ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 0.87 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.33 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.35 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.03 0.96 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:11 Hydrogen (TZP) c11-14 c11-14 c11-14 c11-14 c11-14 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.36 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:11 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:26 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2281.6382000000003 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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 15:29:16 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:28:54 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:44 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:29:06 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:34 1 1 Hydrogen TZP 1 1 -15.84704356 0.29682888 0.00100000 F 0.09959093 0.00066667 F 0.29682888 0.09959093 0.23331228 0.01000000 F 0.06628208 0.00666667 F Cartesian 2281.6382000000003 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3,-3 31 3 -3 3.428445 1.528000 -1.452021 Rho 0.3189584E+03 3,-3 32 3 -3 -3.425113 1.531578 1.591325 Rho 0.3189584E+03 3,-3 33 3 -3 1.464196 -1.478333 3.431308 Rho 0.3190204E+03 3,-3 34 3 -3 1.549335 1.478992 -3.400382 Rho 0.3189560E+03 3,-3 35 3 -3 -1.519872 1.523544 3.475530 Rho 0.3190125E+03 3,-3 36 3 -3 -1.847700 -1.461152 -3.777809 Rho 0.3194529E+03 3,-3 37 3 -3 -1.644405 -3.698207 -1.257453 Rho 0.3188157E+03 3,-3 38 3 -3 -1.493754 3.385831 1.543242 Rho 0.3190521E+03 3,-3 39 3 -3 1.521349 -3.415500 1.555432 Rho 0.3190057E+03 3,-3 40 3 -3 1.522682 3.377984 -1.518606 Rho 0.3189571E+03 3,-3 41 3 -3 -0.218960 -3.741255 3.755822 Rho 0.3193307E+03 3,-3 42 3 -3 3.907720 -0.095061 -3.695527 Rho 0.3193234E+03 3,-3 43 3 -3 -0.204903 3.690260 -3.737900 Rho 0.3193374E+03 3,-3 44 3 -3 0.232433 3.759580 3.786072 Rho 0.3194608E+03 3,-3 45 3 -3 3.741419 -3.780088 -0.209898 Rho 0.3194365E+03 3,-3 46 3 -3 3.739084 3.788582 0.239644 Rho 0.3193346E+03 3,-3 47 3 -3 -3.752467 3.728420 -0.201884 Rho 0.3193017E+03 3,-3 48 3 -3 -3.938357 -3.628877 0.303045 Rho 0.3194830E+03 3,-3 49 3 -3 -3.879285 0.347098 -3.626034 Rho 0.3194213E+03 3,-3 50 3 -3 -3.739058 -0.201274 3.806633 Rho 0.3193343E+03 3,-3 51 3 -3 3.736875 0.195260 3.779413 Rho 0.3194585E+03 3,-3 52 3 -3 1.101985 -1.906962 -2.476377 Rho 0.4400407E+00 3,-3 53 3 -3 -0.684033 -3.445560 -1.275119 Rho 0.4467586E+00 3,-3 54 3 +1 -0.365052 -1.137730 -2.770760 Rho 0.3550747E-02 |GRAD(Rho)| 0.4491575E-17 GRAD(Rho)x -0.2627434E-17 GRAD(Rho)y 0.6629809E-18 GRAD(Rho)z 0.3582079E-17 Laplacian 0.1432822E-01 (-1/4)Del**2(Rho)) -0.3582056E-02 Diamond 0.1531952E-03 Metallicity 0.3974541E+00 Ellipticity -0.1339380E+01 Gb(Abramov) 0.2625321E-02 Vb(Abramov) -0.1668586E-02 Hb(Abramov) 0.9567349E-03 Ex_ueg -0.4000780E-03 Ec_ueg -0.8508879E-04 Delta_ex -0.5832817E-03 Delta_ec 0.2999028E-03 Delta_et -0.1531714E-02 Pxc 0.4701889E+01 Qxc -0.1944902E+01 3,+1 55 3 +1 -1.700703 -0.572818 0.520731 Rho 0.9534068E-02 |GRAD(Rho)| 0.9255233E-16 GRAD(Rho)x 0.6194839E-16 GRAD(Rho)y 0.2199336E-16 GRAD(Rho)z -0.6515077E-16 Laplacian 0.3606431E-01 (-1/4)Del**2(Rho)) -0.9016078E-02 Diamond 0.1143486E-02 Metallicity 0.8190919E+00 Ellipticity -0.1572569E+01 Gb(Abramov) 0.7241551E-02 Vb(Abramov) -0.5467025E-02 Hb(Abramov) 0.1774527E-02 Ex_ueg -0.1493102E-02 Ec_ueg -0.3469643E-03 Delta_ex -0.1704148E-02 Delta_ec 0.5303598E-03 Delta_et -0.3704080E-02 Pxc 0.4303330E+01 Qxc -0.3213191E+01 3,+1 56 3 -1 -2.105936 -3.123941 -0.700842 Rho 0.1368544E+00 |GRAD(Rho)| 0.8162719E-13 GRAD(Rho)x -0.5907319E-13 GRAD(Rho)y 0.3736939E-13 GRAD(Rho)z 0.4215312E-13 Laplacian 0.5011187E+00 (-1/4)Del**2(Rho)) -0.1252797E+00 Diamond 0.9258431E+00 Metallicity 0.4997703E+01 Ellipticity 0.1299785E+00 Gb(Abramov) 0.1878716E+00 Vb(Abramov) -0.2504634E+00 Hb(Abramov) -0.6259188E-01 Ex_ueg -0.5208709E-01 Ec_ueg -0.7607393E-02 Delta_ex -0.5280606E-01 Delta_ec 0.1333062E-01 Delta_et -0.1757420E+00 Pxc 0.6846904E+01 Qxc -0.3961261E+01 3,-1 57 3 -1 -1.898013 -2.747436 0.587618 Rho 0.1051404E+00 |GRAD(Rho)| 0.2463037E-16 GRAD(Rho)x -0.1564639E-16 GRAD(Rho)y -0.1081830E-16 GRAD(Rho)z 0.1564639E-16 Laplacian 0.4297525E+00 (-1/4)Del**2(Rho)) -0.1074381E+00 Diamond 0.5640849E+00 Metallicity 0.3755585E+01 Ellipticity 0.1942794E-01 Gb(Abramov) 0.1388743E+00 Vb(Abramov) -0.1703104E+00 Hb(Abramov) -0.3143613E-01 Ex_ueg -0.3665034E-01 Ec_ueg -0.5637479E-02 Delta_ex -0.4231453E-01 Delta_ec 0.1174488E-01 Delta_et -0.1471904E+00 Pxc 0.6501193E+01 Qxc -0.3602807E+01 3,-1 58 3 +1 1.970425 -1.971959 1.969264 Rho 0.1177588E-01 |GRAD(Rho)| 0.1910732E-16 GRAD(Rho)x -0.1668454E-16 GRAD(Rho)y -0.9194007E-17 GRAD(Rho)z 0.1478548E-17 Laplacian 0.5463786E-01 (-1/4)Del**2(Rho)) -0.1365946E-01 Diamond 0.1555914E-02 Metallicity 0.7687323E+00 Ellipticity -0.1018969E+01 Gb(Abramov) 0.1085639E-01 Vb(Abramov) -0.8053312E-02 Hb(Abramov) 0.2803076E-02 Ex_ueg -0.1978683E-02 Ec_ueg -0.4492328E-03 Delta_ex -0.2501228E-02 Delta_ec 0.4036246E-03 Delta_et -0.3249733E-02 Pxc 0.4404583E+01 Qxc -0.6196917E+01 3,+1 59 3 +1 1.655234 -0.561816 -0.544886 Rho 0.8345931E-02 |GRAD(Rho)| 0.3069992E-16 GRAD(Rho)x -0.2400866E-16 GRAD(Rho)y 0.1890109E-16 GRAD(Rho)z 0.2969534E-17 Laplacian 0.3282245E-01 (-1/4)Del**2(Rho)) -0.8205612E-02 Diamond 0.8315513E-03 Metallicity 0.7209417E+00 Ellipticity -0.1409146E+01 Gb(Abramov) 0.6456369E-02 Vb(Abramov) -0.4707127E-02 Hb(Abramov) 0.1749243E-02 Ex_ueg -0.1250311E-02 Ec_ueg -0.2936267E-03 Delta_ex -0.1482669E-02 Delta_ec 0.4521094E-03 Delta_et -0.3074387E-02 Pxc 0.4258165E+01 Qxc -0.3279447E+01 3,+1 60 3 -1 -3.249862 0.064646 -3.200164 Rho 0.2253701E+00 |GRAD(Rho)| 0.2250464E-15 GRAD(Rho)x -0.1851275E-15 GRAD(Rho)y 0.6169110E-16 GRAD(Rho)z -0.1121065E-15 Laplacian 0.8296904E+00 (-1/4)Del**2(Rho)) -0.2074226E+00 Diamond 0.2722241E+01 Metallicity 0.6931986E+01 Ellipticity 0.1966952E-01 Gb(Abramov) 0.3779235E+00 Vb(Abramov) -0.5484244E+00 Hb(Abramov) -0.1705009E+00 Ex_ueg -0.1012932E+00 Ec_ueg -0.1343366E-01 Delta_ex -0.9862617E-01 Delta_ec 0.1868656E-01 Delta_et -0.2582268E+00 Pxc 0.7540253E+01 Qxc -0.5277919E+01 3,-1 61 3 -1 -2.910966 0.128402 0.170825 Rho 0.6020425E-02 |GRAD(Rho)| 0.1925671E-13 GRAD(Rho)x -0.5788876E-14 GRAD(Rho)y 0.1329312E-13 GRAD(Rho)z 0.1267291E-13 Laplacian 0.2446498E-01 (-1/4)Del**2(Rho)) -0.6116246E-02 Diamond 0.7762198E-03 Metallicity 0.5611946E+00 Ellipticity 0.1455723E+02 Gb(Abramov) 0.4649564E-02 Vb(Abramov) -0.3182883E-02 Hb(Abramov) 0.1466681E-02 Ex_ueg -0.8088871E-03 Ec_ueg -0.1910867E-03 Delta_ex -0.1293124E-02 Delta_ec 0.8270537E-03 Delta_et -0.4726381E-02 Pxc 0.4233089E+01 Qxc -0.1563531E+01 3,-1 62 3 +1 -1.700613 0.474557 -0.567411 Rho 0.9772594E-02 |GRAD(Rho)| 0.3740557E-17 GRAD(Rho)x 0.2979174E-17 GRAD(Rho)y 0.2200982E-17 GRAD(Rho)z 0.5215076E-18 Laplacian 0.3671389E-01 (-1/4)Del**2(Rho)) -0.9178471E-02 Diamond 0.1222422E-02 Metallicity 0.8384283E+00 Ellipticity -0.1622287E+01 Gb(Abramov) 0.7401562E-02 Vb(Abramov) -0.5624654E-02 Hb(Abramov) 0.1776909E-02 Ex_ueg -0.1543115E-02 Ec_ueg -0.3577459E-03 Delta_ex -0.1752761E-02 Delta_ec 0.5524146E-03 Delta_et -0.3873495E-02 Pxc 0.4313437E+01 Qxc -0.3172909E+01 3,+1 63 3 +3 -1.156597 -1.117414 1.147124 Rho 0.5502824E-02 |GRAD(Rho)| 0.4232062E-17 GRAD(Rho)x -0.2211300E-17 GRAD(Rho)y 0.3194724E-17 GRAD(Rho)z 0.1677569E-17 Laplacian 0.2133319E-01 (-1/4)Del**2(Rho)) -0.5333297E-02 Diamond 0.1650533E-03 Metallicity 0.5540302E+00 Ellipticity -0.2367882E+00 Gb(Abramov) 0.4047999E-02 Vb(Abramov) -0.2762701E-02 Hb(Abramov) 0.1285298E-02 Ex_ueg -0.7175176E-03 Ec_ueg -0.1686151E-03 Delta_ex -0.7530250E-03 Delta_ec 0.8690874E-04 Delta_et -0.7194330E-03 Pxc 0.4255357E+01 Qxc -0.8664548E+01 3,+3 64 3 +1 -0.306086 -0.567530 -3.027862 Rho 0.3245504E-02 |GRAD(Rho)| 0.1317349E-10 GRAD(Rho)x 0.1232335E-10 GRAD(Rho)y -0.4569449E-11 GRAD(Rho)z -0.8921915E-12 Laplacian 0.1283686E-01 (-1/4)Del**2(Rho)) -0.3209215E-02 Diamond 0.1262509E-03 Metallicity 0.3819073E+00 Ellipticity -0.1234597E+01 Gb(Abramov) 0.2343747E-02 Vb(Abramov) -0.1478279E-02 Hb(Abramov) 0.8654679E-03 Ex_ueg -0.3548906E-03 Ec_ueg -0.7220908E-04 Delta_ex -0.5205225E-03 Delta_ec 0.2823233E-03 Delta_et -0.1396414E-02 Pxc 0.4914765E+01 Qxc -0.1843711E+01 3,+1 65 3 +1 0.327951 -1.658540 -1.659322 Rho 0.6225561E-02 |GRAD(Rho)| 0.9978923E-15 GRAD(Rho)x 0.5450243E-15 GRAD(Rho)y -0.7960226E-15 GRAD(Rho)z 0.2551186E-15 Laplacian 0.2419266E-01 (-1/4)Del**2(Rho)) -0.6048164E-02 Diamond 0.5811978E-03 Metallicity 0.6001047E+00 Ellipticity -0.1823579E+01 Gb(Abramov) 0.4637032E-02 Vb(Abramov) -0.3225899E-02 Hb(Abramov) 0.1411133E-02 Ex_ueg -0.8458429E-03 Ec_ueg -0.2000290E-03 Delta_ex -0.1133330E-02 Delta_ec 0.5433627E-03 Delta_et -0.3236879E-02 Pxc 0.4228600E+01 Qxc -0.2085771E+01 3,+1 66 3 +1 -2.908005 0.146754 0.190413 Rho 0.6020338E-02 |GRAD(Rho)| 0.3777704E-13 GRAD(Rho)x -0.1071843E-13 GRAD(Rho)y 0.2608242E-13 GRAD(Rho)z 0.2513817E-13 Laplacian 0.2459693E-01 (-1/4)Del**2(Rho)) -0.6149232E-02 Diamond 0.7565135E-03 Metallicity 0.5581708E+00 Ellipticity -0.1551490E+02 Gb(Abramov) 0.4671542E-02 Vb(Abramov) -0.3193851E-02 Hb(Abramov) 0.1477690E-02 Ex_ueg -0.8088716E-03 Ec_ueg -0.1910830E-03 Delta_ex -0.1282786E-02 Delta_ec 0.8006108E-03 Delta_et -0.4586595E-02 Pxc 0.4233091E+01 Qxc -0.1602259E+01 3,+1 67 3 +1 -0.561261 -0.565467 1.658037 Rho 0.8766520E-02 |GRAD(Rho)| 0.1277491E-16 GRAD(Rho)x 0.3687540E-17 GRAD(Rho)y 0.1074389E-16 GRAD(Rho)z -0.5845441E-17 Laplacian 0.3426772E-01 (-1/4)Del**2(Rho)) -0.8566931E-02 Diamond 0.9145786E-03 Metallicity 0.7495028E+00 Ellipticity -0.1418134E+01 Gb(Abramov) 0.6781444E-02 Vb(Abramov) -0.4995957E-02 Hb(Abramov) 0.1785487E-02 Ex_ueg -0.1335021E-02 Ec_ueg -0.3124368E-03 Delta_ex -0.1561356E-02 Delta_ec 0.4612202E-03 Delta_et -0.3184938E-02 Pxc 0.4272930E+01 Qxc -0.3385273E+01 3,+1 68 3 -1 -3.351448 -3.113547 0.113259 Rho 0.2337595E+00 |GRAD(Rho)| 0.4777703E-15 GRAD(Rho)x 0.2432950E-15 GRAD(Rho)y 0.4111837E-15 GRAD(Rho)z 0.2710505E-19 Laplacian 0.8585232E+00 (-1/4)Del**2(Rho)) -0.2146308E+00 Diamond 0.2941966E+01 Metallicity 0.7119945E+01 Ellipticity 0.2706445E-02 Gb(Abramov) 0.3977804E+00 Vb(Abramov) -0.5809301E+00 Hb(Abramov) -0.1831497E+00 Ex_ueg -0.1063516E+00 Ec_ueg -0.1400879E-01 Delta_ex -0.1030189E+00 Delta_ec 0.1911703E-01 Delta_et -0.2645582E+00 Pxc 0.7591776E+01 Qxc -0.5388856E+01 3,-1 69 3 +1 -1.777086 -1.718025 1.784636 Rho 0.1232517E-01 |GRAD(Rho)| 0.1389507E-13 GRAD(Rho)x 0.7084206E-14 GRAD(Rho)y -0.1085636E-13 GRAD(Rho)z -0.5002635E-14 Laplacian 0.6171014E-01 (-1/4)Del**2(Rho)) -0.1542753E-01 Diamond 0.2542356E-02 Metallicity 0.7343638E+00 Ellipticity -0.1257443E+01 Gb(Abramov) 0.1217326E-01 Vb(Abramov) -0.8918985E-02 Hb(Abramov) 0.3254274E-02 Ex_ueg -0.2102691E-02 Ec_ueg -0.4746005E-03 Delta_ex -0.3048472E-02 Delta_ec 0.7896712E-03 Delta_et -0.5968593E-02 Pxc 0.4430443E+01 Qxc -0.3860432E+01 3,+1 70 3 -1 -3.088045 -2.011330 -0.863754 Rho 0.1499355E+00 |GRAD(Rho)| 0.2428345E-13 GRAD(Rho)x 0.6988361E-14 GRAD(Rho)y -0.1372467E-13 GRAD(Rho)z 0.1877451E-13 Laplacian 0.5795265E+00 (-1/4)Del**2(Rho)) -0.1448816E+00 Diamond 0.1167431E+01 Metallicity 0.5031693E+01 Ellipticity 0.8106023E-01 Gb(Abramov) 0.2180877E+00 Vb(Abramov) -0.2912938E+00 Hb(Abramov) -0.7320610E-01 Ex_ueg -0.5882895E-01 Ec_ueg -0.8439387E-02 Delta_ex -0.6216558E-01 Delta_ec 0.1459208E-01 Delta_et -0.1939763E+00 Pxc 0.6970761E+01 Qxc -0.4260228E+01 3,-1 71 3 -1 -3.005659 1.967716 0.886422 Rho 0.1328935E+00 |GRAD(Rho)| 0.3409594E-11 GRAD(Rho)x 0.1281274E-11 GRAD(Rho)y -0.2471488E-11 GRAD(Rho)z 0.1968607E-11 Laplacian 0.5159562E+00 (-1/4)Del**2(Rho)) -0.1289891E+00 Diamond 0.9121349E+00 Metallicity 0.4622104E+01 Ellipticity 0.2970346E-01 Gb(Abramov) 0.1853595E+00 Vb(Abramov) -0.2417300E+00 Hb(Abramov) -0.5637045E-01 Ex_ueg -0.5008679E-01 Ec_ueg -0.7357616E-02 Delta_ex -0.5389161E-01 Delta_ec 0.1365309E-01 Delta_et -0.1788218E+00 Pxc 0.6807476E+01 Qxc -0.3947209E+01 3,-1 72 3 -1 -3.209492 3.154327 -0.068329 Rho 0.2399648E+00 |GRAD(Rho)| 0.7565251E-15 GRAD(Rho)x -0.5699651E-15 GRAD(Rho)y 0.4943962E-15 GRAD(Rho)z -0.5515879E-16 Laplacian 0.8862134E+00 (-1/4)Del**2(Rho)) -0.2215533E+00 Diamond 0.3117790E+01 Metallicity 0.7205336E+01 Ellipticity 0.1066585E-01 Gb(Abramov) 0.4137633E+00 Vb(Abramov) -0.6059732E+00 Hb(Abramov) -0.1922099E+00 Ex_ueg -0.1101324E+00 Ec_ueg -0.1443668E-01 Delta_ex -0.1069836E+00 Delta_ec 0.1942652E-01 Delta_et -0.2684208E+00 Pxc 0.7628652E+01 Qxc -0.5507091E+01 3,-1 73 3 +1 -2.924336 -0.293051 -0.284534 Rho 0.5473781E-02 |GRAD(Rho)| 0.4288380E-14 GRAD(Rho)x 0.1982275E-15 GRAD(Rho)y -0.3297278E-14 GRAD(Rho)z -0.2734751E-14 Laplacian 0.2277568E-01 (-1/4)Del**2(Rho)) -0.5693921E-02 Diamond 0.4317098E-03 Metallicity 0.5143839E+00 Ellipticity -0.1418269E+01 Gb(Abramov) 0.4284091E-02 Vb(Abramov) -0.2874261E-02 Hb(Abramov) 0.1409830E-02 Ex_ueg -0.7124727E-03 Ec_ueg -0.1673581E-03 Delta_ex -0.1014067E-02 Delta_ec 0.4700749E-03 Delta_et -0.2722000E-02 Pxc 0.4257174E+01 Qxc -0.2157245E+01 3,+1 74 3 -1 -2.836029 -1.779869 0.580063 Rho 0.1338849E+00 |GRAD(Rho)| 0.2784012E-15 GRAD(Rho)x -0.7193343E-16 GRAD(Rho)y 0.1841111E-15 GRAD(Rho)z 0.1960509E-15 Laplacian 0.5629396E+00 (-1/4)Del**2(Rho)) -0.1407349E+00 Diamond 0.9800898E+00 Metallicity 0.4289146E+01 Ellipticity 0.1726388E-01 Gb(Abramov) 0.1944287E+00 Vb(Abramov) -0.2481225E+00 Hb(Abramov) -0.5369378E-01 Ex_ueg -0.5058564E-01 Ec_ueg -0.7420041E-02 Delta_ex -0.5862601E-01 Delta_ec 0.1437256E-01 Delta_et -0.1875132E+00 Pxc 0.6817434E+01 Qxc -0.4079024E+01 3,-1 75 3 +1 -0.593093 0.487661 -1.668427 Rho 0.9387290E-02 |GRAD(Rho)| 0.1318167E-14 GRAD(Rho)x 0.5988284E-15 GRAD(Rho)y -0.7048165E-15 GRAD(Rho)z 0.9392570E-15 Laplacian 0.3611649E-01 (-1/4)Del**2(Rho)) -0.9029122E-02 Diamond 0.1126322E-02 Metallicity 0.7970301E+00 Ellipticity -0.1546078E+01 Gb(Abramov) 0.7218828E-02 Vb(Abramov) -0.5408535E-02 Hb(Abramov) 0.1810294E-02 Ex_ueg -0.1462532E-02 Ec_ueg -0.3403418E-03 Delta_ex -0.1701985E-02 Delta_ec 0.5348191E-03 Delta_et -0.3717488E-02 Pxc 0.4297244E+01 Qxc -0.3182355E+01 3,+1 76 3 -1 -2.766099 0.477670 -1.852184 Rho 0.6666143E-01 |GRAD(Rho)| 0.1215414E-15 GRAD(Rho)x 0.4536285E-17 GRAD(Rho)y 0.3582018E-16 GRAD(Rho)z 0.1160545E-15 Laplacian 0.2822636E+00 (-1/4)Del**2(Rho)) -0.7056591E-01 Diamond 0.2147904E+00 Metallicity 0.2675568E+01 Ellipticity 0.7322927E-02 Gb(Abramov) 0.7851125E-01 Vb(Abramov) -0.8645659E-01 Hb(Abramov) -0.7945344E-02 Ex_ueg -0.1996264E-01 Ec_ueg -0.3354691E-02 Delta_ex -0.2509279E-01 Delta_ec 0.8561783E-02 Delta_et -0.9724297E-01 Pxc 0.5950664E+01 Qxc -0.2930791E+01 3,-1 77 3 +1 -2.256697 -1.167061 -1.415769 Rho 0.2855003E-01 |GRAD(Rho)| 0.4029776E-13 GRAD(Rho)x -0.1602562E-13 GRAD(Rho)y 0.1784300E-13 GRAD(Rho)z -0.3238390E-13 Laplacian 0.1171687E+00 (-1/4)Del**2(Rho)) -0.2929217E-01 Diamond 0.1919129E-01 Metallicity 0.1568481E+01 Ellipticity -0.4572244E+01 Gb(Abramov) 0.2718548E-01 Vb(Abramov) -0.2507879E-01 Hb(Abramov) 0.2106690E-02 Ex_ueg -0.6444567E-02 Ec_ueg -0.1269061E-02 Delta_ex -0.7623506E-02 Delta_ec 0.2116862E-02 Delta_et -0.1927893E-01 Pxc 0.5078216E+01 Qxc -0.3601323E+01 3,+1 78 3 +1 -1.975941 1.985834 2.029823 Rho 0.1238989E-01 |GRAD(Rho)| 0.1788949E-16 GRAD(Rho)x -0.9671937E-18 GRAD(Rho)y -0.1195323E-16 GRAD(Rho)z 0.1327474E-16 Laplacian 0.5803321E-01 (-1/4)Del**2(Rho)) -0.1450830E-01 Diamond 0.1784157E-02 Metallicity 0.7877389E+00 Ellipticity -0.1054188E+01 Gb(Abramov) 0.1157699E-01 Vb(Abramov) -0.8645685E-02 Hb(Abramov) 0.2931308E-02 Ex_ueg -0.2117426E-02 Ec_ueg -0.4775974E-03 Delta_ex -0.2698028E-02 Delta_ec 0.4341265E-03 Delta_et -0.3521741E-02 Pxc 0.4433496E+01 Qxc -0.6214842E+01 3,+1 79 3 +3 -2.355769 -0.070233 -0.037465 Rho 0.5112740E-02 |GRAD(Rho)| 0.9654579E-16 GRAD(Rho)x 0.7223244E-16 GRAD(Rho)y 0.4324300E-16 GRAD(Rho)z 0.4726106E-16 Laplacian 0.2074867E-01 (-1/4)Del**2(Rho)) -0.5187167E-02 Diamond 0.2164644E-03 Metallicity 0.5039403E+00 Ellipticity -0.6027658E+00 Gb(Abramov) 0.3893782E-02 Vb(Abramov) -0.2600396E-02 Hb(Abramov) 0.1293385E-02 Ex_ueg -0.6505140E-03 Ec_ueg -0.1517677E-03 Delta_ex -0.7817652E-03 Delta_ec 0.1993430E-03 Delta_et -0.1272969E-02 Pxc 0.4286249E+01 Qxc -0.3921709E+01 3,+3 80 3 +1 0.166882 -0.152869 2.935897 Rho 0.5463778E-02 |GRAD(Rho)| 0.2943418E-17 GRAD(Rho)x 0.2481576E-18 GRAD(Rho)y 0.2932895E-17 GRAD(Rho)z 0.1604340E-19 Laplacian 0.2257949E-01 (-1/4)Del**2(Rho)) -0.5644873E-02 Diamond 0.5521939E-03 Metallicity 0.5172742E+00 Ellipticity -0.2318230E+01 Gb(Abramov) 0.4249906E-02 Vb(Abramov) -0.2854940E-02 Hb(Abramov) 0.1394966E-02 Ex_ueg -0.7107374E-03 Ec_ueg -0.1669253E-03 Delta_ex -0.1108259E-02 Delta_ec 0.6505235E-03 Delta_et -0.3652367E-02 Pxc 0.4257816E+01 Qxc -0.1703642E+01 3,+1 81 3 +1 -0.562850 1.626934 -0.529121 Rho 0.9035588E-02 |GRAD(Rho)| 0.1342725E-13 GRAD(Rho)x 0.1004203E-13 GRAD(Rho)y -0.8780089E-14 GRAD(Rho)z 0.1535867E-14 Laplacian 0.3522078E-01 (-1/4)Del**2(Rho)) -0.8805196E-02 Diamond 0.9671942E-03 Metallicity 0.7669050E+00 Ellipticity -0.1418771E+01 Gb(Abramov) 0.6995589E-02 Vb(Abramov) -0.5185981E-02 Hb(Abramov) 0.1809607E-02 Ex_ueg -0.1389932E-02 Ec_ueg -0.3245114E-03 Delta_ex -0.1612008E-02 Delta_ec 0.4647041E-03 Delta_et -0.3241491E-02 Pxc 0.4283154E+01 Qxc -0.3468891E+01 3,+1 82 3 +1 -1.747586 1.705107 -1.727690 Rho 0.1144123E-01 |GRAD(Rho)| 0.7794890E-17 GRAD(Rho)x 0.3823942E-17 GRAD(Rho)y 0.6600125E-17 GRAD(Rho)z 0.1605031E-17 Laplacian 0.5587782E-01 (-1/4)Del**2(Rho)) -0.1396945E-01 Diamond 0.2133879E-02 Metallicity 0.7164095E+00 Ellipticity -0.1289601E+01 Gb(Abramov) 0.1098094E-01 Vb(Abramov) -0.7992435E-02 Hb(Abramov) 0.2988510E-02 Ex_ueg -0.1904065E-02 Ec_ueg -0.4338359E-03 Delta_ex -0.2723623E-02 Delta_ec 0.7453773E-03 Delta_et -0.5508321E-02 Pxc 0.4388907E+01 Qxc -0.3654020E+01 3,+1 83 3 -1 -1.733875 0.530007 1.749430 Rho 0.4910385E-01 |GRAD(Rho)| 0.2604022E-16 GRAD(Rho)x -0.9637964E-17 GRAD(Rho)y -0.2143904E-16 GRAD(Rho)z -0.1120582E-16 Laplacian 0.1972606E+00 (-1/4)Del**2(Rho)) -0.4931515E-01 Diamond 0.9658161E-01 Metallicity 0.2300199E+01 Ellipticity 0.1500072E-01 Gb(Abramov) 0.5178254E-01 Vb(Abramov) -0.5424993E-01 Hb(Abramov) -0.2467392E-02 Ex_ueg -0.1328024E-01 Ec_ueg -0.2365398E-02 Delta_ex -0.1611973E-01 Delta_ec 0.5800605E-02 Delta_et -0.6085672E-01 Pxc 0.5614376E+01 Qxc -0.2778973E+01 3,-1 84 3 -1 -1.983040 0.876579 3.050424 Rho 0.1495558E+00 |GRAD(Rho)| 0.5421833E-15 GRAD(Rho)x 0.1811973E-15 GRAD(Rho)y 0.4729832E-15 GRAD(Rho)z 0.1934352E-15 Laplacian 0.5884172E+00 (-1/4)Del**2(Rho)) -0.1471043E+00 Diamond 0.1190593E+01 Metallicity 0.4934768E+01 Ellipticity 0.4729248E-01 Gb(Abramov) 0.2190571E+00 Vb(Abramov) -0.2910099E+00 Hb(Abramov) -0.7195282E-01 Ex_ueg -0.5863040E-01 Ec_ueg -0.8415086E-02 Delta_ex -0.6316847E-01 Delta_ec 0.1498345E-01 Delta_et -0.1994755E+00 Pxc 0.6967296E+01 Qxc -0.4215883E+01 3,-1 85 3 +1 -1.077472 1.379210 2.186874 Rho 0.2533060E-01 |GRAD(Rho)| 0.5612175E-15 GRAD(Rho)x 0.1540228E-15 GRAD(Rho)y 0.3560266E-15 GRAD(Rho)z 0.4055700E-15 Laplacian 0.9882813E-01 (-1/4)Del**2(Rho)) -0.2470703E-01 Diamond 0.1234402E-01 Metallicity 0.1523381E+01 Ellipticity -0.2846464E+01 Gb(Abramov) 0.2274439E-01 Vb(Abramov) -0.2078175E-01 Hb(Abramov) 0.1962641E-02 Ex_ueg -0.5494301E-02 Ec_ueg -0.1105374E-02 Delta_ex -0.6080946E-02 Delta_ec 0.1521272E-02 Delta_et -0.1350640E-01 Pxc 0.4970536E+01 Qxc -0.3997277E+01 3,+1 86 3 +1 0.487070 1.695356 0.526217 Rho 0.7248172E-02 |GRAD(Rho)| 0.5059290E-12 GRAD(Rho)x -0.4123782E-12 GRAD(Rho)y -0.1168371E-12 GRAD(Rho)z 0.2688074E-12 Laplacian 0.2847690E-01 (-1/4)Del**2(Rho)) -0.7119225E-02 Diamond 0.6112208E-03 Metallicity 0.6569030E+00 Ellipticity -0.1385330E+01 Gb(Abramov) 0.5525590E-02 Vb(Abramov) -0.3931955E-02 Hb(Abramov) 0.1593635E-02 Ex_ueg -0.1035992E-02 Ec_ueg -0.2449078E-03 Delta_ex -0.1250437E-02 Delta_ec 0.4082041E-03 Delta_et -0.2663012E-02 Pxc 0.4230131E+01 Qxc -0.3063264E+01 3,+1 87 3 +3 -1.934844 1.944486 1.988723 Rho 0.1238513E-01 |GRAD(Rho)| 0.9717984E-17 GRAD(Rho)x -0.3657222E-17 GRAD(Rho)y -0.6469736E-17 GRAD(Rho)z -0.6261507E-17 Laplacian 0.5764947E-01 (-1/4)Del**2(Rho)) -0.1441237E-01 Diamond 0.1580601E-02 Metallicity 0.7924746E+00 Ellipticity -0.9354963E+00 Gb(Abramov) 0.1151182E-01 Vb(Abramov) -0.8611268E-02 Hb(Abramov) 0.2900550E-02 Ex_ueg -0.2116342E-02 Ec_ueg -0.4773770E-03 Delta_ex -0.2627031E-02 Delta_ec 0.3368670E-03 Delta_et -0.2856252E-02 Pxc 0.4433271E+01 Qxc -0.7798420E+01 3,+3 88 3 +1 -2.194407 1.237417 1.234831 Rho 0.2897649E-01 |GRAD(Rho)| 0.7691103E-16 GRAD(Rho)x -0.7148553E-16 GRAD(Rho)y 0.2511553E-16 GRAD(Rho)z 0.1320362E-16 Laplacian 0.1163619E+00 (-1/4)Del**2(Rho)) -0.2909048E-01 Diamond 0.1946675E-01 Metallicity 0.1618870E+01 Ellipticity -0.6010750E+01 Gb(Abramov) 0.2724260E-01 Vb(Abramov) -0.2539473E-01 Hb(Abramov) 0.1847874E-02 Ex_ueg -0.6573240E-02 Ec_ueg -0.1290935E-02 Delta_ex -0.7602346E-02 Delta_ec 0.2104627E-02 Delta_et -0.1923680E-01 Pxc 0.5091843E+01 Qxc -0.3612207E+01 3,+1 89 3 +1 -0.001980 -2.980531 0.006029 Rho 0.4486235E-02 |GRAD(Rho)| 0.9217991E-15 GRAD(Rho)x 0.6763783E-15 GRAD(Rho)y -0.2917952E-15 GRAD(Rho)z 0.5541493E-15 Laplacian 0.1765958E-01 (-1/4)Del**2(Rho)) -0.4414895E-02 Diamond 0.3532662E-03 Metallicity 0.4761782E+00 Ellipticity -0.2824148E+01 Gb(Abramov) 0.3293643E-02 Vb(Abramov) -0.2172390E-02 Hb(Abramov) 0.1121252E-02 Ex_ueg -0.5464634E-03 Ec_ueg -0.1248708E-03 Delta_ex -0.8570718E-03 Delta_ec 0.5508765E-03 Delta_et -0.2897900E-02 Pxc 0.4376229E+01 Qxc -0.1555833E+01 3,+1 90 3 -1 -1.838013 -1.746194 -0.559069 Rho 0.4660610E-01 |GRAD(Rho)| 0.1552825E-15 GRAD(Rho)x 0.1202605E-15 GRAD(Rho)y 0.8753429E-16 GRAD(Rho)z -0.4458485E-16 Laplacian 0.1899018E+00 (-1/4)Del**2(Rho)) -0.4747545E-01 Diamond 0.8943170E-01 Metallicity 0.2190224E+01 Ellipticity 0.2603881E-01 Gb(Abramov) 0.4898061E-01 Vb(Abramov) -0.5048578E-01 Hb(Abramov) -0.1505165E-02 Ex_ueg -0.1238726E-01 Ec_ueg -0.2228148E-02 Delta_ex -0.1544953E-01 Delta_ec 0.5825093E-02 Delta_et -0.6033842E-01 Pxc 0.5559443E+01 Qxc -0.2652237E+01 3,-1 91 3 +3 0.030316 -0.032134 2.284884 Rho 0.4590423E-02 |GRAD(Rho)| 0.5827846E-17 GRAD(Rho)x 0.3167444E-17 GRAD(Rho)y 0.4857301E-17 GRAD(Rho)z 0.5811284E-18 Laplacian 0.1876491E-01 (-1/4)Del**2(Rho)) -0.4691228E-02 Diamond 0.1580989E-03 Metallicity 0.4656089E+00 Ellipticity -0.3286937E+00 Gb(Abramov) 0.3491531E-02 Vb(Abramov) -0.2291835E-02 Hb(Abramov) 0.1199696E-02 Ex_ueg -0.5634500E-03 Ec_ueg -0.1293299E-03 Delta_ex -0.6763671E-03 Delta_ec 0.1598105E-03 Delta_et -0.1021664E-02 Pxc 0.4356690E+01 Qxc -0.4232308E+01 3,+3 92 3 -1 -1.749532 1.677010 0.521858 Rho 0.5044354E-01 |GRAD(Rho)| 0.6446724E-12 GRAD(Rho)x 0.4305629E-12 GRAD(Rho)y -0.4210648E-12 GRAD(Rho)z 0.2300489E-12 Laplacian 0.2025450E+00 (-1/4)Del**2(Rho)) -0.5063625E-01 Diamond 0.1030315E+00 Metallicity 0.2342975E+01 Ellipticity 0.1778731E-01 Gb(Abramov) 0.5353074E-01 Vb(Abramov) -0.5642523E-01 Hb(Abramov) -0.2894492E-02 Ex_ueg -0.1376552E-01 Ec_ueg -0.2439406E-02 Delta_ex -0.1667144E-01 Delta_ec 0.5967389E-02 Delta_et -0.6305045E-01 Pxc 0.5642979E+01 Qxc -0.2793758E+01 3,-1 93 3 -1 -1.797797 2.745061 -0.556508 Rho 0.1326169E+00 |GRAD(Rho)| 0.3426295E-15 GRAD(Rho)x 0.3395044E-15 GRAD(Rho)y 0.3534499E-16 GRAD(Rho)z 0.2970714E-16 Laplacian 0.5512022E+00 (-1/4)Del**2(Rho)) -0.1378006E+00 Diamond 0.9686889E+00 Metallicity 0.4311552E+01 Ellipticity 0.9325473E-02 Gb(Abramov) 0.1908894E+00 Vb(Abramov) -0.2439783E+00 Hb(Abramov) -0.5308885E-01 Ex_ueg -0.4994785E-01 Ec_ueg -0.7340213E-02 Delta_ex -0.5750517E-01 Delta_ec 0.1452344E-01 Delta_et -0.1900252E+00 Pxc 0.6804688E+01 Qxc -0.3959472E+01 3,-1 94 3 +1 -0.201373 2.970452 0.233824 Rho 0.5606688E-02 |GRAD(Rho)| 0.1490015E-16 GRAD(Rho)x -0.1420815E-16 GRAD(Rho)y 0.4487906E-17 GRAD(Rho)z 0.3957919E-19 Laplacian 0.2347702E-01 (-1/4)Del**2(Rho)) -0.5869256E-02 Diamond 0.5594182E-03 Metallicity 0.5193747E+00 Ellipticity -0.1935874E+01 Gb(Abramov) 0.4420894E-02 Vb(Abramov) -0.2972533E-02 Hb(Abramov) 0.1448362E-02 Ex_ueg -0.7356314E-03 Ec_ueg -0.1731138E-03 Delta_ex -0.1130412E-02 Delta_ec 0.6265299E-03 Delta_et -0.3566428E-02 Pxc 0.4249410E+01 Qxc -0.1804243E+01 3,+1 95 3 -1 -1.989075 2.941904 0.856254 Rho 0.1168722E+00 |GRAD(Rho)| 0.1769935E-15 GRAD(Rho)x -0.9015141E-16 GRAD(Rho)y -0.1307887E-15 GRAD(Rho)z 0.7806256E-16 Laplacian 0.4638477E+00 (-1/4)Del**2(Rho)) -0.1159619E+00 Diamond 0.6961723E+00 Metallicity 0.4150400E+01 Ellipticity 0.1774503E-01 Gb(Abramov) 0.1575227E+00 Vb(Abramov) -0.1990835E+00 Hb(Abramov) -0.4156076E-01 Ex_ueg -0.4220205E-01 Ec_ueg -0.6357990E-02 Delta_ex -0.4689327E-01 Delta_ec 0.1248859E-01 Delta_et -0.1597624E+00 Pxc 0.6637640E+01 Qxc -0.3754890E+01 3,-1 96 3 -1 -1.798872 0.467149 -2.846428 Rho 0.1215716E+00 |GRAD(Rho)| 0.1971589E-15 GRAD(Rho)x 0.7241793E-16 GRAD(Rho)y 0.1732148E-15 GRAD(Rho)z -0.6019863E-16 Laplacian 0.5022002E+00 (-1/4)Del**2(Rho)) -0.1255500E+00 Diamond 0.7909493E+00 Metallicity 0.4093769E+01 Ellipticity 0.1287712E-01 Gb(Abramov) 0.1693622E+00 Vb(Abramov) -0.2131743E+00 Hb(Abramov) -0.4381214E-01 Ex_ueg -0.4447965E-01 Ec_ueg -0.6649384E-02 Delta_ex -0.5125795E-01 Delta_ec 0.1341214E-01 Delta_et -0.1727899E+00 Pxc 0.6689289E+01 Qxc -0.3821759E+01 3,-1 97 3 -1 -1.764783 -0.632862 -1.840129 Rho 0.4931947E-01 |GRAD(Rho)| 0.1315761E-15 GRAD(Rho)x -0.7993365E-16 GRAD(Rho)y 0.5396722E-16 GRAD(Rho)z -0.8950089E-16 Laplacian 0.2022931E+00 (-1/4)Del**2(Rho)) -0.5057328E-01 Diamond 0.1047928E+00 Metallicity 0.2259415E+01 Ellipticity 0.1237074E-01 Gb(Abramov) 0.5275986E-01 Vb(Abramov) -0.5494644E-01 Hb(Abramov) -0.2186579E-02 Ex_ueg -0.1335805E-01 Ec_ueg -0.2377291E-02 Delta_ex -0.1677554E-01 Delta_ec 0.6352421E-02 Delta_et -0.6683399E-01 Pxc 0.5619019E+01 Qxc -0.2640811E+01 3,-1 98 3 +3 -1.151129 1.089764 -1.142163 Rho 0.5497012E-02 |GRAD(Rho)| 0.5963995E-14 GRAD(Rho)x -0.3058865E-14 GRAD(Rho)y 0.1877489E-14 GRAD(Rho)z -0.4763153E-14 Laplacian 0.2118505E-01 (-1/4)Del**2(Rho)) -0.5296263E-02 Diamond 0.1619592E-03 Metallicity 0.5569225E+00 Ellipticity -0.3146830E+00 Gb(Abramov) 0.4022443E-02 Vb(Abramov) -0.2748624E-02 Hb(Abramov) 0.1273820E-02 Ex_ueg -0.7165073E-03 Ec_ueg -0.1683636E-03 Delta_ex -0.7461746E-03 Delta_ec 0.8380648E-04 Delta_et -0.7013548E-03 Pxc 0.4255715E+01 Qxc -0.8903542E+01 3,+3 99 3 +1 -0.657621 -1.680386 0.499054 Rho 0.9275549E-02 |GRAD(Rho)| 0.1846991E-13 GRAD(Rho)x 0.1725716E-13 GRAD(Rho)y 0.4681663E-14 GRAD(Rho)z 0.4627118E-14 Laplacian 0.3493049E-01 (-1/4)Del**2(Rho)) -0.8732623E-02 Diamond 0.1050674E-02 Metallicity 0.8078074E+00 Ellipticity -0.1541746E+01 Gb(Abramov) 0.6997462E-02 Vb(Abramov) -0.5262300E-02 Hb(Abramov) 0.1735162E-02 Ex_ueg -0.1439366E-02 Ec_ueg -0.3353065E-03 Delta_ex -0.1632557E-02 Delta_ec 0.5019684E-03 Delta_et -0.3489848E-02 Pxc 0.4292688E+01 Qxc -0.3252310E+01 3,+1 100 3 +3 -0.101955 -2.459803 -0.137377 Rho 0.3983891E-02 |GRAD(Rho)| 0.3245452E-17 GRAD(Rho)x -0.6562313E-19 GRAD(Rho)y 0.3209006E-17 GRAD(Rho)z -0.4805526E-18 Laplacian 0.1589008E-01 (-1/4)Del**2(Rho)) -0.3972520E-02 Diamond 0.1214603E-03 Metallicity 0.4341763E+00 Ellipticity -0.3561561E+00 Gb(Abramov) 0.2935809E-02 Vb(Abramov) -0.1899098E-02 Hb(Abramov) 0.1036711E-02 Ex_ueg -0.4664391E-03 Ec_ueg -0.1034510E-03 Delta_ex -0.5661139E-03 Delta_ec 0.1600294E-03 Delta_et -0.9518361E-03 Pxc 0.4508792E+01 Qxc -0.3537562E+01 3,+3 101 3 +1 0.513150 0.461563 1.651628 Rho 0.7863859E-02 |GRAD(Rho)| 0.1406551E-14 GRAD(Rho)x 0.7592934E-15 GRAD(Rho)y 0.3874265E-15 GRAD(Rho)z 0.1118820E-14 Laplacian 0.3105459E-01 (-1/4)Del**2(Rho)) -0.7763648E-02 Diamond 0.7608484E-03 Metallicity 0.6900494E+00 Ellipticity -0.1433345E+01 Gb(Abramov) 0.6068649E-02 Vb(Abramov) -0.4373649E-02 Hb(Abramov) 0.1694999E-02 Ex_ueg -0.1154957E-02 Ec_ueg -0.2721644E-03 Delta_ex -0.1399814E-02 Delta_ec 0.4597826E-03 Delta_et -0.3051906E-02 Pxc 0.4243602E+01 Qxc -0.3044513E+01 3,+1 102 3 -1 0.561699 2.819441 1.823035 Rho 0.1227365E+00 |GRAD(Rho)| 0.2603199E-15 GRAD(Rho)x 0.1255167E-15 GRAD(Rho)y 0.1286982E-15 GRAD(Rho)z -0.1882785E-15 Laplacian 0.5109962E+00 (-1/4)Del**2(Rho)) -0.1277491E+00 Diamond 0.8084270E+00 Metallicity 0.4087755E+01 Ellipticity 0.8346591E-02 Gb(Abramov) 0.1722005E+00 Vb(Abramov) -0.2166520E+00 Hb(Abramov) -0.4445146E-01 Ex_ueg -0.4504881E-01 Ec_ueg -0.6721851E-02 Delta_ex -0.5220114E-01 Delta_ec 0.1348512E-01 Delta_et -0.1737909E+00 Pxc 0.6701846E+01 Qxc -0.3871018E+01 3,-1 103 3 -1 -0.261472 -1.284380 -3.394946 Rho 0.4406529E-02 |GRAD(Rho)| 0.2104120E-15 GRAD(Rho)x -0.1617589E-15 GRAD(Rho)y 0.8913908E-16 GRAD(Rho)z 0.1008041E-15 Laplacian 0.1703304E-01 (-1/4)Del**2(Rho)) -0.4258260E-02 Diamond 0.5149250E-03 Metallicity 0.4791617E+00 Ellipticity 0.1431059E+00 Gb(Abramov) 0.3178906E-02 Vb(Abramov) -0.2099551E-02 Hb(Abramov) 0.1079354E-02 Ex_ueg -0.5335567E-03 Ec_ueg -0.1214634E-03 Delta_ex -0.1024189E-02 Delta_ec 0.8890168E-03 Delta_et -0.4503822E-02 Pxc 0.4392736E+01 Qxc -0.1152047E+01 3,-1 104 3 -1 -1.798168 -0.537699 2.819998 Rho 0.1467685E+00 |GRAD(Rho)| 0.1749215E-12 GRAD(Rho)x -0.1304751E-12 GRAD(Rho)y 0.1127776E-12 GRAD(Rho)z -0.2924047E-13 Laplacian 0.6182174E+00 (-1/4)Del**2(Rho)) -0.1545543E+00 Diamond 0.1217145E+01 Metallicity 0.4551905E+01 Ellipticity 0.1564482E-01 Gb(Abramov) 0.2202890E+00 Vb(Abramov) -0.2860237E+00 Hb(Abramov) -0.6573468E-01 Ex_ueg -0.5717797E-01 Ec_ueg -0.8236971E-02 Delta_ex -0.6600265E-01 Delta_ec 0.1570955E-01 Delta_et -0.2083479E+00 Pxc 0.6941626E+01 Qxc -0.4201436E+01 3,-1 105 3 +3 -0.313455 -0.599332 -2.887604 Rho 0.3237744E-02 |GRAD(Rho)| 0.4257473E-15 GRAD(Rho)x -0.1867778E-15 GRAD(Rho)y -0.9585523E-16 GRAD(Rho)z 0.3703870E-15 Laplacian 0.1287254E-01 (-1/4)Del**2(Rho)) -0.3218134E-02 Diamond 0.1105115E-03 Metallicity 0.3793324E+00 Ellipticity -0.6422792E+00 Gb(Abramov) 0.2348880E-02 Vb(Abramov) -0.1479625E-02 Hb(Abramov) 0.8692542E-03 Ex_ueg -0.3537598E-03 Ec_ueg -0.7188233E-04 Delta_ex -0.4957190E-03 Delta_ec 0.2366952E-03 Delta_et -0.1197483E-02 Pxc 0.4921373E+01 Qxc -0.2094335E+01 3,+3 106 3 +1 1.660990 0.478465 0.546919 Rho 0.7271339E-02 |GRAD(Rho)| 0.7134738E-17 GRAD(Rho)x 0.3873872E-17 GRAD(Rho)y 0.4931920E-17 GRAD(Rho)z -0.3402025E-17 Laplacian 0.2863234E-01 (-1/4)Del**2(Rho)) -0.7158085E-02 Diamond 0.6274414E-03 Metallicity 0.6568209E+00 Ellipticity -0.1400467E+01 Gb(Abramov) 0.5555654E-02 Vb(Abramov) -0.3953222E-02 Hb(Abramov) 0.1602432E-02 Ex_ueg -0.1040409E-02 Ec_ueg -0.2459302E-03 Delta_ex -0.1264015E-02 Delta_ec 0.4207082E-03 Delta_et -0.2738300E-02 Pxc 0.4230506E+01 Qxc -0.3004493E+01 3,+1 107 3 +1 -0.155469 0.166970 2.916323 Rho 0.5538262E-02 |GRAD(Rho)| 0.8309052E-13 GRAD(Rho)x -0.5579455E-13 GRAD(Rho)y 0.5632061E-13 GRAD(Rho)z 0.2487954E-13 Laplacian 0.2280099E-01 (-1/4)Del**2(Rho)) -0.5700247E-02 Diamond 0.6197500E-03 Metallicity 0.5239405E+00 Ellipticity -0.4332401E+01 Gb(Abramov) 0.4297930E-02 Vb(Abramov) -0.2895613E-02 Hb(Abramov) 0.1402317E-02 Ex_ueg -0.7236853E-03 Ec_ueg -0.1701495E-03 Delta_ex -0.1164229E-02 Delta_ec 0.7319590E-03 Delta_et -0.4093390E-02 Pxc 0.4253233E+01 Qxc -0.1590566E+01 3,+1 108 3 -1 -0.022136 -3.326042 -1.236611 Rho 0.2478569E-01 |GRAD(Rho)| 0.3786959E-16 GRAD(Rho)x 0.2429151E-16 GRAD(Rho)y 0.2280624E-16 GRAD(Rho)z 0.1799733E-16 Laplacian 0.8321721E-01 (-1/4)Del**2(Rho)) -0.2080430E-01 Diamond 0.2557365E-01 Metallicity 0.1744757E+01 Ellipticity 0.6930994E-02 Gb(Abramov) 0.1991928E-01 Vb(Abramov) -0.1903425E-01 Hb(Abramov) 0.8850261E-03 Ex_ueg -0.5337276E-02 Ec_ueg -0.1077930E-02 Delta_ex -0.6791670E-02 Delta_ec 0.4318595E-02 Delta_et -0.3734912E-01 Pxc 0.4951413E+01 Qxc -0.1572657E+01 3,-1 109 3 -1 -0.899562 -3.500062 -1.269720 Rho 0.3234745E+00 |GRAD(Rho)| 0.3817690E-12 GRAD(Rho)x -0.2981239E-12 GRAD(Rho)y -0.1285541E-12 GRAD(Rho)z -0.2008569E-12 Laplacian -0.1682724E+01 (-1/4)Del**2(Rho)) 0.4206811E+00 Diamond 0.5870625E+01 Metallicity -0.6242141E+01 Ellipticity 0.3246789E-02 Gb(Abramov) 0.1572044E+00 Vb(Abramov) -0.7350898E+00 Hb(Abramov) -0.5778854E+00 Ex_ueg -0.1639979E+00 Ec_ueg -0.2040084E-01 Delta_ex 0.1685932E+00 Delta_ec 0.5815366E-01 Delta_et -0.1388614E+01 Pxc 0.8038783E+01 Qxc 0.2899099E+01 3,-1 110 3 +1 0.488549 -0.745295 -1.770295 Rho 0.6156316E-02 |GRAD(Rho)| 0.1274285E-16 GRAD(Rho)x 0.3865169E-17 GRAD(Rho)y 0.4631858E-17 GRAD(Rho)z 0.1122437E-16 Laplacian 0.2398851E-01 (-1/4)Del**2(Rho)) -0.5997127E-02 Diamond 0.5379178E-03 Metallicity 0.5940342E+00 Ellipticity -0.1679618E+01 Gb(Abramov) 0.4591834E-02 Vb(Abramov) -0.3186542E-02 Hb(Abramov) 0.1405293E-02 Ex_ueg -0.8333222E-03 Ec_ueg -0.1970082E-03 Delta_ex -0.1100072E-02 Delta_ec 0.5014187E-03 Delta_et -0.2998028E-02 Pxc 0.4229885E+01 Qxc -0.2193918E+01 3,+1 111 3 -1 -0.567583 1.757031 -2.758925 Rho 0.1492035E+00 |GRAD(Rho)| 0.2172275E-15 GRAD(Rho)x -0.1560980E-15 GRAD(Rho)y -0.1275564E-15 GRAD(Rho)z 0.8093569E-16 Laplacian 0.6376171E+00 (-1/4)Del**2(Rho)) -0.1594043E+00 Diamond 0.1274519E+01 Metallicity 0.4536123E+01 Ellipticity 0.1687769E-01 Gb(Abramov) 0.2267824E+00 Vb(Abramov) -0.2941606E+00 Hb(Abramov) -0.6737814E-01 Ex_ueg -0.5844630E-01 Ec_ueg -0.8392545E-02 Delta_ex -0.6829049E-01 Delta_ec 0.1603128E-01 Delta_et -0.2128651E+00 Pxc 0.6964073E+01 Qxc -0.4259826E+01 3,-1 112 3 +1 -1.070151 2.129891 1.395279 Rho 0.2753122E-01 |GRAD(Rho)| 0.1132815E-15 GRAD(Rho)x 0.1589605E-16 GRAD(Rho)y 0.9865818E-16 GRAD(Rho)z 0.5335323E-16 Laplacian 0.1107224E+00 (-1/4)Del**2(Rho)) -0.2768060E-01 Diamond 0.1682030E-01 Metallicity 0.1562261E+01 Ellipticity -0.4213855E+01 Gb(Abramov) 0.2566112E-01 Vb(Abramov) -0.2364164E-01 Hb(Abramov) 0.2019479E-02 Ex_ueg -0.6139774E-02 Ec_ueg -0.1216983E-02 Delta_ex -0.7093529E-02 Delta_ec 0.1926967E-02 Delta_et -0.1740475E-01 Pxc 0.5045079E+01 Qxc -0.3681188E+01 3,+1 113 3 -1 0.067350 2.962400 -0.036388 Rho 0.5776576E-02 |GRAD(Rho)| 0.3398338E-17 GRAD(Rho)x 0.3092565E-17 GRAD(Rho)y 0.6343435E-18 GRAD(Rho)z -0.1257914E-17 Laplacian 0.2320649E-01 (-1/4)Del**2(Rho)) -0.5801621E-02 Diamond 0.7632255E-03 Metallicity 0.5522316E+00 Ellipticity 0.2678786E+01 Gb(Abramov) 0.4401721E-02 Vb(Abramov) -0.3001820E-02 Hb(Abramov) 0.1399901E-02 Ex_ueg -0.7655009E-03 Ec_ueg -0.1804836E-03 Delta_ex -0.1268002E-02 Delta_ec 0.8758159E-03 Delta_et -0.4909299E-02 Pxc 0.4241388E+01 Qxc -0.1447795E+01 3,-1 114 3 -1 -0.848060 2.006207 3.031254 Rho 0.1233777E+00 |GRAD(Rho)| 0.3846812E-14 GRAD(Rho)x 0.2214198E-14 GRAD(Rho)y 0.2982572E-14 GRAD(Rho)z 0.9997767E-15 Laplacian 0.4831512E+00 (-1/4)Del**2(Rho)) -0.1207878E+00 Diamond 0.7682002E+00 Metallicity 0.4361053E+01 Ellipticity 0.4224602E-01 Gb(Abramov) 0.1683189E+00 Vb(Abramov) -0.2158499E+00 Hb(Abramov) -0.4753106E-01 Ex_ueg -0.4536289E-01 Ec_ueg -0.6761782E-02 Delta_ex -0.4940569E-01 Delta_ec 0.1271206E-01 Delta_et -0.1639329E+00 Pxc 0.6708718E+01 Qxc -0.3886522E+01 3,-1 115 3 +1 2.153962 1.282073 -1.125833 Rho 0.2639213E-01 |GRAD(Rho)| 0.2308329E-16 GRAD(Rho)x 0.3928773E-17 GRAD(Rho)y 0.4483579E-17 GRAD(Rho)z -0.2230024E-16 Laplacian 0.1056173E+00 (-1/4)Del**2(Rho)) -0.2640433E-01 Diamond 0.1600020E-01 Metallicity 0.1526401E+01 Ellipticity -0.6370545E+01 Gb(Abramov) 0.2432015E-01 Vb(Abramov) -0.2223598E-01 Hb(Abramov) 0.2084177E-02 Ex_ueg -0.5803423E-02 Ec_ueg -0.1159058E-02 Delta_ex -0.6777565E-02 Delta_ec 0.1993647E-02 Delta_et -0.1779329E-01 Pxc 0.5007018E+01 Qxc -0.3399582E+01 3,+1 116 3 -1 -0.575975 -1.790517 2.785251 Rho 0.1337404E+00 |GRAD(Rho)| 0.2098217E-15 GRAD(Rho)x 0.1980024E-16 GRAD(Rho)y -0.1799234E-15 GRAD(Rho)z -0.1061163E-15 Laplacian 0.5569436E+00 (-1/4)Del**2(Rho)) -0.1392359E+00 Diamond 0.9879279E+00 Metallicity 0.4327523E+01 Ellipticity 0.1138647E-01 Gb(Abramov) 0.1932484E+00 Vb(Abramov) -0.2472608E+00 Hb(Abramov) -0.5401247E-01 Ex_ueg -0.5051283E-01 Ec_ueg -0.7410935E-02 Delta_ex -0.5821309E-01 Delta_ec 0.1462807E-01 Delta_et -0.1916201E+00 Pxc 0.6815986E+01 Qxc -0.3979548E+01 3,-1 117 3 -1 0.509132 1.673330 -1.712945 Rho 0.5276457E-01 |GRAD(Rho)| 0.1259862E-13 GRAD(Rho)x -0.4075185E-14 GRAD(Rho)y 0.8579050E-14 GRAD(Rho)z -0.8277564E-14 Laplacian 0.2119741E+00 (-1/4)Del**2(Rho)) -0.5299352E-01 Diamond 0.1146891E+00 Metallicity 0.2413058E+01 Ellipticity 0.1205742E-01 Gb(Abramov) 0.5664175E-01 Vb(Abramov) -0.6028998E-01 Hb(Abramov) -0.3648230E-02 Ex_ueg -0.1461644E-01 Ec_ueg -0.2568249E-02 Delta_ex -0.1764961E-01 Delta_ec 0.6247335E-02 Delta_et -0.6678313E-01 Pxc 0.5691207E+01 Qxc -0.2825142E+01 3,-1 118 3 -1 0.231316 -1.204136 -1.946849 Rho 0.6897938E-02 |GRAD(Rho)| 0.6054812E-17 GRAD(Rho)x 0.3977512E-17 GRAD(Rho)y 0.1788640E-17 GRAD(Rho)z -0.4200108E-17 Laplacian 0.2734163E-01 (-1/4)Del**2(Rho)) -0.6835408E-02 Diamond 0.1180974E-02 Metallicity 0.6299714E+00 Ellipticity 0.4695949E+00 Gb(Abramov) 0.5274624E-02 Vb(Abramov) -0.3713840E-02 Hb(Abramov) 0.1560784E-02 Ex_ueg -0.9697893E-03 Ec_ueg -0.2294814E-03 Delta_ex -0.1568256E-02 Delta_ec 0.1074507E-02 Delta_et -0.6343420E-02 Pxc 0.4226004E+01 Qxc -0.1459511E+01 3,-1 119 3 -1 -0.570634 -0.545163 -0.539091 Rho 0.1906975E+00 |GRAD(Rho)| 0.3413197E-11 GRAD(Rho)x 0.2038945E-11 GRAD(Rho)y 0.1888410E-11 GRAD(Rho)z 0.1981547E-11 Laplacian 0.5150962E+00 (-1/4)Del**2(Rho)) -0.1287741E+00 Diamond 0.1395097E+01 Metallicity 0.8452136E+01 Ellipticity 0.2227065E-01 Gb(Abramov) 0.2672520E+00 Vb(Abramov) -0.4057300E+00 Hb(Abramov) -0.1384780E+00 Ex_ueg -0.8106718E-01 Ec_ueg -0.1109792E-01 Delta_ex -0.5875100E-01 Delta_ec 0.1231563E-01 Delta_et -0.1687151E+00 Pxc 0.7304721E+01 Qxc -0.4770444E+01 3,-1 120 3 +3 1.958819 -1.960459 1.956278 Rho 0.1177577E-01 |GRAD(Rho)| 0.2517084E-16 GRAD(Rho)x -0.1131547E-16 GRAD(Rho)y -0.2120954E-16 GRAD(Rho)z -0.7462366E-17 Laplacian 0.5456800E-01 (-1/4)Del**2(Rho)) -0.1364200E-01 Diamond 0.1502698E-02 Metallicity 0.7697039E+00 Ellipticity -0.9800359E+00 Gb(Abramov) 0.1084472E-01 Vb(Abramov) -0.8047433E-02 Hb(Abramov) 0.2797283E-02 Ex_ueg -0.1978657E-02 Ec_ueg -0.4492274E-03 Delta_ex -0.2482849E-02 Delta_ec 0.3760168E-03 Delta_et -0.3064391E-02 Pxc 0.4404578E+01 Qxc -0.6603026E+01 3,+3 121 3 -1 -0.080764 -3.195391 3.189397 Rho 0.2432726E+00 |GRAD(Rho)| 0.7830669E-15 GRAD(Rho)x -0.2423734E-15 GRAD(Rho)y -0.4535218E-15 GRAD(Rho)z 0.5905649E-15 Laplacian 0.8991274E+00 (-1/4)Del**2(Rho)) -0.2247819E+00 Diamond 0.3217103E+01 Metallicity 0.7265753E+01 Ellipticity 0.3866486E-02 Gb(Abramov) 0.4220561E+00 Vb(Abramov) -0.6193304E+00 Hb(Abramov) -0.1972743E+00 Ex_ueg -0.1121612E+00 Ec_ueg -0.1466563E-01 Delta_ex -0.1089391E+00 Delta_ec 0.1964149E-01 Delta_et -0.2715535E+00 Pxc 0.7647894E+01 Qxc -0.5546375E+01 3,-1 122 3 -1 -0.607820 -2.764938 1.821177 Rho 0.1628882E+00 |GRAD(Rho)| 0.2129405E-15 GRAD(Rho)x -0.8193858E-16 GRAD(Rho)y -0.1357150E-15 GRAD(Rho)z -0.1421660E-15 Laplacian 0.6836234E+00 (-1/4)Del**2(Rho)) -0.1709059E+00 Diamond 0.1515599E+01 Metallicity 0.4897176E+01 Ellipticity 0.2887542E-01 Gb(Abramov) 0.2534299E+00 Vb(Abramov) -0.3359540E+00 Hb(Abramov) -0.8252405E-01 Ex_ueg -0.6570090E-01 Ec_ueg -0.9273587E-02 Delta_ex -0.7480139E-01 Delta_ec 0.1676725E-01 Delta_et -0.2250681E+00 Pxc 0.7084734E+01 Qxc -0.4461159E+01 3,-1 123 3 +1 -0.232270 -2.390973 -1.132616 Rho 0.7357931E-02 |GRAD(Rho)| 0.1099037E-15 GRAD(Rho)x -0.9994535E-16 GRAD(Rho)y 0.1810870E-16 GRAD(Rho)z 0.4197405E-16 Laplacian 0.2878562E-01 (-1/4)Del**2(Rho)) -0.7196405E-02 Diamond 0.7941084E-03 Metallicity 0.6663419E+00 Ellipticity -0.1714000E+01 Gb(Abramov) 0.5596814E-02 Vb(Abramov) -0.3997223E-02 Hb(Abramov) 0.1599591E-02 Ex_ueg -0.1056962E-02 Ec_ueg -0.2497540E-03 Delta_ex -0.1359428E-02 Delta_ec 0.5745769E-03 Delta_et -0.3628378E-02 Pxc 0.4232011E+01 Qxc -0.2365964E+01 3,+1 124 3 +3 0.002768 2.270112 0.057609 Rho 0.4550275E-02 |GRAD(Rho)| 0.2499462E-16 GRAD(Rho)x -0.4287658E-17 GRAD(Rho)y 0.2462408E-16 GRAD(Rho)z 0.4376383E-19 Laplacian 0.1866783E-01 (-1/4)Del**2(Rho)) -0.4666959E-02 Diamond 0.1486435E-03 Metallicity 0.4612277E+00 Ellipticity -0.3329865E+00 Gb(Abramov) 0.3470061E-02 Vb(Abramov) -0.2273163E-02 Hb(Abramov) 0.1196898E-02 Ex_ueg -0.5568890E-03 Ec_ueg -0.1276109E-03 Delta_ex -0.6642131E-03 Delta_ec 0.1462538E-03 Delta_et -0.9522834E-03 Pxc 0.4363959E+01 Qxc -0.4541511E+01 3,+3 125 3 -1 -0.544133 1.725460 1.743197 Rho 0.3854848E-01 |GRAD(Rho)| 0.8609153E-13 GRAD(Rho)x -0.7024370E-13 GRAD(Rho)y -0.2061966E-13 GRAD(Rho)z -0.4530345E-13 Laplacian 0.1604370E+00 (-1/4)Del**2(Rho)) -0.4010925E-01 Diamond 0.5803386E-01 Metallicity 0.1889387E+01 Ellipticity 0.5045923E-01 Gb(Abramov) 0.3936981E-01 Vb(Abramov) -0.3863037E-01 Hb(Abramov) 0.7394374E-03 Ex_ueg -0.9617484E-02 Ec_ueg -0.1792416E-02 Delta_ex -0.1243316E-01 Delta_ec 0.4890204E-02 Delta_et -0.4812633E-01 Pxc 0.5365654E+01 Qxc -0.2542462E+01 3,-1 126 3 -1 -0.554891 2.747320 -1.774551 Rho 0.1467382E+00 |GRAD(Rho)| 0.1541651E-13 GRAD(Rho)x 0.9759093E-14 GRAD(Rho)y -0.2559510E-14 GRAD(Rho)z -0.1165666E-13 Laplacian 0.6104710E+00 (-1/4)Del**2(Rho)) -0.1526178E+00 Diamond 0.1199424E+01 Metallicity 0.4608079E+01 Ellipticity 0.9998705E-02 Gb(Abramov) 0.2189576E+00 Vb(Abramov) -0.2852975E+00 Hb(Abramov) -0.6633986E-01 Ex_ueg -0.5716223E-01 Ec_ueg -0.8235038E-02 Delta_ex -0.6515005E-01 Delta_ec 0.1547372E-01 Delta_et -0.2051251E+00 Pxc 0.6941344E+01 Qxc -0.4210368E+01 3,-1 127 3 -1 -0.064703 3.139305 -3.178345 Rho 0.2444489E+00 |GRAD(Rho)| 0.3995611E-10 GRAD(Rho)x 0.6937245E-11 GRAD(Rho)y -0.2759966E-10 GRAD(Rho)z 0.2804681E-10 Laplacian 0.9039621E+00 (-1/4)Del**2(Rho)) -0.2259905E+00 Diamond 0.3250632E+01 Metallicity 0.7285228E+01 Ellipticity 0.2058365E-02 Gb(Abramov) 0.4250591E+00 Vb(Abramov) -0.6241276E+00 Hb(Abramov) -0.1990686E+00 Ex_ueg -0.1128849E+00 Ec_ueg -0.1474720E-01 Delta_ex -0.1096498E+00 Delta_ec 0.1969438E-01 Delta_et -0.2722095E+00 Pxc 0.7654669E+01 Qxc -0.5567566E+01 3,-1 128 3 +1 0.181321 2.954002 -0.151317 Rho 0.5759563E-02 |GRAD(Rho)| 0.1230510E-14 GRAD(Rho)x 0.8829778E-15 GRAD(Rho)y 0.4453305E-16 GRAD(Rho)z -0.8558756E-15 Laplacian 0.2378436E-01 (-1/4)Del**2(Rho)) -0.5946090E-02 Diamond 0.6634832E-03 Metallicity 0.5361722E+00 Ellipticity -0.3377889E+01 Gb(Abramov) 0.4495415E-02 Vb(Abramov) -0.3044739E-02 Hb(Abramov) 0.1450675E-02 Ex_ueg -0.7624964E-03 Ec_ueg -0.1797449E-03 Delta_ex -0.1209934E-02 Delta_ec 0.7388380E-03 Delta_et -0.4190352E-02 Pxc 0.4242102E+01 Qxc -0.1637618E+01 3,+1 129 3 -1 -0.836574 2.980628 2.018290 Rho 0.1433800E+00 |GRAD(Rho)| 0.7573251E-15 GRAD(Rho)x 0.5673901E-15 GRAD(Rho)y -0.2644843E-15 GRAD(Rho)z 0.4262134E-15 Laplacian 0.5589420E+00 (-1/4)Del**2(Rho)) -0.1397355E+00 Diamond 0.1060357E+01 Metallicity 0.4842399E+01 Ellipticity 0.5368803E-01 Gb(Abramov) 0.2059328E+00 Vb(Abramov) -0.2721302E+00 Hb(Abramov) -0.6619734E-01 Ex_ueg -0.5542466E-01 Ec_ueg -0.8021092E-02 Delta_ex -0.5923185E-01 Delta_ec 0.1410321E-01 Delta_et -0.1860218E+00 Pxc 0.6909864E+01 Qxc -0.4199884E+01 3,-1 130 3 -1 0.077176 3.204951 3.224534 Rho 0.2330980E+00 |GRAD(Rho)| 0.2271316E-13 GRAD(Rho)x -0.4879045E-14 GRAD(Rho)y -0.1540456E-13 GRAD(Rho)z -0.1596190E-13 Laplacian 0.8330384E+00 (-1/4)Del**2(Rho)) -0.2082596E+00 Diamond 0.2860467E+01 Metallicity 0.7303186E+01 Ellipticity 0.8045041E-02 Gb(Abramov) 0.3923328E+00 Vb(Abramov) -0.5764061E+00 Hb(Abramov) -0.1840732E+00 Ex_ueg -0.1059505E+00 Ec_ueg -0.1396330E-01 Delta_ex -0.9997317E-01 Delta_ec 0.1871859E-01 Delta_et -0.2596674E+00 Pxc 0.7587784E+01 Qxc -0.5340849E+01 3,-1 131 3 -1 0.114961 -2.042665 -1.086954 Rho 0.8147351E-02 |GRAD(Rho)| 0.3110847E-15 GRAD(Rho)x 0.2049204E-15 GRAD(Rho)y 0.2340207E-15 GRAD(Rho)z 0.3952409E-17 Laplacian 0.3114284E-01 (-1/4)Del**2(Rho)) -0.7785710E-02 Diamond 0.1618699E-02 Metallicity 0.7299318E+00 Ellipticity 0.4152911E+00 Gb(Abramov) 0.6137646E-02 Vb(Abramov) -0.4489582E-02 Hb(Abramov) 0.1648064E-02 Ex_ueg -0.1210803E-02 Ec_ueg -0.2847731E-03 Delta_ex -0.1812376E-02 Delta_ec 0.1168362E-02 Delta_et -0.7272548E-02 Pxc 0.4251818E+01 Qxc -0.1551211E+01 3,-1 132 3 +3 1.004193 -1.182919 -1.230409 Rho 0.4451728E-02 |GRAD(Rho)| 0.3133641E-17 GRAD(Rho)x 0.2840662E-18 GRAD(Rho)y 0.2773562E-17 GRAD(Rho)z 0.1430513E-17 Laplacian 0.1718466E-01 (-1/4)Del**2(Rho)) -0.4296166E-02 Diamond 0.1272370E-03 Metallicity 0.4830808E+00 Ellipticity -0.4025588E+00 Gb(Abramov) 0.3210010E-02 Vb(Abramov) -0.2123854E-02 Hb(Abramov) 0.1086156E-02 Ex_ueg -0.5408662E-03 Ec_ueg -0.1233953E-03 Delta_ex -0.6019067E-03 Delta_ec 0.1238252E-03 Delta_et -0.8199931E-03 Pxc 0.4383201E+01 Qxc -0.4860937E+01 3,+3 133 3 -1 0.488431 -1.757901 1.686835 Rho 0.5152494E-01 |GRAD(Rho)| 0.5874802E-16 GRAD(Rho)x -0.5370824E-17 GRAD(Rho)y -0.4223476E-16 GRAD(Rho)z -0.4048098E-16 Laplacian 0.2071087E+00 (-1/4)Del**2(Rho)) -0.5177717E-01 Diamond 0.1084541E+00 Metallicity 0.2373800E+01 Ellipticity 0.1377020E-01 Gb(Abramov) 0.5500289E-01 Vb(Abramov) -0.5822860E-01 Hb(Abramov) -0.3225714E-02 Ex_ueg -0.1416039E-01 Ec_ueg -0.2499339E-02 Delta_ex -0.1713947E-01 Delta_ec 0.6102223E-02 Delta_et -0.6483131E-01 Pxc 0.5665652E+01 Qxc -0.2808725E+01 3,-1 134 3 +1 0.414501 -1.792195 -0.700403 Rho 0.7264250E-02 |GRAD(Rho)| 0.5982918E-17 GRAD(Rho)x -0.1994665E-17 GRAD(Rho)y 0.4928557E-17 GRAD(Rho)z -0.2743346E-17 Laplacian 0.2777273E-01 (-1/4)Del**2(Rho)) -0.6943182E-02 Diamond 0.7353238E-03 Metallicity 0.6760508E+00 Ellipticity -0.1722628E+01 Gb(Abramov) 0.5411112E-02 Vb(Abramov) -0.3879042E-02 Hb(Abramov) 0.1532070E-02 Ex_ueg -0.1039057E-02 Ec_ueg -0.2456174E-03 Delta_ex -0.1297734E-02 Delta_ec 0.5365631E-03 Delta_et -0.3386880E-02 Pxc 0.4230390E+01 Qxc -0.2418605E+01 3,+1 135 3 +1 1.356341 -1.076705 2.132938 Rho 0.2581437E-01 |GRAD(Rho)| 0.2295553E-16 GRAD(Rho)x -0.1860515E-16 GRAD(Rho)y 0.5377734E-17 GRAD(Rho)z -0.1232415E-16 Laplacian 0.1016742E+00 (-1/4)Del**2(Rho)) -0.2541856E-01 Diamond 0.1333476E-01 Metallicity 0.1528170E+01 Ellipticity -0.3063771E+01 Gb(Abramov) 0.2341968E-01 Vb(Abramov) -0.2142081E-01 Hb(Abramov) 0.1998874E-02 Ex_ueg -0.5634653E-02 Ec_ueg -0.1129803E-02 Delta_ex -0.6319416E-02 Delta_ec 0.1620708E-02 Delta_et -0.1444047E-01 Pxc 0.4987286E+01 Qxc -0.3899171E+01 3,+1 136 3 -1 0.401869 0.405596 -0.504224 Rho 0.1786034E+00 |GRAD(Rho)| 0.1443286E-11 GRAD(Rho)x -0.8473222E-12 GRAD(Rho)y -0.8062197E-12 GRAD(Rho)z 0.8456534E-12 Laplacian 0.4716188E+00 (-1/4)Del**2(Rho)) -0.1179047E+00 Diamond 0.1204836E+01 Metallicity 0.8276339E+01 Ellipticity 0.6792400E-03 Gb(Abramov) 0.2412396E+00 Vb(Abramov) -0.3645746E+00 Hb(Abramov) -0.1233350E+00 Ex_ueg -0.7428560E-01 Ec_ueg -0.1029905E-01 Delta_ex -0.5310065E-01 Delta_ec 0.1181430E-01 Delta_et -0.1617845E+00 Pxc 0.7212862E+01 Qxc -0.4494607E+01 3,-1 137 3 +3 1.067481 1.089336 1.060412 Rho 0.4394305E-02 |GRAD(Rho)| 0.3766241E-17 GRAD(Rho)x -0.2165443E-17 GRAD(Rho)y -0.2762738E-17 GRAD(Rho)z 0.1364810E-17 Laplacian 0.1727322E-01 (-1/4)Del**2(Rho)) -0.4318304E-02 Diamond 0.1117870E-03 Metallicity 0.4703166E+00 Ellipticity -0.3338074E+00 Gb(Abramov) 0.3217364E-02 Vb(Abramov) -0.2116425E-02 Hb(Abramov) 0.1100940E-02 Ex_ueg -0.5315841E-03 Ec_ueg -0.1209411E-03 Delta_ex -0.5876505E-03 Delta_ec 0.9715388E-04 Delta_et -0.6903604E-03 Pxc 0.4395396E+01 Qxc -0.6048657E+01 3,+3 138 3 -1 0.846261 -2.994186 1.996561 Rho 0.1449545E+00 |GRAD(Rho)| 0.1005555E-12 GRAD(Rho)x -0.7558166E-13 GRAD(Rho)y 0.3528516E-13 GRAD(Rho)z 0.5615854E-13 Laplacian 0.5672797E+00 (-1/4)Del**2(Rho)) -0.1418199E+00 Diamond 0.1106230E+01 Metallicity 0.4858872E+01 Ellipticity 0.5237365E-01 Gb(Abramov) 0.2093941E+00 Vb(Abramov) -0.2769683E+00 Hb(Abramov) -0.6757418E-01 Ex_ueg -0.5623768E-01 Ec_ueg -0.8121316E-02 Delta_ex -0.6044191E-01 Delta_ec 0.1456988E-01 Delta_et -0.1931331E+00 Pxc 0.6924700E+01 Qxc -0.4148415E+01 3,-1 139 3 -1 1.953984 -3.023283 0.817675 Rho 0.1227266E+00 |GRAD(Rho)| 0.1533825E-15 GRAD(Rho)x -0.4955482E-16 GRAD(Rho)y -0.4516380E-17 GRAD(Rho)z -0.1450866E-15 Laplacian 0.4700873E+00 (-1/4)Del**2(Rho)) -0.1175218E+00 Diamond 0.7501155E+00 Metallicity 0.4442895E+01 Ellipticity 0.3599309E-01 Gb(Abramov) 0.1653707E+00 Vb(Abramov) -0.2132197E+00 Hb(Abramov) -0.4784892E-01 Ex_ueg -0.4504399E-01 Ec_ueg -0.6721238E-02 Delta_ex -0.4810550E-01 Delta_ec 0.1255639E-01 Delta_et -0.1620788E+00 Pxc 0.6701740E+01 Qxc -0.3831157E+01 3,-1 140 3 -1 0.814660 -1.971066 2.986668 Rho 0.1322400E+00 |GRAD(Rho)| 0.3441455E-15 GRAD(Rho)x -0.3269683E-15 GRAD(Rho)y -0.5332919E-16 GRAD(Rho)z -0.9318718E-16 Laplacian 0.5219684E+00 (-1/4)Del**2(Rho)) -0.1304921E+00 Diamond 0.9126504E+00 Metallicity 0.4531481E+01 Ellipticity 0.3239777E-01 Gb(Abramov) 0.1855485E+00 Vb(Abramov) -0.2406049E+00 Hb(Abramov) -0.5505638E-01 Ex_ueg -0.4975866E-01 Ec_ueg -0.7316504E-02 Delta_ex -0.5439987E-01 Delta_ec 0.1373032E-01 Delta_et -0.1795045E+00 Pxc 0.6800880E+01 Qxc -0.3962023E+01 3,-1 141 3 +1 2.152283 -1.435267 1.029586 Rho 0.2433769E-01 |GRAD(Rho)| 0.1900487E-16 GRAD(Rho)x -0.1771455E-16 GRAD(Rho)y 0.3574224E-17 GRAD(Rho)z 0.5882560E-17 Laplacian 0.9456311E-01 (-1/4)Del**2(Rho)) -0.2364078E-01 Diamond 0.1142476E-01 Metallicity 0.1489442E+01 Ellipticity -0.2909489E+01 Gb(Abramov) 0.2162911E-01 Vb(Abramov) -0.1961745E-01 Hb(Abramov) 0.2011663E-02 Ex_ueg -0.5209039E-02 Ec_ueg -0.1055426E-02 Delta_ex -0.5783684E-02 Delta_ec 0.1505323E-02 Delta_et -0.1322550E-01 Pxc 0.4935484E+01 Qxc -0.3842154E+01 3,+1 142 3 +1 1.363399 -2.211512 1.020428 Rho 0.2865754E-01 |GRAD(Rho)| 0.1359892E-14 GRAD(Rho)x 0.9350409E-15 GRAD(Rho)y -0.6176565E-15 GRAD(Rho)z -0.7703929E-15 Laplacian 0.1148351E+00 (-1/4)Del**2(Rho)) -0.2870877E-01 Diamond 0.1718299E-01 Metallicity 0.1610411E+01 Ellipticity -0.3114186E+01 Gb(Abramov) 0.2684467E-01 Vb(Abramov) -0.2498057E-01 Hb(Abramov) 0.1864105E-02 Ex_ueg -0.6476946E-02 Ec_ueg -0.1274572E-02 Delta_ex -0.7323132E-02 Delta_ec 0.1796110E-02 Delta_et -0.1640627E-01 Pxc 0.5081665E+01 Qxc -0.4077218E+01 3,+1 143 3 -1 0.867926 1.942513 -2.968305 Rho 0.1315410E+00 |GRAD(Rho)| 0.3293926E-15 GRAD(Rho)x 0.2645995E-15 GRAD(Rho)y -0.1332213E-15 GRAD(Rho)z -0.1440092E-15 Laplacian 0.5162227E+00 (-1/4)Del**2(Rho)) -0.1290557E+00 Diamond 0.8945948E+00 Metallicity 0.4541624E+01 Ellipticity 0.3729191E-01 Gb(Abramov) 0.1837242E+00 Vb(Abramov) -0.2383927E+00 Hb(Abramov) -0.5466851E-01 Ex_ueg -0.4940830E-01 Ec_ueg -0.7272562E-02 Delta_ex -0.5370524E-01 Delta_ec 0.1354810E-01 Delta_et -0.1768796E+00 Pxc 0.6793795E+01 Qxc -0.3964044E+01 3,-1 144 3 +1 1.736185 1.797857 1.746804 Rho 0.1221879E-01 |GRAD(Rho)| 0.8804590E-12 GRAD(Rho)x -0.6310024E-13 GRAD(Rho)y -0.7512223E-12 GRAD(Rho)z 0.4548531E-12 Laplacian 0.6106420E-01 (-1/4)Del**2(Rho)) -0.1526605E-01 Diamond 0.2502255E-02 Metallicity 0.7314874E+00 Ellipticity -0.1264608E+01 Gb(Abramov) 0.1203852E-01 Vb(Abramov) -0.8810991E-02 Hb(Abramov) 0.3227529E-02 Ex_ueg -0.2078529E-02 Ec_ueg -0.4696786E-03 Delta_ex -0.3014234E-02 Delta_ec 0.7895937E-03 Delta_et -0.5949134E-02 Pxc 0.4425428E+01 Qxc -0.3817449E+01 3,+1 145 3 -1 0.552012 1.826583 2.764635 Rho 0.1467434E+00 |GRAD(Rho)| 0.1892566E-14 GRAD(Rho)x 0.3794030E-15 GRAD(Rho)y 0.1623118E-14 GRAD(Rho)z -0.8962964E-15 Laplacian 0.6127052E+00 (-1/4)Del**2(Rho)) -0.1531763E+00 Diamond 0.1183162E+01 Metallicity 0.4591549E+01 Ellipticity 0.2707636E-01 Gb(Abramov) 0.2193369E+00 Vb(Abramov) -0.2854976E+00 Hb(Abramov) -0.6616064E-01 Ex_ueg -0.5716494E-01 Ec_ueg -0.8235371E-02 Delta_ex -0.6517669E-01 Delta_ec 0.1515106E-01 Delta_et -0.1999964E+00 Pxc 0.6941393E+01 Qxc -0.4301790E+01 3,-1 146 3 -1 0.854846 2.944403 -1.975668 Rho 0.1389509E+00 |GRAD(Rho)| 0.1410719E-14 GRAD(Rho)x -0.1118815E-14 GRAD(Rho)y -0.3856304E-15 GRAD(Rho)z -0.7678997E-15 Laplacian 0.5494991E+00 (-1/4)Del**2(Rho)) -0.1373748E+00 Diamond 0.1018017E+01 Metallicity 0.4674644E+01 Ellipticity 0.3870304E-01 Gb(Abramov) 0.1986129E+00 Vb(Abramov) -0.2598510E+00 Hb(Abramov) -0.6123810E-01 Ex_ueg -0.5315371E-01 Ec_ueg -0.7740009E-02 Delta_ex -0.5794176E-01 Delta_ec 0.1425078E-01 Delta_et -0.1876958E+00 Pxc 0.6867396E+01 Qxc -0.4065866E+01 3,-1 147 3 +1 1.337904 1.088287 -2.159340 Rho 0.2875044E-01 |GRAD(Rho)| 0.1304613E-14 GRAD(Rho)x 0.1286274E-14 GRAD(Rho)y 0.2115752E-15 GRAD(Rho)z 0.5245651E-16 Laplacian 0.1156410E+00 (-1/4)Del**2(Rho)) -0.2891026E-01 Diamond 0.1900568E-01 Metallicity 0.1607837E+01 Ellipticity -0.5393750E+01 Gb(Abramov) 0.2702067E-01 Vb(Abramov) -0.2513108E-01 Hb(Abramov) 0.1889588E-02 Ex_ueg -0.6504957E-02 Ec_ueg -0.1279335E-02 Delta_ex -0.7527477E-02 Delta_ec 0.2070173E-02 Delta_et -0.1888823E-01 Pxc 0.5084638E+01 Qxc -0.3636159E+01 3,+1 148 3 -1 0.391128 -0.542588 0.413133 Rho 0.1817419E+00 |GRAD(Rho)| 0.1594814E-15 GRAD(Rho)x 0.9367507E-16 GRAD(Rho)y 0.1040834E-15 GRAD(Rho)z -0.7632783E-16 Laplacian 0.4847992E+00 (-1/4)Del**2(Rho)) -0.1211998E+00 Diamond 0.1263676E+01 Metallicity 0.8288512E+01 Ellipticity 0.1323738E-02 Gb(Abramov) 0.2482275E+00 Vb(Abramov) -0.3752552E+00 Hb(Abramov) -0.1270277E+00 Ex_ueg -0.7603122E-01 Ec_ueg -0.1050556E-01 Delta_ex -0.5481527E-01 Delta_ec 0.1207576E-01 Delta_et -0.1656540E+00 Pxc 0.7237235E+01 Qxc -0.4539280E+01 3,-1 149 3 +1 1.855462 -1.806072 -1.747480 Rho 0.1322963E-01 |GRAD(Rho)| 0.1788929E-16 GRAD(Rho)x 0.1208846E-17 GRAD(Rho)y 0.9290017E-17 GRAD(Rho)z -0.1524011E-16 Laplacian 0.6195565E-01 (-1/4)Del**2(Rho)) -0.1548891E-01 Diamond 0.2839717E-02 Metallicity 0.8230857E+00 Ellipticity -0.1364356E+01 Gb(Abramov) 0.1245073E-01 Vb(Abramov) -0.9412538E-02 Hb(Abramov) 0.3038187E-02 Ex_ueg -0.2310904E-02 Ec_ueg -0.5166264E-03 Delta_ex -0.3125457E-02 Delta_ec 0.8048594E-03 Delta_et -0.6179629E-02 Pxc 0.4473066E+01 Qxc -0.3883234E+01 3,+1 150 3 +3 2.300311 -0.018740 0.059681 Rho 0.4233822E-02 |GRAD(Rho)| 0.8693437E-17 GRAD(Rho)x -0.7129131E-17 GRAD(Rho)y -0.3823813E-17 GRAD(Rho)z -0.3182732E-17 Laplacian 0.1731979E-01 (-1/4)Del**2(Rho)) -0.4329947E-02 Diamond 0.1342603E-03 Metallicity 0.4408508E+00 Ellipticity -0.3366952E+00 Gb(Abramov) 0.3204775E-02 Vb(Abramov) -0.2079602E-02 Hb(Abramov) 0.1125172E-02 Ex_ueg -0.5058579E-03 Ec_ueg -0.1140915E-03 Delta_ex -0.6154840E-03 Delta_ec 0.1547684E-03 Delta_et -0.9597890E-03 Pxc 0.4433790E+01 Qxc -0.3976807E+01 3,+3 151 3 +1 1.354954 2.125883 -1.069054 Rho 0.2774569E-01 |GRAD(Rho)| 0.8159402E-14 GRAD(Rho)x 0.5918933E-14 GRAD(Rho)y 0.3691292E-14 GRAD(Rho)z 0.4232782E-14 Laplacian 0.1087808E+00 (-1/4)Del**2(Rho)) -0.2719520E-01 Diamond 0.1606653E-01 Metallicity 0.1610844E+01 Ellipticity -0.3808283E+01 Gb(Abramov) 0.2543133E-01 Vb(Abramov) -0.2366747E-01 Hb(Abramov) 0.1763864E-02 Ex_ueg -0.6203627E-02 Ec_ueg -0.1227924E-02 Delta_ex -0.6923492E-02 Delta_ec 0.1785795E-02 Delta_et -0.1617618E-01 Pxc 0.5052124E+01 Qxc -0.3876980E+01 3,+1 152 3 -1 1.166191 -2.303237 -2.027326 Rho 0.3808579E-01 |GRAD(Rho)| 0.3510360E-13 GRAD(Rho)x 0.1756001E-15 GRAD(Rho)y -0.1618922E-13 GRAD(Rho)z 0.3114709E-13 Laplacian 0.1140358E+00 (-1/4)Del**2(Rho)) -0.2850895E-01 Diamond 0.5996017E-01 Metallicity 0.2605215E+01 Ellipticity 0.1596968E-01 Gb(Abramov) 0.3138462E-01 Vb(Abramov) -0.3426030E-01 Hb(Abramov) -0.2875675E-02 Ex_ueg -0.9463876E-02 Ec_ueg -0.1767746E-02 Delta_ex -0.1001194E-01 Delta_ec 0.5620155E-02 Delta_et -0.5530216E-01 Pxc 0.5353640E+01 Qxc -0.1781435E+01 3,-1 153 3 +3 1.954713 1.909923 -1.916299 Rho 0.1247499E-01 |GRAD(Rho)| 0.3724554E-14 GRAD(Rho)x -0.2272926E-14 GRAD(Rho)y -0.2147710E-14 GRAD(Rho)z 0.2023227E-14 Laplacian 0.5872065E-01 (-1/4)Del**2(Rho)) -0.1468016E-01 Diamond 0.1606354E-02 Metallicity 0.7874499E+00 Ellipticity -0.9210552E+00 Gb(Abramov) 0.1171342E-01 Vb(Abramov) -0.8746685E-02 Hb(Abramov) 0.2966739E-02 Ex_ueg -0.2136841E-02 Ec_ueg -0.4815406E-03 Delta_ex -0.2675952E-02 Delta_ec 0.3333737E-03 Delta_et -0.2846117E-02 Pxc 0.4437510E+01 Qxc -0.8026884E+01 3,+3 154 3 +1 2.006084 1.961589 -1.968759 Rho 0.1248466E-01 |GRAD(Rho)| 0.3026736E-15 GRAD(Rho)x -0.2042241E-15 GRAD(Rho)y -0.1599715E-15 GRAD(Rho)z 0.1559261E-15 Laplacian 0.5919433E-01 (-1/4)Del**2(Rho)) -0.1479858E-01 Diamond 0.1870614E-02 Metallicity 0.7821575E+00 Ellipticity -0.1063672E+01 Gb(Abramov) 0.1179486E-01 Vb(Abramov) -0.8791135E-02 Hb(Abramov) 0.3003724E-02 Ex_ueg -0.2139049E-02 Ec_ueg -0.4819886E-03 Delta_ex -0.2766547E-02 Delta_ec 0.4581974E-03 Delta_et -0.3702280E-02 Pxc 0.4437966E+01 Qxc -0.6037894E+01 3,+1 155 3 -1 1.797640 2.823929 0.589833 Rho 0.1530031E+00 |GRAD(Rho)| 0.1099104E-15 GRAD(Rho)x -0.9253666E-16 GRAD(Rho)y 0.5380353E-17 GRAD(Rho)z -0.5906191E-16 Laplacian 0.6423200E+00 (-1/4)Del**2(Rho)) -0.1605800E+00 Diamond 0.1329787E+01 Metallicity 0.4695648E+01 Ellipticity 0.1685582E-01 Gb(Abramov) 0.2327245E+00 Vb(Abramov) -0.3048690E+00 Hb(Abramov) -0.7214452E-01 Ex_ueg -0.6043921E-01 Ec_ueg -0.8636033E-02 Delta_ex -0.6928509E-01 Delta_ec 0.1616079E-01 Delta_et -0.2155856E+00 Pxc 0.6998492E+01 Qxc -0.4287235E+01 3,-1 156 3 -1 1.751687 0.519102 -1.724507 Rho 0.4273536E-01 |GRAD(Rho)| 0.9631407E-16 GRAD(Rho)x 0.5387977E-17 GRAD(Rho)y -0.3730439E-16 GRAD(Rho)z -0.8863268E-16 Laplacian 0.1693887E+00 (-1/4)Del**2(Rho)) -0.4234717E-01 Diamond 0.6795765E-01 Metallicity 0.2125076E+01 Ellipticity 0.2184714E-01 Gb(Abramov) 0.4322993E-01 Vb(Abramov) -0.4411270E-01 Hb(Abramov) -0.8827676E-03 Ex_ueg -0.1103489E-01 Ec_ueg -0.2017432E-02 Delta_ex -0.1333069E-01 Delta_ec 0.4919389E-02 Delta_et -0.4974461E-01 Pxc 0.5469772E+01 Qxc -0.2709826E+01 3,-1 157 3 -1 1.812479 0.536648 2.749666 Rho 0.1088036E+00 |GRAD(Rho)| 0.3475643E-15 GRAD(Rho)x -0.1901826E-15 GRAD(Rho)y 0.2756381E-15 GRAD(Rho)z 0.9303302E-16 Laplacian 0.4517247E+00 (-1/4)Del**2(Rho)) -0.1129312E+00 Diamond 0.6166141E+00 Metallicity 0.3782785E+01 Ellipticity 0.1257755E-01 Gb(Abramov) 0.1464865E+00 Vb(Abramov) -0.1800418E+00 Hb(Abramov) -0.3355532E-01 Ex_ueg -0.3836273E-01 Ec_ueg -0.5861362E-02 Delta_ex -0.4481837E-01 Delta_ec 0.1221498E-01 Delta_et -0.1540230E+00 Pxc 0.6545020E+01 Qxc -0.3669130E+01 3,-1 158 3 +1 2.956565 -0.153045 0.203186 Rho 0.5048335E-02 |GRAD(Rho)| 0.3808136E-17 GRAD(Rho)x 0.6612492E-18 GRAD(Rho)y -0.3015049E-17 GRAD(Rho)z 0.2230277E-17 Laplacian 0.2079425E-01 (-1/4)Del**2(Rho)) -0.5198563E-02 Diamond 0.4658540E-03 Metallicity 0.4923230E+00 Ellipticity -0.2278261E+01 Gb(Abramov) 0.3892271E-02 Vb(Abramov) -0.2585978E-02 Hb(Abramov) 0.1306292E-02 Ex_ueg -0.6396110E-03 Ec_ueg -0.1489934E-03 Delta_ex -0.1012523E-02 Delta_ec 0.6132519E-03 Delta_et -0.3356886E-02 Pxc 0.4292880E+01 Qxc -0.1651072E+01 3,+1 159 3 -1 1.785980 -2.881238 -0.635620 Rho 0.2018405E+00 |GRAD(Rho)| 0.7266296E-15 GRAD(Rho)x 0.3159365E-15 GRAD(Rho)y 0.1147764E-15 GRAD(Rho)z 0.6442058E-15 Laplacian 0.7734033E+00 (-1/4)Del**2(Rho)) -0.1933508E+00 Diamond 0.2202590E+01 Metallicity 0.6188055E+01 Ellipticity 0.9319386E-02 Gb(Abramov) 0.3283115E+00 Vb(Abramov) -0.4632721E+00 Hb(Abramov) -0.1349606E+00 Ex_ueg -0.8744387E-01 Ec_ueg -0.1184127E-01 Delta_ex -0.8922790E-01 Delta_ec 0.1773003E-01 Delta_et -0.2424405E+00 Pxc 0.7384667E+01 Qxc -0.5032587E+01 3,-1 160 3 -1 1.717617 -0.593891 1.705320 Rho 0.3670337E-01 |GRAD(Rho)| 0.5267966E-13 GRAD(Rho)x -0.2452947E-13 GRAD(Rho)y 0.2924041E-14 GRAD(Rho)z -0.4652850E-13 Laplacian 0.1522004E+00 (-1/4)Del**2(Rho)) -0.3805010E-01 Diamond 0.5138187E-01 Metallicity 0.1835301E+01 Ellipticity 0.2841274E-01 Gb(Abramov) 0.3700563E-01 Vb(Abramov) -0.3596116E-01 Hb(Abramov) 0.1044467E-02 Ex_ueg -0.9008650E-02 Ec_ueg -0.1694283E-02 Delta_ex -0.1164582E-01 Delta_ec 0.4626362E-02 Delta_et -0.4492348E-01 Pxc 0.5317086E+01 Qxc -0.2517274E+01 3,-1 161 3 -1 1.655599 -1.800912 0.449099 Rho 0.4408261E-01 |GRAD(Rho)| 0.3704030E-13 GRAD(Rho)x 0.2415094E-13 GRAD(Rho)y -0.2451348E-13 GRAD(Rho)z -0.1370421E-13 Laplacian 0.1799440E+00 (-1/4)Del**2(Rho)) -0.4498600E-01 Diamond 0.7882608E-01 Metallicity 0.2106629E+01 Ellipticity 0.1927257E-01 Gb(Abramov) 0.4578546E-01 Vb(Abramov) -0.4658493E-01 Hb(Abramov) -0.7994659E-03 Ex_ueg -0.1150115E-01 Ec_ueg -0.2090492E-02 Delta_ex -0.1445145E-01 Delta_ec 0.5545256E-02 Delta_et -0.5659660E-01 Pxc 0.5501649E+01 Qxc -0.2606092E+01 3,-1 162 3 -1 1.704752 1.718165 -0.510322 Rho 0.3986408E-01 |GRAD(Rho)| 0.4840013E-16 GRAD(Rho)x 0.4572813E-16 GRAD(Rho)y 0.1513584E-16 GRAD(Rho)z -0.4734597E-17 Laplacian 0.1564396E+00 (-1/4)Del**2(Rho)) -0.3910990E-01 Diamond 0.5686537E-01 Metallicity 0.2049129E+01 Ellipticity 0.1866147E-01 Gb(Abramov) 0.3943014E-01 Vb(Abramov) -0.3975039E-01 Hb(Abramov) -0.3202402E-03 Ex_ueg -0.1005759E-01 Ec_ueg -0.1862779E-02 Delta_ex -0.1208615E-01 Delta_ec 0.4521341E-02 Delta_et -0.4487652E-01 Pxc 0.5399241E+01 Qxc -0.2673134E+01 3,-1 163 3 -1 1.987266 2.981477 -0.833214 Rho 0.1389504E+00 |GRAD(Rho)| 0.3458643E-13 GRAD(Rho)x -0.2718112E-13 GRAD(Rho)y -0.1531227E-13 GRAD(Rho)z -0.1493124E-13 Laplacian 0.5485418E+00 (-1/4)Del**2(Rho)) -0.1371355E+00 Diamond 0.1015664E+01 Metallicity 0.4682775E+01 Ellipticity 0.3355727E-01 Gb(Abramov) 0.1984527E+00 Vb(Abramov) -0.2597700E+00 Hb(Abramov) -0.6131725E-01 Ex_ueg -0.5315347E-01 Ec_ueg -0.7739979E-02 Delta_ex -0.5783443E-01 Delta_ec 0.1421464E-01 Delta_et -0.1871964E+00 Pxc 0.6867392E+01 Qxc -0.4068653E+01 3,-1 164 3 -1 1.951239 -0.583473 -2.817908 Rho 0.1504080E+00 |GRAD(Rho)| 0.4765270E-09 GRAD(Rho)x 0.3179209E-09 GRAD(Rho)y 0.3298291E-09 GRAD(Rho)z 0.1312137E-09 Laplacian 0.5763086E+00 (-1/4)Del**2(Rho)) -0.1440772E+00 Diamond 0.1193214E+01 Metallicity 0.5086388E+01 Ellipticity 0.1151345E+00 Gb(Abramov) 0.2181901E+00 Vb(Abramov) -0.2923031E+00 Hb(Abramov) -0.7411299E-01 Ex_ueg -0.5907624E-01 Ec_ueg -0.8469635E-02 Delta_ex -0.6214493E-01 Delta_ec 0.1499356E-01 Delta_et -0.2005518E+00 Pxc 0.6975063E+01 Qxc -0.4144776E+01 3,-1 165 3 -1 1.976802 -0.857608 2.995566 Rho 0.1374637E+00 |GRAD(Rho)| 0.1626532E-13 GRAD(Rho)x -0.1305317E-13 GRAD(Rho)y -0.8047301E-14 GRAD(Rho)z -0.5423694E-14 Laplacian 0.5338126E+00 (-1/4)Del**2(Rho)) -0.1334531E+00 Diamond 0.9686952E+00 Metallicity 0.4726478E+01 Ellipticity 0.4684782E-01 Gb(Abramov) 0.1940960E+00 Vb(Abramov) -0.2547388E+00 Hb(Abramov) -0.6064284E-01 Ex_ueg -0.5239651E-01 Ec_ueg -0.7645904E-02 Delta_ex -0.5605615E-01 Delta_ec 0.1372912E-01 Delta_et -0.1802214E+00 Pxc 0.6852886E+01 Qxc -0.4083012E+01 3,-1 166 3 -1 2.836092 -0.550738 -1.785692 Rho 0.1424252E+00 |GRAD(Rho)| 0.5355695E-15 GRAD(Rho)x -0.1277224E-15 GRAD(Rho)y 0.4845028E-15 GRAD(Rho)z -0.1891526E-15 Laplacian 0.5856826E+00 (-1/4)Del**2(Rho)) -0.1464207E+00 Diamond 0.1115256E+01 Metallicity 0.4570132E+01 Ellipticity 0.1667569E-01 Gb(Abramov) 0.2091407E+00 Vb(Abramov) -0.2718608E+00 Hb(Abramov) -0.6272008E-01 Ex_ueg -0.5493310E-01 Ec_ueg -0.7960394E-02 Delta_ex -0.6210335E-01 Delta_ec 0.1505104E-01 Delta_et -0.1988743E+00 Pxc 0.6900802E+01 Qxc -0.4126183E+01 3,-1 167 3 -1 2.771175 1.835056 0.602998 Rho 0.1529070E+00 |GRAD(Rho)| 0.6441980E-13 GRAD(Rho)x -0.9733967E-14 GRAD(Rho)y 0.4857440E-13 GRAD(Rho)z -0.4117873E-13 Laplacian 0.6415694E+00 (-1/4)Del**2(Rho)) -0.1603923E+00 Diamond 0.1326458E+01 Metallicity 0.4696222E+01 Ellipticity 0.1273567E-01 Gb(Abramov) 0.2324679E+00 Vb(Abramov) -0.3045435E+00 Hb(Abramov) -0.7207556E-01 Ex_ueg -0.6038860E-01 Ec_ueg -0.8629865E-02 Delta_ex -0.6918590E-01 Delta_ec 0.1613104E-01 Delta_et -0.2151386E+00 Pxc 0.6997630E+01 Qxc -0.4288993E+01 3,-1 168 3 -1 2.993816 2.005312 -0.798184 Rho 0.1381974E+00 |GRAD(Rho)| 0.4110663E-12 GRAD(Rho)x -0.1416473E-12 GRAD(Rho)y 0.2481255E-12 GRAD(Rho)z 0.2955424E-12 Laplacian 0.5481495E+00 (-1/4)Del**2(Rho)) -0.1370374E+00 Diamond 0.1010970E+01 Metallicity 0.4643876E+01 Ellipticity 0.2471856E-01 Gb(Abramov) 0.1974224E+00 Vb(Abramov) -0.2578074E+00 Hb(Abramov) -0.6038498E-01 Ex_ueg -0.5276974E-01 Ec_ueg -0.7692314E-02 Delta_ex -0.5774606E-01 Delta_ec 0.1427551E-01 Delta_et -0.1879486E+00 Pxc 0.6860061E+01 Qxc -0.4045115E+01 3,-1 169 3 -1 3.322965 0.006281 -3.163109 Rho 0.2444000E+00 |GRAD(Rho)| 0.5199549E-12 GRAD(Rho)x -0.3815587E-12 GRAD(Rho)y 0.6925721E-13 GRAD(Rho)z 0.3463661E-12 Laplacian 0.8877851E+00 (-1/4)Del**2(Rho)) -0.2219463E+00 Diamond 0.3203451E+01 Metallicity 0.7415506E+01 Ellipticity 0.2654304E-02 Gb(Abramov) 0.4222715E+00 Vb(Abramov) -0.6225967E+00 Hb(Abramov) -0.2003252E+00 Ex_ueg -0.1128548E+00 Ec_ueg -0.1474381E-01 Delta_ex -0.1077430E+00 Delta_ec 0.1945219E-01 Delta_et -0.2693577E+00 Pxc 0.7654388E+01 Qxc -0.5538861E+01 3,-1 170 3 -1 2.785163 0.552938 1.824449 Rho 0.1190866E+00 |GRAD(Rho)| 0.5698869E-16 GRAD(Rho)x -0.2992567E-16 GRAD(Rho)y 0.3755405E-16 GRAD(Rho)z -0.3068970E-16 Laplacian 0.4972135E+00 (-1/4)Del**2(Rho)) -0.1243034E+00 Diamond 0.7586338E+00 Metallicity 0.3994921E+01 Ellipticity 0.1338146E-01 Gb(Abramov) 0.1656326E+00 Vb(Abramov) -0.2069618E+00 Hb(Abramov) -0.4132924E-01 Ex_ueg -0.4327151E-01 Ec_ueg -0.6495101E-02 Delta_ex -0.5042838E-01 Delta_ec 0.1321608E-01 Delta_et -0.1694469E+00 Pxc 0.6662177E+01 Qxc -0.3815685E+01 3,-1 171 3 -1 3.198123 0.025905 3.206176 Rho 0.2326408E+00 |GRAD(Rho)| 0.4172355E-15 GRAD(Rho)x -0.2989687E-15 GRAD(Rho)y 0.7384772E-16 GRAD(Rho)z -0.2815131E-15 Laplacian 0.8310404E+00 (-1/4)Del**2(Rho)) -0.2077601E+00 Diamond 0.2847062E+01 Metallicity 0.7296830E+01 Ellipticity 0.5125300E-02 Gb(Abramov) 0.3911718E+00 Vb(Abramov) -0.5745834E+00 Hb(Abramov) -0.1834117E+00 Ex_ueg -0.1056735E+00 Ec_ueg -0.1393188E-01 Delta_ex -0.9968355E-01 Delta_ec 0.1868623E-01 Delta_et -0.2592032E+00 Pxc 0.7585018E+01 Qxc -0.5334599E+01 3,-1 172 3 -1 3.039114 0.870201 -1.947928 Rho 0.1421843E+00 |GRAD(Rho)| 0.2389199E-15 GRAD(Rho)x 0.1866047E-15 GRAD(Rho)y 0.1449985E-15 GRAD(Rho)z 0.3516881E-16 Laplacian 0.5771042E+00 (-1/4)Del**2(Rho)) -0.1442761E+00 Diamond 0.1096561E+01 Metallicity 0.4624997E+01 Ellipticity 0.3641353E-01 Gb(Abramov) 0.2073968E+00 Vb(Abramov) -0.2705175E+00 Hb(Abramov) -0.6312070E-01 Ex_ueg -0.5480924E-01 Ec_ueg -0.7945086E-02 Delta_ex -0.6116708E-01 Delta_ec 0.1483430E-01 Delta_et -0.1959562E+00 Pxc 0.6898507E+01 Qxc -0.4123355E+01 3,-1 173 3 -1 3.142689 -3.246183 -0.114863 Rho 0.2286570E+00 |GRAD(Rho)| 0.2575830E-14 GRAD(Rho)x 0.7237592E-15 GRAD(Rho)y -0.2227005E-14 GRAD(Rho)z 0.1073089E-14 Laplacian 0.8322722E+00 (-1/4)Del**2(Rho)) -0.2080680E+00 Diamond 0.2781269E+01 Metallicity 0.7079274E+01 Ellipticity 0.1147578E-01 Gb(Abramov) 0.3842071E+00 Vb(Abramov) -0.5603462E+00 Hb(Abramov) -0.1761391E+00 Ex_ueg -0.1032677E+00 Ec_ueg -0.1365853E-01 Delta_ex -0.9932005E-01 Delta_ec 0.1869256E-01 Delta_et -0.2586012E+00 Pxc 0.7560673E+01 Qxc -0.5313346E+01 3,-1 174 3 -1 -3.016049 -0.947736 -2.081072 Rho 0.1129720E+00 |GRAD(Rho)| 0.1083255E-14 GRAD(Rho)x 0.4465117E-15 GRAD(Rho)y 0.7199373E-15 GRAD(Rho)z -0.6750988E-15 Laplacian 0.4259378E+00 (-1/4)Del**2(Rho)) -0.1064844E+00 Diamond 0.6209462E+00 Metallicity 0.4271219E+01 Ellipticity 0.3015376E-01 Gb(Abramov) 0.1467927E+00 Vb(Abramov) -0.1871009E+00 Hb(Abramov) -0.4030825E-01 Ex_ueg -0.4033477E-01 Ec_ueg -0.6117338E-02 Delta_ex -0.4282095E-01 Delta_ec 0.1174621E-01 Delta_et -0.1496303E+00 Pxc 0.6593516E+01 Qxc -0.3645512E+01 3,-1 175 3 -1 -3.185638 -0.044318 3.253824 Rho 0.2442645E+00 |GRAD(Rho)| 0.3568819E-15 GRAD(Rho)x 0.2159731E-15 GRAD(Rho)y -0.1472618E-15 GRAD(Rho)z 0.2429697E-15 Laplacian 0.8993007E+00 (-1/4)Del**2(Rho)) -0.2248252E+00 Diamond 0.3235368E+01 Metallicity 0.7313784E+01 Ellipticity 0.1084595E-02 Gb(Abramov) 0.4239373E+00 Vb(Abramov) -0.6230494E+00 Hb(Abramov) -0.1991121E+00 Ex_ueg -0.1127714E+00 Ec_ueg -0.1473440E-01 Delta_ex -0.1090859E+00 Delta_ec 0.1963845E-01 Delta_et -0.2716186E+00 Pxc 0.7653609E+01 Qxc -0.5554709E+01 3,-1 176 3 -1 -2.990807 0.878517 2.051664 Rho 0.1446390E+00 |GRAD(Rho)| 0.4607943E-13 GRAD(Rho)x -0.1852258E-13 GRAD(Rho)y -0.2076841E-13 GRAD(Rho)z 0.3672739E-13 Laplacian 0.5718918E+00 (-1/4)Del**2(Rho)) -0.1429729E+00 Diamond 0.1108907E+01 Metallicity 0.4802215E+01 Ellipticity 0.5012424E-01 Gb(Abramov) 0.2097464E+00 Vb(Abramov) -0.2765199E+00 Hb(Abramov) -0.6677348E-01 Ex_ueg -0.5607451E-01 Ec_ueg -0.8101219E-02 Delta_ex -0.6086530E-01 Delta_ec 0.1463270E-01 Delta_et -0.1937657E+00 Pxc 0.6921738E+01 Qxc -0.4159539E+01 3,-1 177 3 -1 -2.793903 1.763936 -0.537621 Rho 0.1946746E+00 |GRAD(Rho)| 0.1447376E-15 GRAD(Rho)x -0.1858051E-16 GRAD(Rho)y 0.6212478E-16 GRAD(Rho)z 0.1293995E-15 Laplacian 0.7940081E+00 (-1/4)Del**2(Rho)) -0.1985020E+00 Diamond 0.2161758E+01 Metallicity 0.5675057E+01 Ellipticity 0.1889758E-01 Gb(Abramov) 0.3200864E+00 Vb(Abramov) -0.4416708E+00 Hb(Abramov) -0.1215844E+00 Ex_ueg -0.8332922E-01 Ec_ueg -0.1136243E-01 Delta_ex -0.9073800E-01 Delta_ec 0.1834205E-01 Delta_et -0.2499717E+00 Pxc 0.7333750E+01 Qxc -0.4946995E+01 3,-1 178 3 -1 -2.772978 -0.529708 1.845572 Rho 0.1345543E+00 |GRAD(Rho)| 0.1294626E-15 GRAD(Rho)x 0.1245952E-15 GRAD(Rho)y 0.2879912E-16 GRAD(Rho)z -0.2017971E-16 Laplacian 0.5611491E+00 (-1/4)Del**2(Rho)) -0.1402873E+00 Diamond 0.1001079E+01 Metallicity 0.4338748E+01 Ellipticity 0.9308279E-02 Gb(Abramov) 0.1949700E+00 Vb(Abramov) -0.2496528E+00 Hb(Abramov) -0.5468277E-01 Ex_ueg -0.5092316E-01 Ec_ueg -0.7462227E-02 Delta_ex -0.5872045E-01 Delta_ec 0.1468434E-01 Delta_et -0.1924789E+00 Pxc 0.6824124E+01 Qxc -0.3998849E+01 3,-1 179 3 -1 -0.533769 0.410222 0.435301 Rho 0.1785967E+00 |GRAD(Rho)| 0.2752914E-15 GRAD(Rho)x 0.1734723E-15 GRAD(Rho)y -0.1734723E-15 GRAD(Rho)z 0.1249001E-15 Laplacian 0.4715514E+00 (-1/4)Del**2(Rho)) -0.1178879E+00 Diamond 0.1201116E+01 Metallicity 0.8277002E+01 Ellipticity 0.1857857E-02 Gb(Abramov) 0.2412182E+00 Vb(Abramov) -0.3645486E+00 Hb(Abramov) -0.1233304E+00 Ex_ueg -0.7428188E-01 Ec_ueg -0.1029861E-01 Delta_ex -0.5306500E-01 Delta_ec 0.1176350E-01 Delta_et -0.1609473E+00 Pxc 0.7212809E+01 Qxc -0.4510986E+01 3,-1 180 3 -1 -2.161579 -0.902156 -3.280307 Rho 0.2244791E+00 |GRAD(Rho)| 0.9357450E-14 GRAD(Rho)x -0.4697902E-14 GRAD(Rho)y 0.5510186E-14 GRAD(Rho)z 0.5927008E-14 Laplacian 0.8542112E+00 (-1/4)Del**2(Rho)) -0.2135528E+00 Diamond 0.2760734E+01 Metallicity 0.6688691E+01 Ellipticity 0.1974148E-01 Gb(Abramov) 0.3804333E+00 Vb(Abramov) -0.5473139E+00 Hb(Abramov) -0.1668805E+00 Ex_ueg -0.1007596E+00 Ec_ueg -0.1337280E-01 Delta_ex -0.1012701E+00 Delta_ec 0.1896323E-01 Delta_et -0.2607919E+00 Pxc 0.7534665E+01 Qxc -0.5340342E+01 3,-1 181 3 -1 -0.061813 0.073269 2.920796 Rho 0.5545669E-02 |GRAD(Rho)| 0.6739510E-17 GRAD(Rho)x 0.4554021E-17 GRAD(Rho)y 0.4922177E-17 GRAD(Rho)z 0.6738417E-18 Laplacian 0.2236572E-01 (-1/4)Del**2(Rho)) -0.5591429E-02 Diamond 0.6829918E-03 Metallicity 0.5353283E+00 Ellipticity 0.4082251E+01 Gb(Abramov) 0.4226495E-02 Vb(Abramov) -0.2861560E-02 Hb(Abramov) 0.1364935E-02 Ex_ueg -0.7249760E-03 Ec_ueg -0.1704702E-03 Delta_ex -0.1202134E-02 Delta_ec 0.8248127E-03 Delta_et -0.4572691E-02 Pxc 0.4252802E+01 Qxc -0.1457463E+01 3,-1 182 3 -1 1.158589 -1.744750 -2.619704 Rho 0.3167938E+00 |GRAD(Rho)| 0.3596739E-12 GRAD(Rho)x 0.1965940E-12 GRAD(Rho)y 0.1667612E-12 GRAD(Rho)z -0.2508123E-12 Laplacian -0.1612224E+01 (-1/4)Del**2(Rho)) 0.4030560E+00 Diamond 0.5585518E+01 Metallicity -0.6292390E+01 Ellipticity 0.4053993E-02 Gb(Abramov) 0.1539936E+00 Vb(Abramov) -0.7110433E+00 Hb(Abramov) -0.5570496E+00 Ex_ueg -0.1594976E+00 Ec_ueg -0.1990951E-01 Delta_ex 0.1598471E+00 Delta_ec 0.5637272E-01 Delta_et -0.1332194E+01 Pxc 0.8011124E+01 Qxc 0.2835540E+01 3,-1 183 3 -1 2.045065 0.844325 -2.978399 Rho 0.1447340E+00 |GRAD(Rho)| 0.7592676E-13 GRAD(Rho)x 0.4685576E-13 GRAD(Rho)y -0.5366100E-13 GRAD(Rho)z 0.2626610E-13 Laplacian 0.5669884E+00 (-1/4)Del**2(Rho)) -0.1417471E+00 Diamond 0.1106442E+01 Metallicity 0.4849050E+01 Ellipticity 0.3732678E-01 Gb(Abramov) 0.2090545E+00 Vb(Abramov) -0.2763620E+00 Hb(Abramov) -0.6730743E-01 Ex_ueg -0.5612365E-01 Ec_ueg -0.8107272E-02 Delta_ex -0.6041765E-01 Delta_ec 0.1462008E-01 Delta_et -0.1938693E+00 Pxc 0.6922630E+01 Qxc -0.4132513E+01 3,-1 184 3 -1 2.752127 -1.840787 -0.599492 Rho 0.1256047E+00 |GRAD(Rho)| 0.1217566E-13 GRAD(Rho)x 0.5480513E-14 GRAD(Rho)y -0.1066916E-13 GRAD(Rho)z 0.2092788E-14 Laplacian 0.5154997E+00 (-1/4)Del**2(Rho)) -0.1288749E+00 Diamond 0.8375601E+00 Metallicity 0.4211089E+01 Ellipticity 0.8814038E-02 Gb(Abramov) 0.1763673E+00 Vb(Abramov) -0.2238596E+00 Hb(Abramov) -0.4749232E-01 Ex_ueg -0.4645789E-01 Ec_ueg -0.6900679E-02 Delta_ex -0.5294201E-01 Delta_ec 0.1350827E-01 Delta_et -0.1747253E+00 Pxc 0.6732364E+01 Qxc -0.3919231E+01 3,-1 185 3 -1 3.002688 -0.863616 2.005587 Rho 0.1731358E+00 |GRAD(Rho)| 0.3867769E-15 GRAD(Rho)x 0.3026279E-16 GRAD(Rho)y -0.1185304E-15 GRAD(Rho)z -0.3669211E-15 Laplacian 0.6700007E+00 (-1/4)Del**2(Rho)) -0.1675002E+00 Diamond 0.1594452E+01 Metallicity 0.5531581E+01 Ellipticity 0.6838091E-01 Gb(Abramov) 0.2660903E+00 Vb(Abramov) -0.3646803E+00 Hb(Abramov) -0.9859008E-01 Ex_ueg -0.7126903E-01 Ec_ueg -0.9940638E-02 Delta_ex -0.7440617E-01 Delta_ec 0.1611876E-01 Delta_et -0.2177225E+00 Pxc 0.7169462E+01 Qxc -0.4616123E+01 3,-1 186 3 -1 2.934967 -2.017527 0.804631 Rho 0.7958364E-01 |GRAD(Rho)| 0.2226128E-15 GRAD(Rho)x 0.4313769E-16 GRAD(Rho)y 0.1403923E-15 GRAD(Rho)z 0.1672890E-15 Laplacian 0.3139933E+00 (-1/4)Del**2(Rho)) -0.7849832E-01 Diamond 0.2939010E+00 Metallicity 0.3231462E+01 Ellipticity 0.1546851E-02 Gb(Abramov) 0.9460961E-01 Vb(Abramov) -0.1107209E+00 Hb(Abramov) -0.1611129E-01 Ex_ueg -0.2528231E-01 Ec_ueg -0.4105919E-02 Delta_ex -0.2898286E-01 Delta_ec 0.9092921E-02 Delta_et -0.1075400E+00 Pxc 0.6157528E+01 Qxc -0.3187410E+01 3,-1 187 3 -1 3.188298 3.229810 0.102890 Rho 0.2453593E+00 |GRAD(Rho)| 0.6077374E-15 GRAD(Rho)x -0.3546425E-15 GRAD(Rho)y -0.4911436E-15 GRAD(Rho)z -0.4849094E-16 Laplacian 0.8877411E+00 (-1/4)Del**2(Rho)) -0.2219353E+00 Diamond 0.3224445E+01 Metallicity 0.7464446E+01 Ellipticity 0.1313133E-02 Gb(Abramov) 0.4240608E+00 Vb(Abramov) -0.6261864E+00 Hb(Abramov) -0.2021256E+00 Ex_ueg -0.1134458E+00 Ec_ueg -0.1481037E-01 Delta_ex -0.1078793E+00 Delta_ec 0.1948387E-01 Delta_et -0.2700777E+00 Pxc 0.7659888E+01 Qxc -0.5536853E+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 80 133 116 122 140 138 121 148 119 136 179 117 111 126 143 146 127 125 145 102 114 129 130 161 184 159 186 139 173 162 167 155 168 163 187 92 177 93 71 95 72 90 74 57 70 56 68 97 76 96 174 180 60 83 178 104 176 84 175 160 170 157 185 165 171 156 166 164 172 183 169 118 131 61 103 182 181 113 152 108 109 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 22 25 28 28 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 52 24 27 52 53 53 2.358186 1.958754 1.880681 1.973976 1.938550 1.738228 1.708977 1.687700 1.716280 1.716288 2.349834 1.912314 1.922152 1.976480 1.954202 1.736450 2.455416 1.898582 1.968378 1.977830 1.919839 1.727936 2.403626 1.960876 1.783409 2.159581 1.982316 1.735328 2.465983 1.905271 1.905241 1.955842 1.954292 1.735342 2.367736 1.816113 1.961185 1.972829 2.025234 1.743535 2.379401 1.932485 2.033393 1.900402 1.946591 1.725996 2.348867 2.219582 1.970469 2.015845 1.741714 1.740820 2.378156 1.956648 1.920895 1.938519 1.925194 1.736708 2.477265 1.979741 2.019050 1.843947 1.934753 1.728717 2.436742 1.934673 1.927958 1.942497 1.938503 1.736825 3.189157 3.075640 3.205354 3.276553 0.997179 3.247753 3.223852 1.765562 1.922493 0.993206 2.359840 1.959106 1.881250 1.974617 1.939174 1.738236 1.708994 1.687747 1.716300 1.716305 2.351383 1.912737 1.922641 1.977124 1.954823 1.736459 2.457183 1.899198 1.968888 1.978567 1.920611 1.727950 2.405436 1.961377 1.783566 2.160371 1.983131 1.735356 2.467634 1.905725 1.905721 1.956450 1.954931 1.735345 2.369196 1.816426 1.961518 1.973400 2.025791 1.743550 2.381692 1.933186 2.033953 1.901175 1.948133 1.726025 2.351312 2.220140 1.970966 2.016597 1.741753 1.740853 2.379832 1.957127 1.921387 1.939171 1.925771 1.736713 2.478899 1.980363 2.019703 1.844476 1.935475 1.728735 2.438212 1.935220 1.929362 1.943109 1.939113 1.736830 3.246327 3.080198 3.233333 3.281719 0.997286 3.256855 3.232564 1.773063 1.923662 0.993334 29 27 27 28 26 22 22 23 21 22 30 27 27 27 28 23 33 29 27 27 27 24 28 26 24 29 26 24 29 27 26 26 26 22 30 24 26 26 28 24 30 26 26 26 28 23 30 28 26 27 24 24 30 28 28 28 28 22 29 25 26 24 25 24 28 25 27 28 26 22 35 33 35 35 22 35 35 29 27 23 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 W As W Mo Mo W W Mo Mo 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 2.4598 2.4561 2.4941 2.3541 2.2783 2.4887 2.4625 2.3305 2.2496 2.4694 2.3240 2.4682 -1.1231 -1.0294 -1.1248 -1.1241 -0.9214 -0.9469 -0.9070 -0.9300 -0.7677 -0.9039 -0.9464 -0.9540 -0.9598 -0.9325 -0.9279 -0.8235 -0.8779 -0.9126 -0.9679 -0.9655 -0.9291 -0.9635 -0.9317 -0.7023 -0.7509 -0.9269 -0.9428 -0.9666 -0.7832 -0.7833 -0.7779 -0.7139 -0.7251 -0.7810 -0.8021 -0.6967 -0.7307 -0.7816 -0.7139 0.2946 0.3200 2.0921 0.8275 2.0871 1.9510 1.9735 2.0825 2.0913 1.9680 1.9879 2.0873 1.9503 2.0944 1.9375 1.9514 1.9344 1.9338 1.9367 1.9350 1.9464 1.9361 1.8773 1.9415 1.9351 1.9331 1.9325 1.9361 1.9365 1.9748 1.9552 1.9476 1.9428 1.9447 1.9466 1.9437 1.9452 1.9748 1.8818 1.9471 1.9462 1.9432 1.9668 1.9658 1.9676 1.9771 1.9750 1.9678 1.9638 1.9785 1.9721 1.9671 1.9769 0.5514 0.5440 6.0969 1.1632 6.0870 6.0612 6.0926 6.0852 6.0894 6.0798 6.0908 6.0939 6.0757 6.1002 5.1481 5.0412 5.1535 5.1528 4.9571 4.9841 4.9307 4.9658 4.8587 4.9376 4.9840 4.9907 4.9973 4.9675 4.9626 4.8178 4.8951 4.9371 4.9932 4.9888 4.9529 4.9887 4.9560 4.6956 4.8397 4.9522 4.9672 4.9917 4.7806 4.7817 4.7743 4.7031 4.7176 4.7771 4.8035 4.6843 4.7269 4.7786 4.7035 0.1541 0.1360 3.3218 10.5533 3.3024 3.6338 3.6556 3.3143 3.3276 3.6217 3.6718 3.3201 3.6500 3.3082 0.0374 0.0369 0.0370 0.0375 0.0276 0.0277 0.0299 0.0281 0.0317 0.0249 0.0274 0.0301 0.0301 0.0289 0.0288 0.0310 0.0276 0.0280 0.0319 0.0320 0.0296 0.0311 0.0305 0.0318 0.0295 0.0276 0.0294 0.0317 0.0358 0.0358 0.0360 0.0336 0.0324 0.0362 0.0348 0.0339 0.0317 0.0359 0.0336 0.0000 0.0000 14.0294 0.0000 14.0293 0.0000 0.0000 14.0293 14.0293 0.0000 0.0000 14.0294 0.0000 14.0290 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 W As W Mo Mo W W Mo Mo 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 2.511976 2.313346 2.517445 3.175855 3.148419 2.511960 2.497997 3.185028 3.155469 2.513119 3.171678 2.513451 -1.167818 -1.116568 -1.097533 -1.133158 -1.074777 -1.075160 -1.001590 -1.060799 -0.615421 -1.180505 -1.069941 -0.957401 -0.961766 -1.046296 -1.063558 -0.922662 -1.133074 -1.155613 -0.944402 -0.941443 -1.057481 -0.936670 -1.046272 -0.972077 -0.700274 -1.065501 -1.049957 -0.941812 -0.815085 -0.820911 -0.809858 -0.984374 -0.999450 -0.812110 -0.839495 -0.962574 -1.001716 -0.812844 -0.984497 0.050824 0.065873 1.946298 1.699776 1.946644 2.369414 2.334192 1.948605 1.936373 2.354638 2.349709 1.946006 2.370656 1.946904 -0.851269 -0.833537 -0.753428 -0.801534 -0.808664 -0.824746 -0.804281 -0.819055 -0.747697 -0.925034 -0.813325 -0.718473 -0.724276 -0.805673 -0.819676 -0.726333 -0.935682 -0.926399 -0.758703 -0.770401 -0.854812 -0.753847 -0.853526 -0.760069 -0.837167 -0.875336 -0.854035 -0.766294 -0.702752 -0.706167 -0.705696 -0.756968 -0.772041 -0.705045 -0.731568 -0.716815 -0.784016 -0.703539 -0.752238 0.288386 0.322514 2.046531 1.668870 2.046902 2.456500 2.411485 2.051199 2.031017 2.490476 2.434787 2.046481 2.458086 2.045965 -0.865081 -0.881386 -0.806156 -0.841517 -0.899653 -0.909895 -0.859611 -0.900393 -0.790570 -1.003366 -0.906461 -0.792096 -0.801310 -0.930318 -0.894174 -0.830223 -0.960559 -0.974464 -0.800407 -0.811889 -0.891530 -0.800857 -0.885357 -0.749841 -0.899736 -0.911673 -0.911063 -0.802540 -0.662237 -0.688122 -0.673415 -0.720079 -0.734413 -0.671180 -0.696180 -0.702276 -0.770516 -0.667257 -0.716730 0.374033 0.452194 2.00895250 -3.33570195 -0.49073177 3.92474398 -13.62791491 4.01327375 -1.17567679 10.14580394 15.23068912 3.48211097 -359.2911 409.1500 -97.2283 -370.1722 -29.4374 -446.9789 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:11 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:26 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.84704356 -16.25403823 -16.03576017 -16.18237467 -16.33407893 -16.36432357 -16.40279858 -16.40625173 -16.40682938 -16.40863515 -16.41215061 -16.41446446 -16.41823906 -16.42044663 -16.42209482 -16.42260580 -16.42487254 -16.42562333 -16.42583057 -16.42599869 -16.42603408 -16.42608212 -16.42611382 -16.42613022 -16.42615264 -16.42616454 -16.42617342 GEOMETRY CONVERGED