(Abramov) 0.2549414E-01 Vb(Abramov) -0.2347716E-01 Hb(Abramov) 0.2016976E-02 Ex_ueg -0.6102952E-02 Ec_ueg -0.1210665E-02 Delta_ex -0.7116500E-02 Delta_ec 0.2048917E-02 Delta_et -0.1846460E-01 Pxc 0.5040991E+01 Qxc -0.3473299E+01 3,+1 161 3 -1 2.785769 0.543575 1.852419 Rho 0.1122697E+00 |GRAD(Rho)| 0.4975011E-16 GRAD(Rho)x 0.1686612E-16 GRAD(Rho)y 0.4454038E-16 GRAD(Rho)z 0.1437923E-16 Laplacian 0.4693550E+00 (-1/4)Del**2(Rho)) -0.1173388E+00 Diamond 0.6681712E+00 Metallicity 0.3836034E+01 Ellipticity 0.1277046E-01 Gb(Abramov) 0.1532451E+00 Vb(Abramov) -0.1891514E+00 Hb(Abramov) -0.3590632E-01 Ex_ueg -0.4000077E-01 Ec_ueg -0.6074119E-02 Delta_ex -0.4695599E-01 Delta_ec 0.1267525E-01 Delta_et -0.1608603E+00 Pxc 0.6585444E+01 Qxc -0.3704542E+01 3,-1 162 3 -1 3.175136 -3.227577 -0.105665 Rho 0.2431890E+00 |GRAD(Rho)| 0.3611229E-14 GRAD(Rho)x -0.2630058E-14 GRAD(Rho)y 0.2448237E-14 GRAD(Rho)z 0.3604295E-15 Laplacian 0.8929881E+00 (-1/4)Del**2(Rho)) -0.2232470E+00 Diamond 0.3195406E+01 Metallicity 0.7311513E+01 Ellipticity 0.1108279E-01 Gb(Abramov) 0.4208769E+00 Vb(Abramov) -0.6185069E+00 Hb(Abramov) -0.1976299E+00 Ex_ueg -0.1121098E+00 Ec_ueg -0.1465984E-01 Delta_ex -0.1081938E+00 Delta_ec 0.1952426E-01 Delta_et -0.2699975E+00 Pxc 0.7647411E+01 Qxc -0.5541507E+01 3,-1 163 3 -1 1.976856 -3.003509 0.834747 Rho 0.1300884E+00 |GRAD(Rho)| 0.1928948E-15 GRAD(Rho)x 0.7995313E-16 GRAD(Rho)y 0.1700165E-15 GRAD(Rho)z -0.4370690E-16 Laplacian 0.5047435E+00 (-1/4)Del**2(Rho)) -0.1261859E+00 Diamond 0.8721237E+00 Metallicity 0.4559739E+01 Ellipticity 0.2430316E-01 Gb(Abramov) 0.1800197E+00 Vb(Abramov) -0.2338535E+00 Hb(Abramov) -0.5383382E-01 Ex_ueg -0.4868215E-01 Ec_ueg -0.7181347E-02 Delta_ex -0.5247912E-01 Delta_ec 0.1347590E-01 Delta_et -0.1759825E+00 Pxc 0.6778973E+01 Qxc -0.3894293E+01 3,-1 164 3 -1 2.956297 -1.996650 0.823783 Rho 0.9217845E-01 |GRAD(Rho)| 0.1837321E-15 GRAD(Rho)x -0.1647056E-15 GRAD(Rho)y -0.1144511E-16 GRAD(Rho)z -0.8061382E-16 Laplacian 0.3659271E+00 (-1/4)Del**2(Rho)) -0.9148177E-01 Diamond 0.4118582E+00 Metallicity 0.3542155E+01 Ellipticity 0.7733932E-02 Gb(Abramov) 0.1149950E+00 Vb(Abramov) -0.1385081E+00 Hb(Abramov) -0.2351318E-01 Ex_ueg -0.3075324E-01 Ec_ueg -0.4853738E-02 Delta_ex -0.3498221E-01 Delta_ec 0.1036492E-01 Delta_et -0.1266145E+00 Pxc 0.6335992E+01 Qxc -0.3375057E+01 3,-1 165 3 -1 2.781228 -1.808824 -0.584057 Rho 0.1385167E+00 |GRAD(Rho)| 0.3582010E-09 GRAD(Rho)x 0.1021765E-09 GRAD(Rho)y 0.2738514E-09 GRAD(Rho)z -0.2070588E-09 Laplacian 0.5724321E+00 (-1/4)Del**2(Rho)) -0.1431080E+00 Diamond 0.1057367E+01 Metallicity 0.4464017E+01 Ellipticity 0.1237964E-01 Gb(Abramov) 0.2018781E+00 Vb(Abramov) -0.2606482E+00 Hb(Abramov) -0.5877011E-01 Ex_ueg -0.5293234E-01 Ec_ueg -0.7712517E-02 Delta_ex -0.6032336E-01 Delta_ec 0.1487349E-01 Delta_et -0.1958380E+00 Pxc 0.6863173E+01 Qxc -0.4055763E+01 3,-1 166 3 -1 2.999774 1.995053 -0.811478 Rho 0.1476672E+00 |GRAD(Rho)| 0.1988849E-15 GRAD(Rho)x -0.6334451E-16 GRAD(Rho)y -0.6791171E-16 GRAD(Rho)z 0.1758711E-15 Laplacian 0.5834941E+00 (-1/4)Del**2(Rho)) -0.1458735E+00 Diamond 0.1165741E+01 Metallicity 0.4872107E+01 Ellipticity 0.3406178E-01 Gb(Abramov) 0.2157009E+00 Vb(Abramov) -0.2855283E+00 Hb(Abramov) -0.6982740E-01 Ex_ueg -0.5764529E-01 Ec_ueg -0.8294350E-02 Delta_ex -0.6247540E-01 Delta_ec 0.1495925E-01 Delta_et -0.1989179E+00 Pxc 0.6949947E+01 Qxc -0.4176374E+01 3,-1 167 3 -1 2.780479 1.814439 0.615278 Rho 0.1619978E+00 |GRAD(Rho)| 0.7098485E-13 GRAD(Rho)x -0.1015695E-13 GRAD(Rho)y 0.5186704E-13 GRAD(Rho)z -0.4738666E-13 Laplacian 0.6813580E+00 (-1/4)Del**2(Rho)) -0.1703395E+00 Diamond 0.1506151E+01 Metallicity 0.4868773E+01 Ellipticity 0.1974045E-01 Gb(Abramov) 0.2517837E+00 Vb(Abramov) -0.3332279E+00 Hb(Abramov) -0.8144421E-01 Ex_ueg -0.6522244E-01 Ec_ueg -0.9215915E-02 Delta_ex -0.7450112E-01 Delta_ec 0.1682323E-01 Delta_et -0.2258991E+00 Pxc 0.7077153E+01 Qxc -0.4428468E+01 3,-1 168 3 -1 3.005072 -0.868885 2.025491 Rho 0.1700055E+00 |GRAD(Rho)| 0.1137978E-12 GRAD(Rho)x -0.3029586E-13 GRAD(Rho)y 0.8030515E-13 GRAD(Rho)z 0.7472068E-13 Laplacian 0.6614181E+00 (-1/4)Del**2(Rho)) -0.1653545E+00 Diamond 0.1540473E+01 Metallicity 0.5435531E+01 Ellipticity 0.6764797E-01 Gb(Abramov) 0.2600346E+00 Vb(Abramov) -0.3547147E+00 Hb(Abramov) -0.9468010E-01 Ex_ueg -0.6955617E-01 Ec_ueg -0.9736223E-02 Delta_ex -0.7312222E-01 Delta_ec 0.1599672E-01 Delta_et -0.2156657E+00 Pxc 0.7144060E+01 Qxc -0.4571077E+01 3,-1 169 3 -1 3.190833 3.200461 0.109464 Rho 0.2486676E+00 |GRAD(Rho)| 0.5221902E-14 GRAD(Rho)x -0.3999622E-15 GRAD(Rho)y 0.4167239E-14 GRAD(Rho)z 0.3121283E-14 Laplacian 0.9034676E+00 (-1/4)Del**2(Rho)) -0.2258669E+00 Diamond 0.3326921E+01 Metallicity 0.7500082E+01 Ellipticity 0.1430990E-02 Gb(Abramov) 0.4329146E+00 Vb(Abramov) -0.6399624E+00 Hb(Abramov) -0.2070477E+00 Ex_ueg -0.1154899E+00 Ec_ueg -0.1504034E-01 Delta_ex -0.1101358E+00 Delta_ec 0.1967691E-01 Delta_et -0.2725147E+00 Pxc 0.7678678E+01 Qxc -0.5597213E+01 3,-1 170 3 -1 3.303915 -0.010689 -3.174899 Rho 0.2475133E+00 |GRAD(Rho)| 0.8929190E-15 GRAD(Rho)x -0.6001059E-15 GRAD(Rho)y 0.1349832E-15 GRAD(Rho)z 0.6472687E-15 Laplacian 0.8991658E+00 (-1/4)Del**2(Rho)) -0.2247915E+00 Diamond 0.3290869E+01 Metallicity 0.7477749E+01 Ellipticity 0.2830920E-02 Gb(Abramov) 0.4300167E+00 Vb(Abramov) -0.6352419E+00 Hb(Abramov) -0.2052252E+00 Ex_ueg -0.1147756E+00 Ec_ueg -0.1496003E-01 Delta_ex -0.1094690E+00 Delta_ec 0.1959512E-01 Delta_et -0.2712806E+00 Pxc 0.7672153E+01 Qxc -0.5586544E+01 3,-1 171 3 -1 3.202696 0.008687 3.235883 Rho 0.2374220E+00 |GRAD(Rho)| 0.5484860E-15 GRAD(Rho)x -0.4614907E-15 GRAD(Rho)y -0.1786223E-16 GRAD(Rho)z -0.2958788E-15 Laplacian 0.8434897E+00 (-1/4)Del**2(Rho)) -0.2108724E+00 Diamond 0.2963223E+01 Metallicity 0.7437067E+01 Ellipticity 0.3350456E-02 Gb(Abramov) 0.4019604E+00 Vb(Abramov) -0.5930483E+00 Hb(Abramov) -0.1910879E+00 Ex_ueg -0.1085791E+00 Ec_ueg -0.1426109E-01 Delta_ex -0.1017241E+00 Delta_ec 0.1887201E-01 Delta_et -0.2620897E+00 Pxc 0.7613665E+01 Qxc -0.5390210E+01 3,-1 172 3 -1 3.027205 0.868939 -1.965051 Rho 0.1338729E+00 |GRAD(Rho)| 0.1603662E-15 GRAD(Rho)x -0.6578397E-16 GRAD(Rho)y -0.2360850E-16 GRAD(Rho)z -0.1443344E-15 Laplacian 0.5419031E+00 (-1/4)Del**2(Rho)) -0.1354758E+00 Diamond 0.9608096E+00 Metallicity 0.4454980E+01 Ellipticity 0.2598718E-01 Gb(Abramov) 0.1909075E+00 Vb(Abramov) -0.2463392E+00 Hb(Abramov) -0.5543171E-01 Ex_ueg -0.5057956E-01 Ec_ueg -0.7419281E-02 Delta_ex -0.5663623E-01 Delta_ec 0.1419688E-01 Delta_et -0.1859377E+00 Pxc 0.6817313E+01 Qxc -0.3989343E+01 3,-1 173 3 -1 1.946624 -0.612238 -2.803103 Rho 0.1568046E+00 |GRAD(Rho)| 0.9581684E-13 GRAD(Rho)x 0.6364923E-13 GRAD(Rho)y 0.7044661E-13 GRAD(Rho)z 0.1291967E-13 Laplacian 0.5995069E+00 (-1/4)Del**2(Rho)) -0.1498767E+00 Diamond 0.1305058E+01 Metallicity 0.5241035E+01 Ellipticity 0.1140013E+00 Gb(Abramov) 0.2308360E+00 Vb(Abramov) -0.3117953E+00 Hb(Abramov) -0.8095929E-01 Ex_ueg -0.6244968E-01 Ec_ueg -0.8880521E-02 Delta_ex -0.6531165E-01 Delta_ec 0.1543979E-01 Delta_et -0.2077467E+00 Pxc 0.7032209E+01 Qxc -0.4230087E+01 3,-1 174 3 -1 -3.209794 3.167780 -0.041512 Rho 0.2483471E+00 |GRAD(Rho)| 0.1402517E-13 GRAD(Rho)x 0.9688431E-15 GRAD(Rho)y 0.1029103E-13 GRAD(Rho)z -0.9479532E-14 Laplacian 0.9098209E+00 (-1/4)Del**2(Rho)) -0.2274552E+00 Diamond 0.3336565E+01 Metallicity 0.7431716E+01 Ellipticity 0.2452258E-02 Gb(Abramov) 0.4333673E+00 Vb(Abramov) -0.6392794E+00 Hb(Abramov) -0.2059121E+00 Ex_ueg -0.1152915E+00 Ec_ueg -0.1501803E-01 Delta_ex -0.1108293E+00 Delta_ec 0.1974534E-01 Delta_et -0.2730950E+00 Pxc 0.7676870E+01 Qxc -0.5612936E+01 3,-1 175 3 -1 -1.786414 -0.519037 -1.755751 Rho 0.5506175E-01 |GRAD(Rho)| 0.4418616E-16 GRAD(Rho)x 0.3274460E-16 GRAD(Rho)y 0.1069972E-16 GRAD(Rho)z 0.2767172E-16 Laplacian 0.2221704E+00 (-1/4)Del**2(Rho)) -0.5554261E-01 Diamond 0.1290488E+00 Metallicity 0.2471782E+01 Ellipticity 0.1792657E-01 Gb(Abramov) 0.5990995E-01 Vb(Abramov) -0.6427728E-01 Hb(Abramov) -0.4367334E-02 Ex_ueg -0.1547100E-01 Ec_ueg -0.2696521E-02 Delta_ex -0.1876304E-01 Delta_ec 0.6658837E-02 Delta_et -0.7200864E-01 Pxc 0.5737392E+01 Qxc -0.2817765E+01 3,-1 176 3 -1 -2.082705 -3.048591 -0.762576 Rho 0.1314887E+00 |GRAD(Rho)| 0.4217267E-13 GRAD(Rho)x -0.1248911E-13 GRAD(Rho)y -0.2644823E-14 GRAD(Rho)z -0.4019404E-13 Laplacian 0.4733584E+00 (-1/4)Del**2(Rho)) -0.1183396E+00 Diamond 0.8340934E+00 Metallicity 0.4949605E+01 Ellipticity 0.1181449E+00 Gb(Abramov) 0.1765154E+00 Vb(Abramov) -0.2346913E+00 Hb(Abramov) -0.5817585E-01 Ex_ueg -0.4938212E-01 Ec_ueg -0.7269277E-02 Delta_ex -0.4940940E-01 Delta_ec 0.1272477E-01 Delta_et -0.1666887E+00 Pxc 0.6793264E+01 Qxc -0.3882931E+01 3,-1 177 3 -1 -1.732502 1.699715 0.556202 Rho 0.4887758E-01 |GRAD(Rho)| 0.3164618E-14 GRAD(Rho)x -0.2098304E-14 GRAD(Rho)y 0.2155244E-14 GRAD(Rho)z -0.9832845E-15 Laplacian 0.1970520E+00 (-1/4)Del**2(Rho)) -0.4926301E-01 Diamond 0.9543285E-01 Metallicity 0.2284976E+01 Ellipticity 0.1399506E-01 Gb(Abramov) 0.5160281E-01 Vb(Abramov) -0.5394260E-01 Hb(Abramov) -0.2339797E-02 Ex_ueg -0.1319870E-01 Ec_ueg -0.2352925E-02 Delta_ex -0.1606428E-01 Delta_ec 0.5759565E-02 Delta_et -0.6034392E-01 Pxc 0.5609488E+01 Qxc -0.2789148E+01 3,-1 178 3 -1 1.783434 2.783516 0.569147 Rho 0.1431289E+00 |GRAD(Rho)| 0.3478970E-13 GRAD(Rho)x 0.2222816E-13 GRAD(Rho)y -0.7500294E-14 GRAD(Rho)z -0.2569003E-13 Laplacian 0.6021321E+00 (-1/4)Del**2(Rho)) -0.1505330E+00 Diamond 0.1154646E+01 Metallicity 0.4481950E+01 Ellipticity 0.7692965E-02 Gb(Abramov) 0.2128023E+00 Vb(Abramov) -0.2750715E+00 Hb(Abramov) -0.6226924E-01 Ex_ueg -0.5529530E-01 Ec_ueg -0.8005127E-02 Delta_ex -0.6393783E-01 Delta_ec 0.1547893E-01 Delta_et -0.2047281E+00 Pxc 0.6907486E+01 Qxc -0.4130637E+01 3,-1 179 3 -1 1.799566 -2.849255 -0.618508 Rho 0.2088773E+00 |GRAD(Rho)| 0.1462180E-13 GRAD(Rho)x 0.1039907E-13 GRAD(Rho)y 0.3249598E-14 GRAD(Rho)z 0.9751748E-14 Laplacian 0.8074460E+00 (-1/4)Del**2(Rho)) -0.2018615E+00 Diamond 0.2402966E+01 Metallicity 0.6275547E+01 Ellipticity 0.4089275E-02 Gb(Abramov) 0.3457062E+00 Vb(Abramov) -0.4895510E+00 Hb(Abramov) -0.1438447E+00 Ex_ueg -0.9153206E-01 Ec_ueg -0.1231428E-01 Delta_ex -0.9402233E-01 Delta_ec 0.1841105E-01 Delta_et -0.2526301E+00 Pxc 0.7433001E+01 Qxc -0.5106842E+01 3,-1 180 3 -1 -2.778099 -0.555948 1.859346 Rho 0.1428564E+00 |GRAD(Rho)| 0.4286041E-15 GRAD(Rho)x 0.2013228E-16 GRAD(Rho)y 0.2601950E-15 GRAD(Rho)z 0.3399922E-15 Laplacian 0.6002030E+00 (-1/4)Del**2(Rho)) -0.1500507E+00 Diamond 0.1150135E+01 Metallicity 0.4482096E+01 Ellipticity 0.8568285E-02 Gb(Abramov) 0.2121241E+00 Vb(Abramov) -0.2741975E+00 Hb(Abramov) -0.6207339E-01 Ex_ueg -0.5515497E-01 Ec_ueg -0.7987800E-02 Delta_ex -0.6372267E-01 Delta_ec 0.1547108E-01 Delta_et -0.2046408E+00 Pxc 0.6904901E+01 Qxc -0.4118825E+01 3,-1 181 3 -1 -0.838575 -3.440095 -1.274963 Rho 0.3188475E+00 |GRAD(Rho)| 0.4600514E-15 GRAD(Rho)x 0.4895723E-16 GRAD(Rho)y 0.4520099E-15 GRAD(Rho)z -0.7026737E-16 Laplacian -0.1655120E+01 (-1/4)Del**2(Rho)) 0.4137801E+00 Diamond 0.5682962E+01 Metallicity -0.6195674E+01 Ellipticity 0.4141198E-02 Gb(Abramov) 0.1514210E+00 Vb(Abramov) -0.7166221E+00 Hb(Abramov) -0.5652011E+00 Ex_ueg -0.1608776E+00 Ec_ueg -0.2006028E-01 Delta_ex 0.1648668E+00 Delta_ec 0.5724850E-01 Delta_et -0.1358743E+01 Pxc 0.8019711E+01 Qxc 0.2879844E+01 3,-1 182 3 -1 1.726095 -0.598892 1.727067 Rho 0.3653600E-01 |GRAD(Rho)| 0.4003525E-16 GRAD(Rho)x -0.6321725E-17 GRAD(Rho)y -0.6166665E-17 GRAD(Rho)z -0.3904907E-16 Laplacian 0.1524026E+00 (-1/4)Del**2(Rho)) -0.3810066E-01 Diamond 0.5099723E-01 Metallicity 0.1818957E+01 Ellipticity 0.2767500E-01 Gb(Abramov) 0.3695102E-01 Vb(Abramov) -0.3580137E-01 Hb(Abramov) 0.1149644E-02 Ex_ueg -0.8953917E-02 Ec_ueg -0.1685414E-02 Delta_ex -0.1163945E-01 Delta_ec 0.4616938E-02 Delta_et -0.4477506E-01 Pxc 0.5312592E+01 Qxc -0.2521032E+01 3,-1 183 3 -1 -1.658362 -2.177655 -3.112225 Rho 0.3247455E+00 |GRAD(Rho)| 0.4717912E-12 GRAD(Rho)x -0.4556944E-12 GRAD(Rho)y 0.6556878E-13 GRAD(Rho)z 0.1031032E-12 Laplacian -0.1672698E+01 (-1/4)Del**2(Rho)) 0.4181744E+00 Diamond 0.5907260E+01 Metallicity -0.6320735E+01 Ellipticity 0.1730743E-02 Gb(Abramov) 0.1617453E+00 Vb(Abramov) -0.7416650E+00 Hb(Abramov) -0.5799197E+00 Ex_ueg -0.1648577E+00 Ec_ueg -0.2049460E-01 Delta_ex 0.1676893E+00 Delta_ec 0.5808757E-01 Delta_et -0.1388232E+01 Pxc 0.8043956E+01 Qxc 0.2886836E+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 75 76 77 78 79 80 81 132 120 152 133 130 129 140 117 124 127 134 105 101 123 147 122 118 136 137 119 115 139 151 165 179 164 163 162 159 167 178 166 155 169 177 80 106 83 71 174 79 65 103 85 176 67 175 86 88 72 98 77 75 180 70 81 89 76 182 161 149 168 154 171 148 156 173 172 157 170 108 59 73 121 145 138 111 144 183 102 181 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 14 14 17 21 21 25 28 28 36 37 37 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 21 28 19 36 54 27 53 54 52 52 53 2.359860 1.970315 1.880209 1.991348 1.927998 1.731785 1.707515 1.682248 1.706644 1.718092 2.389033 2.011540 1.926529 1.972759 1.906902 1.719084 2.399679 1.873530 1.935047 1.951467 1.991763 1.731153 2.390294 1.944862 1.796048 2.119220 1.981121 1.738691 2.425009 1.881962 1.930705 1.929932 2.002453 1.730325 2.381695 1.938398 1.959720 1.934411 1.917324 1.730702 2.400346 1.939562 2.030727 1.882810 1.964813 1.720697 2.326530 1.935488 1.881062 2.044842 1.931764 1.732168 2.394731 1.931781 1.908302 1.965237 1.942919 1.730053 2.479703 2.003087 2.030863 1.850027 1.910858 1.721009 2.418265 1.942890 1.911284 1.966982 1.938194 1.732151 3.188803 3.107687 3.229438 3.328735 1.007939 3.236841 1.868829 1.678812 0.989929 2.016610 0.997935 2.361507 1.970662 1.880710 1.992019 1.928653 1.731789 1.707532 1.682292 1.706656 1.718098 2.390735 2.012171 1.927088 1.973616 1.907623 1.719102 2.401465 1.873949 1.935429 1.952098 1.992432 1.731157 2.391859 1.945225 1.796132 2.119830 1.981761 1.738709 2.426692 1.882387 1.931125 1.930564 2.003128 1.730328 2.383297 1.938818 1.960129 1.935025 1.917942 1.730708 2.402613 1.940224 2.031268 1.883536 1.966353 1.720718 2.328462 1.935854 1.881463 2.045409 1.933297 1.732177 2.396384 1.932266 1.908763 1.965905 1.943562 1.730057 2.481315 2.003763 2.031454 1.850607 1.911578 1.721026 2.419785 1.943394 1.912550 1.967605 1.938833 1.732154 3.217425 3.113741 3.237046 3.334083 1.008035 3.243591 1.869592 1.682903 0.990063 2.031711 0.998086 30 28 24 28 26 21 22 22 22 24 30 27 28 27 27 24 31 28 29 27 27 22 27 25 26 27 24 23 27 26 26 25 25 21 28 27 27 27 28 23 30 26 25 26 25 23 28 27 28 27 26 23 30 26 27 26 29 23 29 24 26 23 24 21 27 25 26 26 24 21 35 35 35 35 20 35 29 25 21 28 22 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 W As Mo W W W W Mo W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.4867 2.5003 2.3800 2.5181 2.4334 2.4980 2.5083 2.3646 2.5073 2.5079 2.3577 2.4763 -1.1270 -1.0352 -1.1278 -1.1335 -0.9187 -0.9695 -0.9505 -0.9272 -0.7593 -0.9245 -0.9263 -0.9489 -0.9202 -0.9346 -0.9543 -0.8886 -0.8864 -0.9039 -0.9573 -0.9527 -0.9152 -0.9188 -0.9599 -0.7620 -0.7827 -0.9541 -0.9651 -0.9060 -0.7611 -0.7636 -0.6737 -0.7629 -0.7833 -0.7596 -0.7589 -0.6803 -0.7584 -0.7586 -0.6864 0.2989 0.3225 0.2972 2.0878 0.8190 1.9530 2.0789 2.1106 2.0835 2.0827 1.9736 2.0984 2.0822 1.9630 2.0936 1.9361 1.9474 1.9363 1.9313 1.9370 1.9323 1.9336 1.9370 1.8794 1.9377 1.9385 1.9345 1.9377 1.9371 1.9344 1.9617 1.9550 1.9507 1.9466 1.9459 1.9486 1.9479 1.9459 1.8828 1.8843 1.9463 1.9460 1.9503 1.9705 1.9688 1.9831 1.9703 1.9670 1.9712 1.9704 1.9818 1.9698 1.9711 1.9818 0.5709 0.5385 0.5379 6.0895 1.1284 6.0532 6.0778 6.1019 6.0868 6.0812 6.0604 6.0862 6.0814 6.0568 6.1033 5.1530 5.0495 5.1538 5.1646 4.9531 5.0070 4.9866 4.9615 4.8477 4.9585 4.9593 4.9840 4.9549 4.9689 4.9892 4.8930 4.9019 4.9226 4.9784 4.9742 4.9363 4.9415 4.9813 4.8475 4.8685 4.9757 4.9869 4.9254 4.7537 4.7581 4.6553 4.7557 4.7806 4.7513 4.7514 4.6635 4.7519 4.7503 4.6697 0.1302 0.1390 0.1648 3.3068 10.5523 3.6138 3.2960 3.3256 3.3025 3.2986 3.6015 3.2790 3.2993 3.6224 3.2980 0.0380 0.0384 0.0377 0.0376 0.0286 0.0301 0.0302 0.0286 0.0323 0.0283 0.0285 0.0304 0.0277 0.0286 0.0307 0.0338 0.0295 0.0307 0.0324 0.0326 0.0303 0.0294 0.0328 0.0316 0.0299 0.0321 0.0322 0.0303 0.0369 0.0367 0.0353 0.0370 0.0357 0.0372 0.0371 0.0349 0.0367 0.0372 0.0350 0.0000 0.0000 0.0000 14.0291 0.0000 0.0000 14.0292 14.0284 14.0292 14.0292 0.0000 14.0291 14.0292 0.0000 14.0288 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 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 48 49 50 51 52 53 54 W As Mo W W W W Mo W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.515194 2.318823 3.177613 2.516504 2.486855 2.516503 2.518427 3.182443 2.534542 2.517750 3.174418 2.517633 -1.129487 -1.072479 -1.139201 -1.105191 -1.062624 -0.955374 -0.951296 -1.044481 -0.611270 -1.039637 -1.037996 -0.946481 -1.066135 -1.038001 -0.949770 -0.756556 -1.050501 -1.037591 -0.926636 -0.924732 -1.046268 -1.023728 -0.926952 -0.577826 -0.668989 -0.925491 -0.930388 -1.036753 -0.789007 -0.797440 -0.941008 -0.791551 -0.818842 -0.786646 -0.787165 -0.947157 -0.786244 -0.785728 -0.954793 0.073746 0.066843 0.050124 1.948902 1.695119 2.370103 1.947507 1.919381 1.953150 1.945729 2.346637 1.960285 1.945412 2.369502 1.947702 -0.806854 -0.780565 -0.817831 -0.771007 -0.802958 -0.717161 -0.704451 -0.811974 -0.723651 -0.814602 -0.797906 -0.716133 -0.813021 -0.800973 -0.709108 -0.624440 -0.852389 -0.839634 -0.747199 -0.756337 -0.845972 -0.822217 -0.751627 -0.736181 -0.822143 -0.758697 -0.756096 -0.840482 -0.673112 -0.674113 -0.704294 -0.679742 -0.705803 -0.669033 -0.675424 -0.696932 -0.660083 -0.674118 -0.716690 0.354455 0.295496 0.271575 2.045552 1.669399 2.451573 2.045173 2.003177 2.049798 2.041888 2.494031 2.081687 2.046012 2.450900 2.046735 -0.835387 -0.852319 -0.845534 -0.818217 -0.884150 -0.801782 -0.787147 -0.889706 -0.771770 -0.890788 -0.874003 -0.786335 -0.896428 -0.917238 -0.786468 -0.713910 -0.876798 -0.893191 -0.795282 -0.787648 -0.876925 -0.866840 -0.785362 -0.793196 -0.918027 -0.788282 -0.806593 -0.873638 -0.637552 -0.652112 -0.668122 -0.648113 -0.673922 -0.633443 -0.645137 -0.686974 -0.655217 -0.641141 -0.682606 0.478256 0.399049 0.334070 -0.80512304 -1.50269929 -2.28112924 2.84778491 -14.48702967 6.07321249 2.14593517 9.84694690 9.64192868 4.64008277 -377.2462 409.6338 -86.2356 -377.4003 -18.6825 -449.9309 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:39 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.96003516 -16.36777198 -16.03800530 -16.31851517 -16.46553722 -16.49493157 -16.51742790 -16.51917202 -16.52029794 -16.52109572 -16.52385674 -16.52605669 -16.52763060 -16.53000091 -16.53119644 -16.53074623 -16.53303935 -16.53345900 -16.53385284 -16.53394226 -16.53408521 -16.53419005 -16.53428763 -16.53435567 -16.53440728 -16.53445205 -16.53450218 -16.53453858 -16.53457468 -16.53459474 -16.53462156 -16.53463892 -16.53465686 GEOMETRY CONVERGED