ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:49:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.56 0.03 2.17 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 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:49:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.55 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 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 Jun20-2024 10:49:48 Nodes: 1 Procs: 1 Jun20-2024 10:49:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:49:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.06 2.53 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 Jun20-2024 10:49:48 Nodes: 1 Procs: 1 Jun20-2024 10:49:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:49:52 Nodes: 1 Procs: 1 Jun20-2024 10:49:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:49:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 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 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 Jun20-2024 10:49:48 Nodes: 1 Procs: 1 Jun20-2024 10:49:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:49:52 Nodes: 1 Procs: 1 Jun20-2024 10:49:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:49:57 Nodes: 1 Procs: 1 Jun20-2024 10:49:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:50:01 Hydrogen (TZP) c10-37 c10-37 c10-37 c10-37 c10-37 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.06 2.33 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 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 Jun20-2024 10:49:48 Nodes: 1 Procs: 1 Jun20-2024 10:49:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:49:52 Nodes: 1 Procs: 1 Jun20-2024 10:49:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:49:57 Nodes: 1 Procs: 1 Jun20-2024 10:49:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 10:50:01 Nodes: 1 Procs: 1 Jun20-2024 10:50:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:50:08 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2703.785600000006 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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.Ta ADF 2019.304 Jun20-2024 10:49:54 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun20-2024 10:49:50 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun20-2024 10:50:03 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 10:49:59 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 10:49:45 1 1 Hydrogen TZP 1 1 -17.07054570 0.26773793 0.00100000 F 0.08722734 0.00066667 F 0.26773793 0.08722734 0.28193776 0.01000000 F 0.07350974 0.00666667 F Cartesian 2703.785600000006 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0.3746158E-13 GRAD(Rho)y 0.1245001E-13 GRAD(Rho)z 0.3266881E-15 Laplacian 0.3482480E-01 (-1/4)Del**2(Rho)) -0.8706199E-02 Diamond 0.1017323E-02 Metallicity 0.7735608E+00 Ellipticity -0.1506667E+01 Gb(Abramov) 0.6926595E-02 Vb(Abramov) -0.5146991E-02 Hb(Abramov) 0.1779604E-02 Ex_ueg -0.1386972E-02 Ec_ueg -0.3238627E-03 Delta_ex -0.1619900E-02 Delta_ec 0.5070978E-03 Delta_et -0.3495147E-02 Pxc 0.4282592E+01 Qxc -0.3194452E+01 3,+1 56 3 +3 0.989841 -1.136106 -1.274086 Rho 0.4150340E-02 |GRAD(Rho)| 0.6334342E-12 GRAD(Rho)x 0.4544289E-12 GRAD(Rho)y 0.4371439E-12 GRAD(Rho)z -0.6031983E-13 Laplacian 0.1530793E-01 (-1/4)Del**2(Rho)) -0.3826983E-02 Diamond 0.1139685E-03 Metallicity 0.4825060E+00 Ellipticity -0.6564777E+00 Gb(Abramov) 0.2859079E-02 Vb(Abramov) -0.1891175E-02 Hb(Abramov) 0.9679040E-03 Ex_ueg -0.4926025E-03 Ec_ueg -0.1105337E-03 Delta_ex -0.5394119E-03 Delta_ec 0.1335300E-03 Delta_et -0.8288580E-03 Pxc 0.4456581E+01 Qxc -0.4039631E+01 3,+3 57 3 +1 -2.975524 -0.283637 -0.314099 Rho 0.5267259E-02 |GRAD(Rho)| 0.1055365E-16 GRAD(Rho)x 0.3945784E-17 GRAD(Rho)y 0.1159373E-17 GRAD(Rho)z -0.9719370E-17 Laplacian 0.2120206E-01 (-1/4)Del**2(Rho)) -0.5300516E-02 Diamond 0.3637293E-03 Metallicity 0.5182542E+00 Ellipticity -0.1334906E+01 Gb(Abramov) 0.3991513E-02 Vb(Abramov) -0.2682510E-02 Hb(Abramov) 0.1309003E-02 Ex_ueg -0.6768586E-03 Ec_ueg -0.1584321E-03 Delta_ex -0.9205425E-03 Delta_ec 0.4100226E-03 Delta_et -0.2365363E-02 Pxc 0.4272231E+01 Qxc -0.2245102E+01 3,+1 58 3 +1 -0.581846 -0.579881 1.722531 Rho 0.7712443E-02 |GRAD(Rho)| 0.5962764E-17 GRAD(Rho)x 0.5068141E-17 GRAD(Rho)y -0.2587930E-17 GRAD(Rho)z 0.1780761E-17 Laplacian 0.2862669E-01 (-1/4)Del**2(Rho)) -0.7156673E-02 Diamond 0.6462323E-03 Metallicity 0.7247062E+00 Ellipticity -0.1431260E+01 Gb(Abramov) 0.5635529E-02 Vb(Abramov) -0.4114386E-02 Hb(Abramov) 0.1521143E-02 Ex_ueg -0.1125402E-02 Ec_ueg -0.2654451E-03 Delta_ex -0.1264966E-02 Delta_ec 0.3895771E-03 Delta_et -0.2600038E-02 Pxc 0.4239680E+01 Qxc -0.3247023E+01 3,+1 59 3 +3 -2.389212 0.023360 0.051212 Rho 0.4785205E-02 |GRAD(Rho)| 0.8284702E-16 GRAD(Rho)x 0.6128360E-16 GRAD(Rho)y -0.4122676E-16 GRAD(Rho)z -0.3752736E-16 Laplacian 0.1946425E-01 (-1/4)Del**2(Rho)) -0.4866063E-02 Diamond 0.1739735E-03 Metallicity 0.4810716E+00 Ellipticity -0.3880415E+00 Gb(Abramov) 0.3634196E-02 Vb(Abramov) -0.2402329E-02 Hb(Abramov) 0.1231867E-02 Ex_ueg -0.5955513E-03 Ec_ueg -0.1376810E-03 Delta_ex -0.7096095E-03 Delta_ec 0.1665657E-03 Delta_et -0.1074026E-02 Pxc 0.4325586E+01 Qxc -0.4260237E+01 3,+3 60 3 -1 -2.825818 0.495853 -1.852400 Rho 0.5978568E-01 |GRAD(Rho)| 0.5184427E-13 GRAD(Rho)x 0.2430366E-15 GRAD(Rho)y -0.3548589E-13 GRAD(Rho)z -0.3779578E-13 Laplacian 0.2611202E+00 (-1/4)Del**2(Rho)) -0.6528006E-01 Diamond 0.1814846E+00 Metallicity 0.2412318E+01 Ellipticity 0.5800021E-02 Gb(Abramov) 0.6976608E-01 Vb(Abramov) -0.7425211E-01 Hb(Abramov) -0.4486025E-02 Ex_ueg -0.1726558E-01 Ec_ueg -0.2962531E-02 Delta_ex -0.2292094E-01 Delta_ec 0.8540115E-02 Delta_et -0.9464043E-01 Pxc 0.5827985E+01 Qxc -0.2683914E+01 3,-1 61 3 -1 -3.378112 0.072994 -3.181555 Rho 0.1921675E+00 |GRAD(Rho)| 0.1162005E-13 GRAD(Rho)x -0.9101986E-14 GRAD(Rho)y 0.4677736E-14 GRAD(Rho)z -0.5504386E-14 Laplacian 0.7260988E+00 (-1/4)Del**2(Rho)) -0.1815247E+00 Diamond 0.1984605E+01 Metallicity 0.6073196E+01 Ellipticity 0.2487797E-01 Gb(Abramov) 0.3047556E+00 Vb(Abramov) -0.4279866E+00 Hb(Abramov) -0.1232309E+00 Ex_ueg -0.8190145E-01 Ec_ueg -0.1119558E-01 Delta_ex -0.8297754E-01 Delta_ec 0.1732222E-01 Delta_et -0.2374635E+00 Pxc 0.7315516E+01 Qxc -0.4790237E+01 3,-1 62 3 -1 -3.278539 -0.031458 3.272135 Rho 0.2013674E+00 |GRAD(Rho)| 0.4099613E-14 GRAD(Rho)x -0.2725576E-14 GRAD(Rho)y 0.3303293E-15 GRAD(Rho)z -0.3044494E-14 Laplacian 0.7648437E+00 (-1/4)Del**2(Rho)) -0.1912109E+00 Diamond 0.2194618E+01 Metallicity 0.6232885E+01 Ellipticity 0.4973345E-02 Gb(Abramov) 0.3261065E+00 Vb(Abramov) -0.4610022E+00 Hb(Abramov) -0.1348956E+00 Ex_ueg -0.8717072E-01 Ec_ueg -0.1180957E-01 Delta_ex -0.8833891E-01 Delta_ec 0.1781589E-01 Delta_et -0.2445361E+00 Pxc 0.7381359E+01 Qxc -0.4958434E+01 3,-1 63 3 +1 -0.631640 -1.667286 0.585681 Rho 0.8604345E-02 |GRAD(Rho)| 0.1180851E-13 GRAD(Rho)x -0.3509189E-14 GRAD(Rho)y 0.7175451E-14 GRAD(Rho)z -0.8697095E-14 Laplacian 0.3204822E-01 (-1/4)Del**2(Rho)) -0.8012054E-02 Diamond 0.8802813E-03 Metallicity 0.7768533E+00 Ellipticity -0.1535638E+01 Gb(Abramov) 0.6378734E-02 Vb(Abramov) -0.4745415E-02 Hb(Abramov) 0.1633320E-02 Ex_ueg -0.1302193E-02 Ec_ueg -0.3051745E-03 Delta_ex -0.1474198E-02 Delta_ec 0.4686886E-03 Delta_et -0.3189490E-02 Pxc 0.4267045E+01 Qxc -0.3145368E+01 3,+1 64 3 -1 -3.276643 -3.218441 0.112885 Rho 0.2242790E+00 |GRAD(Rho)| 0.3540602E-15 GRAD(Rho)x -0.3133886E-15 GRAD(Rho)y 0.1549867E-15 GRAD(Rho)z -0.5590417E-16 Laplacian 0.8376223E+00 (-1/4)Del**2(Rho)) -0.2094056E+00 Diamond 0.2728298E+01 Metallicity 0.6811027E+01 Ellipticity 0.4980365E-02 Gb(Abramov) 0.3773149E+00 Vb(Abramov) -0.5452242E+00 Hb(Abramov) -0.1679093E+00 Ex_ueg -0.1006398E+00 Ec_ueg -0.1335914E-01 Delta_ex -0.9942075E-01 Delta_ec 0.1885027E-01 Delta_et -0.2602568E+00 Pxc 0.7533406E+01 Qxc -0.5274236E+01 3,-1 65 3 +1 -1.418400 1.097764 2.231738 Rho 0.2537134E-01 |GRAD(Rho)| 0.3300682E-14 GRAD(Rho)x 0.1872839E-14 GRAD(Rho)y -0.2488191E-14 GRAD(Rho)z 0.1093565E-14 Laplacian 0.9556230E-01 (-1/4)Del**2(Rho)) -0.2389058E-01 Diamond 0.1161082E-01 Metallicity 0.1579667E+01 Ellipticity -0.2811561E+01 Gb(Abramov) 0.2221691E-01 Vb(Abramov) -0.2054324E-01 Hb(Abramov) 0.1673667E-02 Ex_ueg -0.5506084E-02 Ec_ueg -0.1107429E-02 Delta_ex -0.5845099E-02 Delta_ec 0.1404117E-02 Delta_et -0.1248729E-01 Pxc 0.4971954E+01 Qxc -0.4162828E+01 3,+1 66 3 +1 -0.400624 -1.069494 -2.764747 Rho 0.2911369E-02 |GRAD(Rho)| 0.2819820E-17 GRAD(Rho)x 0.4195933E-18 GRAD(Rho)y 0.4132632E-18 GRAD(Rho)z 0.2757633E-17 Laplacian 0.1046828E-01 (-1/4)Del**2(Rho)) -0.2617070E-02 Diamond 0.7773055E-04 Metallicity 0.3907508E+00 Ellipticity -0.1278385E+01 Gb(Abramov) 0.1915150E-02 Vb(Abramov) -0.1213231E-02 Hb(Abramov) 0.7019197E-03 Ex_ueg -0.3070304E-03 Ec_ueg -0.5816841E-04 Delta_ex -0.3937734E-03 Delta_ec 0.1918815E-03 Delta_et -0.9422256E-03 Pxc 0.5278301E+01 Qxc -0.2052169E+01 3,+1 67 3 +1 -0.290695 -0.514515 -3.193946 Rho 0.2918995E-02 |GRAD(Rho)| 0.5225535E-17 GRAD(Rho)x -0.1952364E-17 GRAD(Rho)y 0.4827203E-17 GRAD(Rho)z 0.4388609E-18 Laplacian 0.1013591E-01 (-1/4)Del**2(Rho)) -0.2533976E-02 Diamond 0.9015629E-04 Metallicity 0.4053276E+00 Ellipticity -0.1537698E+01 Gb(Abramov) 0.1860499E-02 Vb(Abramov) -0.1187022E-02 Hb(Abramov) 0.6734770E-03 Ex_ueg -0.3081032E-03 Ec_ueg -0.5848819E-04 Delta_ex -0.4093217E-03 Delta_ec 0.2354946E-03 Delta_et -0.1121805E-02 Pxc 0.5267785E+01 Qxc -0.1738137E+01 3,+1 68 3 +1 -3.016669 0.206917 0.230590 Rho 0.5756017E-02 |GRAD(Rho)| 0.1381790E-16 GRAD(Rho)x -0.7257196E-18 GRAD(Rho)y -0.9723568E-17 GRAD(Rho)z 0.9790809E-17 Laplacian 0.2302376E-01 (-1/4)Del**2(Rho)) -0.5755939E-02 Diamond 0.6166739E-03 Metallicity 0.5533166E+00 Ellipticity -0.3341874E+01 Gb(Abramov) 0.4368102E-02 Vb(Abramov) -0.2980265E-02 Hb(Abramov) 0.1387837E-02 Ex_ueg -0.7618704E-03 Ec_ueg -0.1795910E-03 Delta_ex -0.1151813E-02 Delta_ec 0.6807767E-03 Delta_et -0.3874200E-02 Pxc 0.4242253E+01 Qxc -0.1691910E+01 3,+1 69 3 -1 -3.026549 0.101212 0.113765 Rho 0.5771960E-02 |GRAD(Rho)| 0.5181496E-16 GRAD(Rho)x 0.5799583E-17 GRAD(Rho)y 0.3191838E-16 GRAD(Rho)z 0.4040262E-16 Laplacian 0.2252193E-01 (-1/4)Del**2(Rho)) -0.5630482E-02 Diamond 0.7167068E-03 Metallicity 0.5682591E+00 Ellipticity 0.2289956E+01 Gb(Abramov) 0.4286917E-02 Vb(Abramov) -0.2943352E-02 Hb(Abramov) 0.1343565E-02 Ex_ueg -0.7646854E-03 Ec_ueg -0.1802832E-03 Delta_ex -0.1212620E-02 Delta_ec 0.8182065E-03 Delta_et -0.4595778E-02 Pxc 0.4241580E+01 Qxc -0.1482046E+01 3,-1 70 3 +1 0.396124 -1.756940 -0.695655 Rho 0.6931630E-02 |GRAD(Rho)| 0.1003268E-14 GRAD(Rho)x -0.8353132E-15 GRAD(Rho)y 0.5157204E-16 GRAD(Rho)z -0.5532990E-15 Laplacian 0.2510509E-01 (-1/4)Del**2(Rho)) -0.6276273E-02 Diamond 0.6190376E-03 Metallicity 0.6916880E+00 Ellipticity -0.1796825E+01 Gb(Abramov) 0.4907719E-02 Vb(Abramov) -0.3539165E-02 Hb(Abramov) 0.1368554E-02 Ex_ueg -0.9761102E-03 Ec_ueg -0.2309629E-03 Delta_ex -0.1157476E-02 Delta_ec 0.4798979E-03 Delta_et -0.2993170E-02 Pxc 0.4226264E+01 Qxc -0.2411922E+01 3,+1 71 3 -1 -3.041477 0.916146 2.044904 Rho 0.1034293E+00 |GRAD(Rho)| 0.4494286E-15 GRAD(Rho)x -0.1651037E-15 GRAD(Rho)y 0.3576241E-15 GRAD(Rho)z -0.2164068E-15 Laplacian 0.4307054E+00 (-1/4)Del**2(Rho)) -0.1076764E+00 Diamond 0.5723235E+00 Metallicity 0.3646183E+01 Ellipticity 0.1885401E-01 Gb(Abramov) 0.1372189E+00 Vb(Abramov) -0.1667614E+00 Hb(Abramov) -0.2954251E-01 Ex_ueg -0.3585719E-01 Ec_ueg -0.5533249E-02 Delta_ex -0.4254069E-01 Delta_ec 0.1234159E-01 Delta_et -0.1548709E+00 Pxc 0.6480315E+01 Qxc -0.3446937E+01 3,-1 72 3 -1 -3.053298 -1.021479 -2.089910 Rho 0.1111587E+00 |GRAD(Rho)| 0.5957376E-12 GRAD(Rho)x 0.2560442E-12 GRAD(Rho)y 0.4066030E-12 GRAD(Rho)z -0.3521627E-12 Laplacian 0.4488496E+00 (-1/4)Del**2(Rho)) -0.1122124E+00 Diamond 0.6593920E+00 Metallicity 0.3945343E+01 Ellipticity 0.2509364E-01 Gb(Abramov) 0.1485943E+00 Vb(Abramov) -0.1849763E+00 Hb(Abramov) -0.3638193E-01 Ex_ueg -0.3947387E-01 Ec_ueg -0.6005827E-02 Delta_ex -0.4521518E-01 Delta_ec 0.1289214E-01 Delta_et -0.1644045E+00 Pxc 0.6572594E+01 Qxc -0.3507189E+01 3,-1 73 3 +1 -2.039256 2.054590 2.060380 Rho 0.1199575E-01 |GRAD(Rho)| 0.3327083E-16 GRAD(Rho)x -0.3163153E-17 GRAD(Rho)y -0.1319375E-16 GRAD(Rho)z -0.3037873E-16 Laplacian 0.5408634E-01 (-1/4)Del**2(Rho)) -0.1352158E-01 Diamond 0.1613820E-02 Metallicity 0.8008873E+00 Ellipticity -0.1092812E+01 Gb(Abramov) 0.1081927E-01 Vb(Abramov) -0.8116950E-02 Hb(Abramov) 0.2702317E-02 Ex_ueg -0.2028095E-02 Ec_ueg -0.4593729E-03 Delta_ex -0.2498634E-02 Delta_ec 0.4169110E-03 Delta_et -0.3345022E-02 Pxc 0.4414921E+01 Qxc -0.5993208E+01 3,+1 74 3 -1 -2.859920 -0.563550 1.832962 Rho 0.1168356E+00 |GRAD(Rho)| 0.8039520E-14 GRAD(Rho)x -0.4303571E-14 GRAD(Rho)y 0.8666977E-15 GRAD(Rho)z 0.6735132E-14 Laplacian 0.4971839E+00 (-1/4)Del**2(Rho)) -0.1242960E+00 Diamond 0.7685661E+00 Metallicity 0.3870093E+01 Ellipticity 0.1248900E-01 Gb(Abramov) 0.1630368E+00 Vb(Abramov) -0.2017777E+00 Hb(Abramov) -0.3874084E-01 Ex_ueg -0.4218441E-01 Ec_ueg -0.6355724E-02 Delta_ex -0.5057441E-01 Delta_ec 0.1394900E-01 Delta_et -0.1793219E+00 Pxc 0.6637231E+01 Qxc -0.3625666E+01 3,-1 75 3 +3 -0.074657 -2.398375 -0.050306 Rho 0.3876769E-02 |GRAD(Rho)| 0.7810031E-16 GRAD(Rho)x -0.6013406E-16 GRAD(Rho)y -0.3001044E-16 GRAD(Rho)z 0.3978602E-16 Laplacian 0.1523662E-01 (-1/4)Del**2(Rho)) -0.3809156E-02 Diamond 0.1014426E-03 Metallicity 0.4326875E+00 Ellipticity -0.2972179E+00 Gb(Abramov) 0.2814133E-02 Vb(Abramov) -0.1819110E-02 Hb(Abramov) 0.9950229E-03 Ex_ueg -0.4497919E-03 Ec_ueg -0.9890053E-04 Delta_ex -0.5250827E-03 Delta_ec 0.1283017E-03 Delta_et -0.7903881E-03 Pxc 0.4547922E+01 Qxc -0.4092562E+01 3,+3 76 3 +1 -0.544938 1.627593 -0.517621 Rho 0.8917602E-02 |GRAD(Rho)| 0.5817105E-15 GRAD(Rho)x 0.4716705E-15 GRAD(Rho)y -0.2642370E-15 GRAD(Rho)z -0.2146925E-15 Laplacian 0.3483870E-01 (-1/4)Del**2(Rho)) -0.8709675E-02 Diamond 0.9666495E-03 Metallicity 0.7585160E+00 Ellipticity -0.1442612E+01 Gb(Abramov) 0.6907521E-02 Vb(Abramov) -0.5105367E-02 Hb(Abramov) 0.1802154E-02 Ex_ueg -0.1365786E-02 Ec_ueg -0.3192128E-03 Delta_ex -0.1600720E-02 Delta_ec 0.4803271E-03 Delta_et -0.3321693E-02 Pxc 0.4278605E+01 Qxc -0.3332562E+01 3,+1 77 3 +1 1.991759 -2.054306 2.040360 Rho 0.1113580E-01 |GRAD(Rho)| 0.2244133E-16 GRAD(Rho)x -0.2006990E-16 GRAD(Rho)y 0.9290774E-17 GRAD(Rho)z -0.3807071E-17 Laplacian 0.4350862E-01 (-1/4)Del**2(Rho)) -0.1087715E-01 Diamond 0.1035569E-02 Metallicity 0.8795085E+00 Ellipticity -0.1076899E+01 Gb(Abramov) 0.8845862E-02 Vb(Abramov) -0.6814568E-02 Hb(Abramov) 0.2031293E-02 Ex_ueg -0.1836595E-02 Ec_ueg -0.4198228E-03 Delta_ex -0.1925226E-02 Delta_ec 0.2580345E-03 Delta_et -0.2144337E-02 Pxc 0.4374692E+01 Qxc -0.7461120E+01 3,+1 78 3 +1 -1.305038 2.191691 1.176207 Rho 0.2775287E-01 |GRAD(Rho)| 0.2896739E-14 GRAD(Rho)x -0.1938986E-14 GRAD(Rho)y 0.2019299E-14 GRAD(Rho)z -0.7442204E-15 Laplacian 0.1114284E+00 (-1/4)Del**2(Rho)) -0.2785709E-01 Diamond 0.1764426E-01 Metallicity 0.1573248E+01 Ellipticity -0.5523322E+01 Gb(Abramov) 0.2587575E-01 Vb(Abramov) -0.2389440E-01 Hb(Abramov) 0.1981346E-02 Ex_ueg -0.6205768E-02 Ec_ueg -0.1228291E-02 Delta_ex -0.7204065E-02 Delta_ec 0.2028455E-02 Delta_et -0.1834372E-01 Pxc 0.5052359E+01 Qxc -0.3551504E+01 3,+1 79 3 +1 -1.788130 1.730130 -1.753189 Rho 0.1117973E-01 |GRAD(Rho)| 0.3585189E-16 GRAD(Rho)x -0.2897374E-16 GRAD(Rho)y -0.5310088E-17 GRAD(Rho)z 0.2043730E-16 Laplacian 0.5393644E-01 (-1/4)Del**2(Rho)) -0.1348411E-01 Diamond 0.1995066E-02 Metallicity 0.7141390E+00 Ellipticity -0.1293662E+01 Gb(Abramov) 0.1059433E-01 Vb(Abramov) -0.7704547E-02 Hb(Abramov) 0.2889782E-02 Ex_ueg -0.1846262E-02 Ec_ueg -0.4218359E-03 Delta_ex -0.2613000E-02 Delta_ec 0.7192112E-03 Delta_et -0.5284767E-02 Pxc 0.4376729E+01 Qxc -0.3633147E+01 3,+1 80 3 -1 -3.045920 2.045369 0.875122 Rho 0.1533153E+00 |GRAD(Rho)| 0.2009875E-15 GRAD(Rho)x -0.4118613E-16 GRAD(Rho)y -0.1697183E-15 GRAD(Rho)z 0.9947555E-16 Laplacian 0.5875507E+00 (-1/4)Del**2(Rho)) -0.1468877E+00 Diamond 0.1225466E+01 Metallicity 0.5150828E+01 Ellipticity 0.2604976E-01 Gb(Abramov) 0.2240240E+00 Vb(Abramov) -0.3011603E+00 Hb(Abramov) -0.7713630E-01 Ex_ueg -0.6060370E-01 Ec_ueg -0.8656079E-02 Delta_ex -0.6346804E-01 Delta_ec 0.1488036E-01 Delta_et -0.1988102E+00 Pxc 0.7001288E+01 Qxc -0.4265223E+01 3,-1 81 3 -1 -2.827026 1.810890 -0.531081 Rho 0.1962717E+00 |GRAD(Rho)| 0.6771595E-15 GRAD(Rho)x -0.2068251E-15 GRAD(Rho)y 0.4250073E-15 GRAD(Rho)z 0.4849094E-15 Laplacian 0.7877068E+00 (-1/4)Del**2(Rho)) -0.1969267E+00 Diamond 0.2171833E+01 Metallicity 0.5798887E+01 Ellipticity 0.1567051E-01 Gb(Abramov) 0.3216104E+00 Vb(Abramov) -0.4462941E+00 Hb(Abramov) -0.1246837E+00 Ex_ueg -0.8424199E-01 Ec_ueg -0.1146890E-01 Delta_ex -0.9024827E-01 Delta_ec 0.1823117E-01 Delta_et -0.2488810E+00 Pxc 0.7345251E+01 Qxc -0.4950217E+01 3,-1 82 3 +1 -2.222320 1.088718 1.447523 Rho 0.2566233E-01 |GRAD(Rho)| 0.5761970E-16 GRAD(Rho)x -0.2140612E-16 GRAD(Rho)y -0.4582296E-16 GRAD(Rho)z 0.2760552E-16 Laplacian 0.9600006E-01 (-1/4)Del**2(Rho)) -0.2400001E-01 Diamond 0.1152956E-01 Metallicity 0.1602637E+01 Ellipticity -0.2653801E+01 Gb(Abramov) 0.2241056E-01 Vb(Abramov) -0.2082111E-01 Hb(Abramov) 0.1589453E-02 Ex_ueg -0.5590447E-02 Ec_ueg -0.1122119E-02 Delta_ex -0.5856662E-02 Delta_ec 0.1350698E-02 Delta_et -0.1205854E-01 Pxc 0.4982044E+01 Qxc -0.4336028E+01 3,+1 83 3 +1 -0.233068 2.998669 0.244622 Rho 0.6315706E-02 |GRAD(Rho)| 0.1502361E-15 GRAD(Rho)x -0.1015764E-15 GRAD(Rho)y 0.2219734E-16 GRAD(Rho)z 0.1084453E-15 Laplacian 0.2648926E-01 (-1/4)Del**2(Rho)) -0.6622314E-02 Diamond 0.7001295E-03 Metallicity 0.5613665E+00 Ellipticity -0.1868982E+01 Gb(Abramov) 0.5034467E-02 Vb(Abramov) -0.3446620E-02 Hb(Abramov) 0.1587847E-02 Ex_ueg -0.8622123E-03 Ec_ueg -0.2039651E-03 Delta_ex -0.1279743E-02 Delta_ec 0.6572124E-03 Delta_et -0.3897115E-02 Pxc 0.4227254E+01 Qxc -0.1947228E+01 3,+1 84 3 +1 -1.760080 -0.504696 0.594057 Rho 0.8646205E-02 |GRAD(Rho)| 0.1827132E-16 GRAD(Rho)x 0.1384506E-16 GRAD(Rho)y 0.1176888E-16 GRAD(Rho)z -0.1910162E-17 Laplacian 0.3277089E-01 (-1/4)Del**2(Rho)) -0.8192722E-02 Diamond 0.8660744E-03 Metallicity 0.7658920E+00 Ellipticity -0.1457762E+01 Gb(Abramov) 0.6507605E-02 Vb(Abramov) -0.4822487E-02 Hb(Abramov) 0.1685117E-02 Ex_ueg -0.1310647E-02 Ec_ueg -0.3070479E-03 Delta_ex -0.1491375E-02 Delta_ec 0.4472856E-03 Delta_et -0.3072629E-02 Pxc 0.4268542E+01 Qxc -0.3334279E+01 3,+1 85 3 +1 0.503155 1.673322 0.504902 Rho 0.7786031E-02 |GRAD(Rho)| 0.2472000E-15 GRAD(Rho)x -0.1185416E-15 GRAD(Rho)y -0.1768070E-15 GRAD(Rho)z -0.1256781E-15 Laplacian 0.3065805E-01 (-1/4)Del**2(Rho)) -0.7664513E-02 Diamond 0.7211784E-03 Metallicity 0.6874832E+00 Ellipticity -0.1403492E+01 Gb(Abramov) 0.5987879E-02 Vb(Abramov) -0.4311246E-02 Hb(Abramov) 0.1676634E-02 Ex_ueg -0.1139742E-02 Ec_ueg -0.2687094E-03 Delta_ex -0.1368308E-02 Delta_ec 0.4356684E-03 Delta_et -0.2898808E-02 Pxc 0.4241542E+01 Qxc -0.3140710E+01 3,+1 86 3 +3 -1.967720 1.971512 1.986538 Rho 0.1196849E-01 |GRAD(Rho)| 0.1766219E-16 GRAD(Rho)x 0.5928329E-17 GRAD(Rho)y -0.7821107E-17 GRAD(Rho)z 0.1468462E-16 Laplacian 0.5351054E-01 (-1/4)Del**2(Rho)) -0.1337763E-01 Diamond 0.1303424E-02 Metallicity 0.8064411E+00 Ellipticity -0.8723764E+00 Gb(Abramov) 0.1071647E-01 Vb(Abramov) -0.8055302E-02 Hb(Abramov) 0.2661166E-02 Ex_ueg -0.2021952E-02 Ec_ueg -0.4581145E-03 Delta_ex -0.2386882E-02 Delta_ec 0.2632590E-03 Delta_et -0.2304646E-02 Pxc 0.4413638E+01 Qxc -0.9066669E+01 3,+3 87 3 -1 -1.801803 2.757640 -0.546559 Rho 0.1317380E+00 |GRAD(Rho)| 0.2714210E-15 GRAD(Rho)x 0.2258935E-15 GRAD(Rho)y 0.8308038E-16 GRAD(Rho)z -0.1254557E-15 Laplacian 0.5430596E+00 (-1/4)Del**2(Rho)) -0.1357649E+00 Diamond 0.9422485E+00 Metallicity 0.4327968E+01 Ellipticity 0.1244196E-01 Gb(Abramov) 0.1884410E+00 Vb(Abramov) -0.2411170E+00 Hb(Abramov) -0.5267606E-01 Ex_ueg -0.4950698E-01 Ec_ueg -0.7284943E-02 Delta_ex -0.5651115E-01 Delta_ec 0.1423574E-01 Delta_et -0.1858801E+00 Pxc 0.6795795E+01 Qxc -0.3969666E+01 3,-1 88 3 +1 -2.276174 -1.101407 -1.487094 Rho 0.2784940E-01 |GRAD(Rho)| 0.8973487E-16 GRAD(Rho)x -0.8900220E-16 GRAD(Rho)y -0.9224831E-17 GRAD(Rho)z -0.6771856E-17 Laplacian 0.1113028E+00 (-1/4)Del**2(Rho)) -0.2782570E-01 Diamond 0.1503609E-01 Metallicity 0.1584164E+01 Ellipticity -0.2447370E+01 Gb(Abramov) 0.2589721E-01 Vb(Abramov) -0.2396872E-01 Hb(Abramov) 0.1928489E-02 Ex_ueg -0.6234564E-02 Ec_ueg -0.1233220E-02 Delta_ex -0.6951236E-02 Delta_ec 0.1577388E-02 Delta_et -0.1434003E-01 Pxc 0.5055518E+01 Qxc -0.4406800E+01 3,+1 89 3 +1 -1.861854 -1.730373 1.834186 Rho 0.1169798E-01 |GRAD(Rho)| 0.1416584E-16 GRAD(Rho)x -0.1054952E-16 GRAD(Rho)y 0.5900365E-17 GRAD(Rho)z -0.7386772E-17 Laplacian 0.5476607E-01 (-1/4)Del**2(Rho)) -0.1369152E-01 Diamond 0.2000771E-02 Metallicity 0.7584957E+00 Ellipticity -0.1255601E+01 Gb(Abramov) 0.1085850E-01 Vb(Abramov) -0.8025491E-02 Hb(Abramov) 0.2833013E-02 Ex_ueg -0.1961250E-02 Ec_ueg -0.4456448E-03 Delta_ex -0.2638592E-02 Delta_ec 0.6476952E-03 Delta_et -0.4875605E-02 Pxc 0.4400927E+01 Qxc -0.4073817E+01 3,+1 90 3 -1 -2.248381 -0.898392 -3.400139 Rho 0.1980191E+00 |GRAD(Rho)| 0.5168384E-15 GRAD(Rho)x -0.8974483E-16 GRAD(Rho)y -0.1957527E-15 GRAD(Rho)z 0.4698390E-15 Laplacian 0.7692833E+00 (-1/4)Del**2(Rho)) -0.1923208E+00 Diamond 0.2158019E+01 Metallicity 0.6026134E+01 Ellipticity 0.1186154E-01 Gb(Abramov) 0.3213724E+00 Vb(Abramov) -0.4504240E+00 Hb(Abramov) -0.1290516E+00 Ex_ueg -0.8524350E-01 Ec_ueg -0.1158557E-01 Delta_ex -0.8843552E-01 Delta_ec 0.1793672E-01 Delta_et -0.2456402E+00 Pxc 0.7357733E+01 Qxc -0.4930417E+01 3,-1 91 3 -1 -1.814174 -0.619425 -1.816684 Rho 0.4590231E-01 |GRAD(Rho)| 0.7969488E-16 GRAD(Rho)x -0.1760981E-16 GRAD(Rho)y -0.5528584E-17 GRAD(Rho)z 0.7752808E-16 Laplacian 0.1972853E+00 (-1/4)Del**2(Rho)) -0.4932133E-01 Diamond 0.9772557E-01 Metallicity 0.2055461E+01 Ellipticity 0.2329714E-01 Gb(Abramov) 0.4977723E-01 Vb(Abramov) -0.5023313E-01 Hb(Abramov) -0.4559003E-03 Ex_ueg -0.1213848E-01 Ec_ueg -0.2189653E-02 Delta_ex -0.1631407E-01 Delta_ec 0.6631621E-02 Delta_et -0.6853586E-01 Pxc 0.5543566E+01 Qxc -0.2460043E+01 3,-1 92 3 +3 -1.175378 -1.099194 1.203138 Rho 0.5012427E-02 |GRAD(Rho)| 0.5097245E-17 GRAD(Rho)x 0.2103007E-18 GRAD(Rho)y 0.4996972E-17 GRAD(Rho)z -0.9838420E-18 Laplacian 0.1860026E-01 (-1/4)Del**2(Rho)) -0.4650065E-02 Diamond 0.1267559E-03 Metallicity 0.5438857E+00 Ellipticity -0.1900462E+00 Gb(Abramov) 0.3521560E-02 Vb(Abramov) -0.2393056E-02 Hb(Abramov) 0.1128504E-02 Ex_ueg -0.6335523E-03 Ec_ueg -0.1474476E-03 Delta_ex -0.6397573E-03 Delta_ec 0.7602298E-04 Delta_et -0.6191863E-03 Pxc 0.4296796E+01 Qxc -0.8415314E+01 3,+3 93 3 -1 -2.008194 -3.116726 -0.717170 Rho 0.1369448E+00 |GRAD(Rho)| 0.5153708E-14 GRAD(Rho)x 0.1872688E-15 GRAD(Rho)y 0.5145380E-14 GRAD(Rho)z 0.2251752E-15 Laplacian 0.5043535E+00 (-1/4)Del**2(Rho)) -0.1260884E+00 Diamond 0.9349801E+00 Metallicity 0.4971115E+01 Ellipticity 0.9835608E-01 Gb(Abramov) 0.1885256E+00 Vb(Abramov) -0.2509627E+00 Hb(Abramov) -0.6243718E-01 Ex_ueg -0.5213295E-01 Ec_ueg -0.7613103E-02 Delta_ex -0.5318264E-01 Delta_ec 0.1346317E-01 Delta_et -0.1776038E+00 Pxc 0.6847792E+01 Qxc -0.3950230E+01 3,-1 94 3 -1 -1.860165 -0.570947 2.880047 Rho 0.1451707E+00 |GRAD(Rho)| 0.6768874E-16 GRAD(Rho)x 0.5328854E-16 GRAD(Rho)y 0.2059984E-17 GRAD(Rho)z 0.4168757E-16 Laplacian 0.6119120E+00 (-1/4)Del**2(Rho)) -0.1529780E+00 Diamond 0.1209030E+01 Metallicity 0.4515674E+01 Ellipticity 0.1122054E-01 Gb(Abramov) 0.2171185E+00 Vb(Abramov) -0.2812589E+00 Hb(Abramov) -0.6414047E-01 Ex_ueg -0.5634955E-01 Ec_ueg -0.8135091E-02 Delta_ex -0.6536290E-01 Delta_ec 0.1596360E-01 Delta_et -0.2122083E+00 Pxc 0.6926726E+01 Qxc -0.4094495E+01 3,-1 95 3 -1 -1.842991 0.482704 -2.877721 Rho 0.1012751E+00 |GRAD(Rho)| 0.1289761E-12 GRAD(Rho)x -0.9047118E-13 GRAD(Rho)y -0.9146595E-13 GRAD(Rho)z 0.9153594E-14 Laplacian 0.4420018E+00 (-1/4)Del**2(Rho)) -0.1105005E+00 Diamond 0.5846269E+00 Metallicity 0.3430522E+01 Ellipticity 0.8558851E-02 Gb(Abramov) 0.1368460E+00 Vb(Abramov) -0.1631916E+00 Hb(Abramov) -0.2634556E-01 Ex_ueg -0.3486492E-01 Ec_ueg -0.5402358E-02 Delta_ex -0.4364618E-01 Delta_ec 0.1308443E-01 Delta_et -0.1639341E+00 Pxc 0.6453648E+01 Qxc -0.3335734E+01 3,-1 96 3 +3 -1.177549 1.070516 -1.153372 Rho 0.5033683E-02 |GRAD(Rho)| 0.2559346E-16 GRAD(Rho)x 0.2426127E-16 GRAD(Rho)y 0.6295495E-17 GRAD(Rho)z 0.5175183E-17 Laplacian 0.1960907E-01 (-1/4)Del**2(Rho)) -0.4902268E-02 Diamond 0.1383016E-03 Metallicity 0.5195563E+00 Ellipticity -0.2053414E+00 Gb(Abramov) 0.3692679E-02 Vb(Abramov) -0.2483091E-02 Hb(Abramov) 0.1209589E-02 Ex_ueg -0.6371371E-03 Ec_ueg -0.1483626E-03 Delta_ex -0.6788357E-03 Delta_ec 0.8654334E-04 Delta_et -0.6854477E-03 Pxc 0.4294459E+01 Qxc -0.7843881E+01 3,+3 97 3 -1 -2.016478 0.905266 3.066714 Rho 0.1079052E+00 |GRAD(Rho)| 0.3004539E-15 GRAD(Rho)x 0.1387779E-15 GRAD(Rho)y 0.1849513E-15 GRAD(Rho)z 0.1918496E-15 Laplacian 0.4418857E+00 (-1/4)Del**2(Rho)) -0.1104714E+00 Diamond 0.6209170E+00 Metallicity 0.3813940E+01 Ellipticity 0.1613092E-01 Gb(Abramov) 0.1438695E+00 Vb(Abramov) -0.1772676E+00 Hb(Abramov) -0.3339809E-01 Ex_ueg -0.3794095E-01 Ec_ueg -0.5806360E-02 Delta_ex -0.4412317E-01 Delta_ec 0.1262617E-01 Delta_et -0.1598818E+00 Pxc 0.6534379E+01 Qxc -0.3494581E+01 3,-1 98 3 -1 -1.890420 -2.784058 0.621514 Rho 0.1537625E+00 |GRAD(Rho)| 0.2789507E-15 GRAD(Rho)x -0.2189817E-15 GRAD(Rho)y 0.1201499E-15 GRAD(Rho)z -0.1241954E-15 Laplacian 0.6382532E+00 (-1/4)Del**2(Rho)) -0.1595633E+00 Diamond 0.1324847E+01 Metallicity 0.4764721E+01 Ellipticity 0.1511654E-01 Gb(Abramov) 0.2330880E+00 Vb(Abramov) -0.3066126E+00 Hb(Abramov) -0.7352467E-01 Ex_ueg -0.6083949E-01 Ec_ueg -0.8684801E-02 Delta_ex -0.6888814E-01 Delta_ec 0.1596283E-01 Delta_et -0.2129048E+00 Pxc 0.7005284E+01 Qxc -0.4315535E+01 3,-1 99 3 +1 0.067868 -3.016385 0.137649 Rho 0.4475824E-02 |GRAD(Rho)| 0.1173979E-10 GRAD(Rho)x -0.7179346E-11 GRAD(Rho)y 0.6517796E-12 GRAD(Rho)z 0.9265790E-11 Laplacian 0.1707675E-01 (-1/4)Del**2(Rho)) -0.4269189E-02 Diamond 0.2817334E-03 Metallicity 0.4905270E+00 Ellipticity -0.1764197E+01 Gb(Abramov) 0.3195151E-02 Vb(Abramov) -0.2121114E-02 Hb(Abramov) 0.1074038E-02 Ex_ueg -0.5447732E-03 Ec_ueg -0.1244256E-03 Delta_ex -0.7651216E-03 Delta_ec 0.4196836E-03 Delta_et -0.2252831E-02 Pxc 0.4378305E+01 Qxc -0.1823092E+01 3,+1 100 3 -1 -1.827914 -1.736352 -0.508637 Rho 0.5174944E-01 |GRAD(Rho)| 0.1096756E-11 GRAD(Rho)x -0.7680224E-12 GRAD(Rho)y -0.7515482E-12 GRAD(Rho)z 0.2195239E-12 Laplacian 0.2044350E+00 (-1/4)Del**2(Rho)) -0.5110875E-01 Diamond 0.1082909E+00 Metallicity 0.2422334E+01 Ellipticity 0.2176269E-01 Gb(Abramov) 0.5470624E-01 Vb(Abramov) -0.5830374E-01 Hb(Abramov) -0.3597493E-02 Ex_ueg -0.1424271E-01 Ec_ueg -0.2511802E-02 Delta_ex -0.1696161E-01 Delta_ec 0.6067508E-02 Delta_et -0.6454917E-01 Pxc 0.5670314E+01 Qxc -0.2795482E+01 3,-1 101 3 -1 -1.761441 1.717387 0.541229 Rho 0.4743030E-01 |GRAD(Rho)| 0.2160908E-15 GRAD(Rho)x 0.9224697E-16 GRAD(Rho)y -0.1705827E-15 GRAD(Rho)z 0.9532721E-16 Laplacian 0.1879340E+00 (-1/4)Del**2(Rho)) -0.4698350E-01 Diamond 0.8775651E-01 Metallicity 0.2278772E+01 Ellipticity 0.1164070E-01 Gb(Abramov) 0.4916645E-01 Vb(Abramov) -0.5134940E-01 Hb(Abramov) -0.2182951E-02 Ex_ueg -0.1268020E-01 Ec_ueg -0.2273330E-02 Delta_ex -0.1522309E-01 Delta_ec 0.5526066E-02 Delta_et -0.5745249E-01 Pxc 0.5577809E+01 Qxc -0.2754779E+01 3,-1 102 3 -1 -1.996180 2.998494 0.849928 Rho 0.1150840E+00 |GRAD(Rho)| 0.1071949E-14 GRAD(Rho)x -0.5243879E-15 GRAD(Rho)y -0.5421214E-15 GRAD(Rho)z -0.7617062E-15 Laplacian 0.4545143E+00 (-1/4)Del**2(Rho)) -0.1136286E+00 Diamond 0.6658036E+00 Metallicity 0.4128167E+01 Ellipticity 0.2097474E-01 Gb(Abramov) 0.1539320E+00 Vb(Abramov) -0.1942354E+00 Hb(Abramov) -0.4030342E-01 Ex_ueg -0.4134329E-01 Ec_ueg -0.6247517E-02 Delta_ex -0.4572756E-01 Delta_ec 0.1218418E-01 Delta_et -0.1552894E+00 Pxc 0.6617555E+01 Qxc -0.3753028E+01 3,-1 103 3 -1 -0.283639 -1.310174 -3.557935 Rho 0.4081188E-02 |GRAD(Rho)| 0.2347516E-15 GRAD(Rho)x -0.2192710E-15 GRAD(Rho)y 0.7504936E-16 GRAD(Rho)z 0.3736526E-16 Laplacian 0.1358164E-01 (-1/4)Del**2(Rho)) -0.3395411E-02 Diamond 0.3370428E-03 Metallicity 0.5288167E+00 Ellipticity 0.1709515E+00 Gb(Abramov) 0.2562865E-02 Vb(Abramov) -0.1730320E-02 Hb(Abramov) 0.8325453E-03 Ex_ueg -0.4816895E-03 Ec_ueg -0.1075894E-03 Delta_ex -0.7664961E-03 Delta_ec 0.6361713E-03 Delta_et -0.3164384E-02 Pxc 0.4477109E+01 Qxc -0.1204858E+01 3,-1 104 3 +1 0.127860 -0.146651 3.020869 Rho 0.4948451E-02 |GRAD(Rho)| 0.5506910E-15 GRAD(Rho)x 0.3761757E-15 GRAD(Rho)y -0.3960394E-15 GRAD(Rho)z 0.7003743E-16 Laplacian 0.1901883E-01 (-1/4)Del**2(Rho)) -0.4754707E-02 Diamond 0.3945577E-03 Metallicity 0.5206488E+00 Ellipticity -0.2391594E+01 Gb(Abramov) 0.3582393E-02 Vb(Abramov) -0.2410080E-02 Hb(Abramov) 0.1172314E-02 Ex_ueg -0.6227935E-03 Ec_ueg -0.1446951E-03 Delta_ex -0.9033890E-03 Delta_ec 0.5268990E-03 Delta_et -0.2881749E-02 Pxc 0.4304178E+01 Qxc -0.1714539E+01 3,+1 105 3 +3 -0.002449 -0.047814 2.365865 Rho 0.4208676E-02 |GRAD(Rho)| 0.9138155E-16 GRAD(Rho)x 0.5366376E-16 GRAD(Rho)y -0.5330112E-16 GRAD(Rho)z 0.5128137E-16 Laplacian 0.1668644E-01 (-1/4)Del**2(Rho)) -0.4171610E-02 Diamond 0.1248943E-03 Metallicity 0.4530630E+00 Ellipticity -0.3260002E+00 Gb(Abramov) 0.3096074E-02 Vb(Abramov) -0.2020537E-02 Hb(Abramov) 0.1075536E-02 Ex_ueg -0.5018559E-03 Ec_ueg -0.1130195E-03 Delta_ex -0.5880872E-03 Delta_ec 0.1419840E-03 Delta_et -0.8895587E-03 Pxc 0.4440438E+01 Qxc -0.4141926E+01 3,+3 106 3 +1 0.450994 -0.846949 -1.791539 Rho 0.4945940E-02 |GRAD(Rho)| 0.7369810E-17 GRAD(Rho)x 0.5150667E-17 GRAD(Rho)y 0.2907666E-17 GRAD(Rho)z -0.4396613E-17 Laplacian 0.1903650E-01 (-1/4)Del**2(Rho)) -0.4759126E-02 Diamond 0.3491134E-03 Metallicity 0.5197256E+00 Ellipticity -0.1755014E+01 Gb(Abramov) 0.3584990E-02 Vb(Abramov) -0.2410855E-02 Hb(Abramov) 0.1174135E-02 Ex_ueg -0.6223722E-03 Ec_ueg -0.1445871E-03 Delta_ex -0.8612307E-03 Delta_ec 0.4507846E-03 Delta_et -0.2500333E-02 Pxc 0.4304479E+01 Qxc -0.1910515E+01 3,+1 107 3 -1 0.029743 -3.285772 -1.263410 Rho 0.4359491E-01 |GRAD(Rho)| 0.8479687E-17 GRAD(Rho)x 0.7671244E-17 GRAD(Rho)y 0.3342640E-17 GRAD(Rho)z 0.1372538E-17 Laplacian 0.1127839E+00 (-1/4)Del**2(Rho)) -0.2819598E-01 Diamond 0.7460843E-01 Metallicity 0.3299329E+01 Ellipticity 0.1980994E-02 Gb(Abramov) 0.3430196E-01 Vb(Abramov) -0.4040793E-01 Hb(Abramov) -0.6105975E-02 Ex_ueg -0.1133181E-01 Ec_ueg -0.2064009E-02 Delta_ex -0.1037527E-01 Delta_ec 0.5872650E-02 Delta_et -0.6016624E-01 Pxc 0.5490195E+01 Qxc -0.1766710E+01 3,-1 108 3 -1 -0.750805 -3.423023 -1.274710 Rho 0.2976091E+00 |GRAD(Rho)| 0.7615390E-14 GRAD(Rho)x 0.1266615E-15 GRAD(Rho)y -0.7330049E-14 GRAD(Rho)z -0.2061193E-14 Laplacian -0.1465168E+01 (-1/4)Del**2(Rho)) 0.3662921E+00 Diamond 0.4804994E+01 Metallicity -0.6239300E+01 Ellipticity 0.3644486E-02 Gb(Abramov) 0.1367063E+00 Vb(Abramov) -0.6397047E+00 Hb(Abramov) -0.5029984E+00 Ex_ueg -0.1467506E+00 Ec_ueg -0.1851240E-01 Delta_ex 0.1413508E+00 Delta_ec 0.5193039E-01 Delta_et -0.1193618E+01 Pxc 0.7927150E+01 Qxc 0.2721929E+01 3,-1 109 3 +1 -0.147148 -2.198915 -1.108680 Rho 0.7779384E-02 |GRAD(Rho)| 0.3117074E-14 GRAD(Rho)x -0.1127529E-14 GRAD(Rho)y -0.2890627E-14 GRAD(Rho)z -0.2985020E-15 Laplacian 0.3004456E-01 (-1/4)Del**2(Rho)) -0.7511141E-02 Diamond 0.1119911E-02 Metallicity 0.7005234E+00 Ellipticity -0.3249362E+01 Gb(Abramov) 0.5884382E-02 Vb(Abramov) -0.4257624E-02 Hb(Abramov) 0.1626759E-02 Ex_ueg -0.1138445E-02 Ec_ueg -0.2684144E-03 Delta_ex -0.1553861E-02 Delta_ec 0.8076365E-03 Delta_et -0.5057488E-02 Pxc 0.4241370E+01 Qxc -0.1923961E+01 3,+1 110 3 -1 -0.619157 -2.800770 1.889055 Rho 0.1119554E+00 |GRAD(Rho)| 0.1233747E-15 GRAD(Rho)x -0.8450001E-16 GRAD(Rho)y -0.8548257E-17 GRAD(Rho)z -0.8948734E-16 Laplacian 0.4843972E+00 (-1/4)Del**2(Rho)) -0.1210993E+00 Diamond 0.7167466E+00 Metallicity 0.3699588E+01 Ellipticity 0.7054773E-02 Gb(Abramov) 0.1554025E+00 Vb(Abramov) -0.1897056E+00 Hb(Abramov) -0.3430316E-01 Ex_ueg -0.3985155E-01 Ec_ueg -0.6054792E-02 Delta_ex -0.4886254E-01 Delta_ec 0.1386442E-01 Delta_et -0.1770105E+00 Pxc 0.6581819E+01 Qxc -0.3524313E+01 3,-1 111 3 +1 1.307077 2.142705 -1.124391 Rho 0.2658395E-01 |GRAD(Rho)| 0.1507600E-16 GRAD(Rho)x -0.1331992E-16 GRAD(Rho)y -0.5931320E-17 GRAD(Rho)z 0.3832096E-17 Laplacian 0.1046712E+00 (-1/4)Del**2(Rho)) -0.2616780E-01 Diamond 0.1532443E-01 Metallicity 0.1558901E+01 Ellipticity -0.4729748E+01 Gb(Abramov) 0.2424404E-01 Vb(Abramov) -0.2232027E-01 Hb(Abramov) 0.1923767E-02 Ex_ueg -0.5859732E-02 Ec_ueg -0.1168790E-02 Delta_ex -0.6660541E-02 Delta_ec 0.1852331E-02 Delta_et -0.1658292E-01 Pxc 0.5013504E+01 Qxc -0.3595761E+01 3,+1 112 3 +3 0.017889 2.229234 0.017274 Rho 0.4831718E-02 |GRAD(Rho)| 0.1866196E-16 GRAD(Rho)x -0.9195767E-18 GRAD(Rho)y -0.4546411E-18 GRAD(Rho)z -0.1863374E-16 Laplacian 0.2003463E-01 (-1/4)Del**2(Rho)) -0.5008657E-02 Diamond 0.1637835E-03 Metallicity 0.4749718E+00 Ellipticity -0.3236395E+00 Gb(Abramov) 0.3735600E-02 Vb(Abramov) -0.2462543E-02 Hb(Abramov) 0.1273057E-02 Ex_ueg -0.6032821E-03 Ec_ueg -0.1396781E-03 Delta_ex -0.7150750E-03 Delta_ec 0.1408042E-03 Delta_et -0.9557156E-03 Pxc 0.4319088E+01 Qxc -0.5078504E+01 3,+3 113 3 -1 -0.550837 1.734396 1.757125 Rho 0.4637707E-01 |GRAD(Rho)| 0.7531460E-16 GRAD(Rho)x -0.5763212E-16 GRAD(Rho)y -0.4846680E-16 GRAD(Rho)z -0.1340430E-17 Laplacian 0.1848180E+00 (-1/4)Del**2(Rho)) -0.4620451E-01 Diamond 0.8380873E-01 Metallicity 0.2232069E+01 Ellipticity 0.2113653E-01 Gb(Abramov) 0.4799162E-01 Vb(Abramov) -0.4977872E-01 Hb(Abramov) -0.1787106E-02 Ex_ueg -0.1230617E-01 Ec_ueg -0.2215612E-02 Delta_ex -0.1489133E-01 Delta_ec 0.5444075E-02 Delta_et -0.5626909E-01 Pxc 0.5554296E+01 Qxc -0.2735328E+01 3,-1 114 3 -1 -0.868238 2.048565 3.053964 Rho 0.1515314E+00 |GRAD(Rho)| 0.4134377E-15 GRAD(Rho)x 0.1559625E-15 GRAD(Rho)y 0.2709557E-15 GRAD(Rho)z -0.2705355E-15 Laplacian 0.5885651E+00 (-1/4)Del**2(Rho)) -0.1471413E+00 Diamond 0.1204147E+01 Metallicity 0.5042619E+01 Ellipticity 0.3632240E-01 Gb(Abramov) 0.2217571E+00 Vb(Abramov) -0.2963729E+00 Hb(Abramov) -0.7461582E-01 Ex_ueg -0.5966529E-01 Ec_ueg -0.8541615E-02 Delta_ex -0.6333282E-01 Delta_ec 0.1483907E-01 Delta_et -0.1976827E+00 Pxc 0.6985247E+01 Qxc -0.4267977E+01 3,-1 115 3 -1 -0.595975 -1.836583 2.895454 Rho 0.1111365E+00 |GRAD(Rho)| 0.2240711E-15 GRAD(Rho)x 0.1931100E-15 GRAD(Rho)y -0.1102498E-15 GRAD(Rho)z -0.2759295E-16 Laplacian 0.4716743E+00 (-1/4)Del**2(Rho)) -0.1179186E+00 Diamond 0.6872974E+00 Metallicity 0.3753174E+01 Ellipticity 0.2560142E-01 Gb(Abramov) 0.1523739E+00 Vb(Abramov) -0.1868291E+00 Hb(Abramov) -0.3445529E-01 Ex_ueg -0.3946334E-01 Ec_ueg -0.6004462E-02 Delta_ex -0.4743111E-01 Delta_ec 0.1340352E-01 Delta_et -0.1707191E+00 Pxc 0.6572336E+01 Qxc -0.3538706E+01 3,-1 116 3 -1 0.000269 -2.062639 -1.086798 Rho 0.7828084E-02 |GRAD(Rho)| 0.2928955E-14 GRAD(Rho)x -0.9511871E-15 GRAD(Rho)y -0.2770199E-14 GRAD(Rho)z 0.4714861E-17 Laplacian 0.2955165E-01 (-1/4)Del**2(Rho)) -0.7387912E-02 Diamond 0.1333782E-02 Metallicity 0.7196543E+00 Ellipticity 0.1930303E+01 Gb(Abramov) 0.5811398E-02 Vb(Abramov) -0.4234885E-02 Hb(Abramov) 0.1576513E-02 Ex_ueg -0.1147957E-02 Ec_ueg -0.2705759E-03 Delta_ex -0.1644293E-02 Delta_ec 0.9976773E-03 Delta_et -0.6170121E-02 Pxc 0.4242644E+01 Qxc -0.1648121E+01 3,-1 117 3 -1 0.246316 -1.245998 -1.898565 Rho 0.5224862E-02 |GRAD(Rho)| 0.1397443E-15 GRAD(Rho)x 0.7608410E-16 GRAD(Rho)y 0.1019136E-15 GRAD(Rho)z 0.5790768E-16 Laplacian 0.2051003E-01 (-1/4)Del**2(Rho)) -0.5127507E-02 Diamond 0.5721272E-03 Metallicity 0.5285729E+00 Ellipticity 0.1547228E+01 Gb(Abramov) 0.3870048E-02 Vb(Abramov) -0.2612590E-02 Hb(Abramov) 0.1257459E-02 Ex_ueg -0.6696041E-03 Ec_ueg -0.1566023E-03 Delta_ex -0.1085106E-02 Delta_ec 0.7469836E-03 Delta_et -0.4069990E-02 Pxc 0.4275825E+01 Qxc -0.1452650E+01 3,-1 118 3 -1 -0.583711 -0.506535 -0.486276 Rho 0.1872736E+00 |GRAD(Rho)| 0.3916174E-15 GRAD(Rho)x -0.2740863E-15 GRAD(Rho)y -0.1110223E-15 GRAD(Rho)z -0.2567391E-15 Laplacian 0.4970636E+00 (-1/4)Del**2(Rho)) -0.1242659E+00 Diamond 0.1323643E+01 Metallicity 0.8498237E+01 Ellipticity 0.2592266E-01 Gb(Abramov) 0.2588508E+00 Vb(Abramov) -0.3934356E+00 Hb(Abramov) -0.1345849E+00 Ex_ueg -0.7913230E-01 Ec_ueg -0.1087091E-01 Delta_ex -0.5648202E-01 Delta_ec 0.1202644E-01 Delta_et -0.1647320E+00 Pxc 0.7279272E+01 Qxc -0.4696487E+01 3,-1 119 3 +1 1.673933 0.507119 0.557471 Rho 0.7326120E-02 |GRAD(Rho)| 0.9487211E-17 GRAD(Rho)x -0.7222575E-17 GRAD(Rho)y -0.6151510E-17 GRAD(Rho)z -0.2244720E-19 Laplacian 0.2821086E-01 (-1/4)Del**2(Rho)) -0.7052714E-02 Diamond 0.6179892E-03 Metallicity 0.6750257E+00 Ellipticity -0.1415483E+01 Gb(Abramov) 0.5495270E-02 Vb(Abramov) -0.3937826E-02 Hb(Abramov) 0.1557444E-02 Ex_ueg -0.1050873E-02 Ec_ueg -0.2483489E-03 Delta_ex -0.1244065E-02 Delta_ec 0.4079863E-03 Delta_et -0.2666038E-02 Pxc 0.4231440E+01 Qxc -0.3049282E+01 3,+1 120 3 +1 0.524678 0.491627 1.682801 Rho 0.7955811E-02 |GRAD(Rho)| 0.2020522E-16 GRAD(Rho)x -0.5557211E-17 GRAD(Rho)y -0.1592439E-16 GRAD(Rho)z -0.1112575E-16 Laplacian 0.3102660E-01 (-1/4)Del**2(Rho)) -0.7756650E-02 Diamond 0.7581633E-03 Metallicity 0.7041844E+00 Ellipticity -0.1431439E+01 Gb(Abramov) 0.6081452E-02 Vb(Abramov) -0.4406254E-02 Hb(Abramov) 0.1675198E-02 Ex_ueg -0.1172999E-02 Ec_ueg -0.2762501E-03 Delta_ex -0.1395549E-02 Delta_ec 0.4467698E-03 Delta_et -0.2984519E-02 Pxc 0.4246148E+01 Qxc -0.3123642E+01 3,+1 121 3 +1 -0.618006 0.504015 -1.679195 Rho 0.8310921E-02 |GRAD(Rho)| 0.1016939E-14 GRAD(Rho)x -0.4317879E-15 GRAD(Rho)y -0.8455180E-15 GRAD(Rho)z 0.3644483E-15 Laplacian 0.3207291E-01 (-1/4)Del**2(Rho)) -0.8018228E-02 Diamond 0.8522362E-03 Metallicity 0.7326390E+00 Ellipticity -0.1490703E+01 Gb(Abramov) 0.6324563E-02 Vb(Abramov) -0.4630898E-02 Hb(Abramov) 0.1693665E-02 Ex_ueg -0.1243323E-02 Ec_ueg -0.2920645E-03 Delta_ex -0.1468167E-02 Delta_ec 0.4790985E-03 Delta_et -0.3223120E-02 Pxc 0.4257014E+01 Qxc -0.3064437E+01 3,+1 122 3 +1 2.202838 1.033502 -1.416785 Rho 0.2312603E-01 |GRAD(Rho)| 0.1395946E-15 GRAD(Rho)x -0.1277044E-15 GRAD(Rho)y -0.4163970E-16 GRAD(Rho)z 0.3800476E-16 Laplacian 0.8592337E-01 (-1/4)Del**2(Rho)) -0.2148084E-01 Diamond 0.9043986E-02 Metallicity 0.1505464E+01 Ellipticity -0.2544066E+01 Gb(Abramov) 0.1971033E-01 Vb(Abramov) -0.1793983E-01 Hb(Abramov) 0.1770508E-02 Ex_ueg -0.4866162E-02 Ec_ueg -0.9948335E-03 Delta_ex -0.5107520E-02 Delta_ec 0.1231907E-02 Delta_et -0.1073214E-01 Pxc 0.4891433E+01 Qxc -0.4146027E+01 3,+1 123 3 -1 0.420521 0.413942 -0.490825 Rho 0.1760348E+00 |GRAD(Rho)| 0.4450369E-15 GRAD(Rho)x -0.2532696E-15 GRAD(Rho)y -0.3122502E-15 GRAD(Rho)z 0.1908196E-15 Laplacian 0.4498784E+00 (-1/4)Del**2(Rho)) -0.1124696E+00 Diamond 0.1129635E+01 Metallicity 0.8469331E+01 Ellipticity 0.6325685E-02 Gb(Abramov) 0.2337368E+00 Vb(Abramov) -0.3550039E+00 Hb(Abramov) -0.1212672E+00 Ex_ueg -0.7286460E-01 Ec_ueg -0.1013046E-01 Delta_ex -0.5047125E-01 Delta_ec 0.1131417E-01 Delta_et -0.1546788E+00 Pxc 0.7192624E+01 Qxc -0.4460887E+01 3,-1 124 3 -1 -0.519080 0.439186 0.470005 Rho 0.1723198E+00 |GRAD(Rho)| 0.2016164E-15 GRAD(Rho)x -0.3469447E-16 GRAD(Rho)y 0.1769418E-15 GRAD(Rho)z 0.9020562E-16 Laplacian 0.4375938E+00 (-1/4)Del**2(Rho)) -0.1093984E+00 Diamond 0.1069937E+01 Metallicity 0.8402994E+01 Ellipticity 0.8664732E-02 Gb(Abramov) 0.2261447E+00 Vb(Abramov) -0.3428910E+00 Hb(Abramov) -0.1167463E+00 Ex_ueg -0.7082154E-01 Ec_ueg -0.9887299E-02 Delta_ex -0.4882410E-01 Delta_ec 0.1104985E-01 Delta_et -0.1506335E+00 Pxc 0.7162880E+01 Qxc -0.4418531E+01 3,-1 125 3 -1 -0.082018 -3.276203 3.307940 Rho 0.1990921E+00 |GRAD(Rho)| 0.1979499E-12 GRAD(Rho)x 0.4305657E-13 GRAD(Rho)y 0.1363964E-12 GRAD(Rho)z -0.1368441E-12 Laplacian 0.7543633E+00 (-1/4)Del**2(Rho)) -0.1885908E+00 Diamond 0.2138382E+01 Metallicity 0.6200915E+01 Ellipticity 0.2970813E-02 Gb(Abramov) 0.3206332E+00 Vb(Abramov) -0.4526755E+00 Hb(Abramov) -0.1320424E+00 Ex_ueg -0.8585988E-01 Ec_ueg -0.1165728E-01 Delta_ex -0.8689768E-01 Delta_ec 0.1766561E-01 Delta_et -0.2423884E+00 Pxc 0.7365345E+01 Qxc -0.4919031E+01 3,-1 126 3 +1 1.219149 -1.248192 2.229971 Rho 0.2339516E-01 |GRAD(Rho)| 0.6797286E-16 GRAD(Rho)x -0.6113225E-16 GRAD(Rho)y 0.8146968E-17 GRAD(Rho)z 0.2857943E-16 Laplacian 0.8503865E-01 (-1/4)Del**2(Rho)) -0.2125966E-01 Diamond 0.1070435E-01 Metallicity 0.1550744E+01 Ellipticity -0.9401456E+01 Gb(Abramov) 0.1966782E-01 Vb(Abramov) -0.1807598E-01 Hb(Abramov) 0.1591838E-02 Ex_ueg -0.4941814E-02 Ec_ueg -0.1008257E-02 Delta_ex -0.5261836E-02 Delta_ec 0.1560147E-02 Delta_et -0.1351644E-01 Pxc 0.4901342E+01 Qxc -0.3372653E+01 3,+1 127 3 -1 0.511970 1.665598 -1.742487 Rho 0.5002562E-01 |GRAD(Rho)| 0.2048861E-15 GRAD(Rho)x 0.9297224E-16 GRAD(Rho)y -0.1421749E-15 GRAD(Rho)z 0.1145460E-15 Laplacian 0.1980774E+00 (-1/4)Del**2(Rho)) -0.4951935E-01 Diamond 0.9981465E-01 Metallicity 0.2362829E+01 Ellipticity 0.2001662E-01 Gb(Abramov) 0.5251386E-01 Vb(Abramov) -0.5550837E-01 Hb(Abramov) -0.2994510E-02 Ex_ueg -0.1361366E-01 Ec_ueg -0.2416290E-02 Delta_ex -0.1627765E-01 Delta_ec 0.5850673E-02 Delta_et -0.6168783E-01 Pxc 0.5634118E+01 Qxc -0.2782185E+01 3,-1 128 3 -1 0.542809 1.835939 2.795498 Rho 0.1665212E+00 |GRAD(Rho)| 0.5283183E-15 GRAD(Rho)x -0.4813587E-15 GRAD(Rho)y -0.1292098E-15 GRAD(Rho)z -0.1752681E-15 Laplacian 0.6849834E+00 (-1/4)Del**2(Rho)) -0.1712458E+00 Diamond 0.1555652E+01 Metallicity 0.5070481E+01 Ellipticity 0.1648768E-01 Gb(Abramov) 0.2588804E+00 Vb(Abramov) -0.3465149E+00 Hb(Abramov) -0.8763452E-01 Ex_ueg -0.6766196E-01 Ec_ueg -0.9509368E-02 Delta_ex -0.7533146E-01 Delta_ec 0.1664784E-01 Delta_et -0.2238943E+00 Pxc 0.7115295E+01 Qxc -0.4524999E+01 3,-1 129 3 +1 1.503369 0.940083 -2.183760 Rho 0.2475011E-01 |GRAD(Rho)| 0.7668638E-16 GRAD(Rho)x 0.1541386E-16 GRAD(Rho)y 0.1497664E-16 GRAD(Rho)z -0.7361327E-16 Laplacian 0.9384850E-01 (-1/4)Del**2(Rho)) -0.2346213E-01 Diamond 0.9800882E-02 Metallicity 0.1543409E+01 Ellipticity -0.2057130E+01 Gb(Abramov) 0.2167669E-01 Vb(Abramov) -0.1989126E-01 Hb(Abramov) 0.1785434E-02 Ex_ueg -0.5327063E-02 Ec_ueg -0.1076141E-02 Delta_ex -0.5567534E-02 Delta_ec 0.1139581E-02 Delta_et -0.1014284E-01 Pxc 0.4950155E+01 Qxc -0.4885596E+01 3,+1 130 3 +1 0.227015 2.990382 -0.213633 Rho 0.6360832E-02 |GRAD(Rho)| 0.8348147E-17 GRAD(Rho)x -0.7173283E-17 GRAD(Rho)y -0.2304482E-17 GRAD(Rho)z -0.3595127E-17 Laplacian 0.2672009E-01 (-1/4)Del**2(Rho)) -0.6680022E-02 Diamond 0.7341071E-03 Metallicity 0.5631600E+00 Ellipticity -0.1989383E+01 Gb(Abramov) 0.5080335E-02 Vb(Abramov) -0.3480648E-02 Hb(Abramov) 0.1599687E-02 Ex_ueg -0.8704362E-03 Ec_ueg -0.2059369E-03 Delta_ex -0.1307061E-02 Delta_ec 0.6882682E-03 Delta_et -0.4077162E-02 Pxc 0.4226712E+01 Qxc -0.1899058E+01 3,+1 131 3 +3 2.351880 -0.046367 0.028442 Rho 0.3884674E-02 |GRAD(Rho)| 0.3341043E-17 GRAD(Rho)x 0.1116639E-17 GRAD(Rho)y -0.7571901E-18 GRAD(Rho)z -0.3056526E-17 Laplacian 0.1536209E-01 (-1/4)Del**2(Rho)) -0.3840524E-02 Diamond 0.1008356E-03 Metallicity 0.4306129E+00 Ellipticity -0.2895932E+00 Gb(Abramov) 0.2835979E-02 Vb(Abramov) -0.1831434E-02 Hb(Abramov) 0.1004545E-02 Ex_ueg -0.4510152E-03 Ec_ueg -0.9923611E-04 Delta_ex -0.5274390E-03 Delta_ec 0.1253541E-03 Delta_et -0.7787793E-03 Pxc 0.4544869E+01 Qxc -0.4207592E+01 3,+3 132 3 -1 -0.084106 3.164219 -3.197009 Rho 0.2248997E+00 |GRAD(Rho)| 0.1552791E-13 GRAD(Rho)x 0.8789356E-15 GRAD(Rho)y -0.1257019E-13 GRAD(Rho)z 0.9073796E-14 Laplacian 0.8357565E+00 (-1/4)Del**2(Rho)) -0.2089391E+00 Diamond 0.2731489E+01 Metallicity 0.6857749E+01 Ellipticity 0.1806696E-02 Gb(Abramov) 0.3781014E+00 Vb(Abramov) -0.5472637E+00 Hb(Abramov) -0.1691623E+00 Ex_ueg -0.1010114E+00 Ec_ueg -0.1340152E-01 Delta_ex -0.9927156E-01 Delta_ec 0.1879542E-01 Delta_et -0.2595446E+00 Pxc 0.7537305E+01 Qxc -0.5281689E+01 3,-1 133 3 -1 0.844071 -3.081717 2.064151 Rho 0.1318257E+00 |GRAD(Rho)| 0.3101489E-15 GRAD(Rho)x -0.1631318E-15 GRAD(Rho)y 0.2076925E-15 GRAD(Rho)z 0.1626168E-15 Laplacian 0.5337600E+00 (-1/4)Del**2(Rho)) -0.1334400E+00 Diamond 0.9421758E+00 Metallicity 0.4408262E+01 Ellipticity 0.2454043E-01 Gb(Abramov) 0.1869997E+00 Vb(Abramov) -0.2405595E+00 Hb(Abramov) -0.5355975E-01 Ex_ueg -0.4955094E-01 Ec_ueg -0.7290458E-02 Delta_ex -0.5573366E-01 Delta_ec 0.1431344E-01 Delta_et -0.1875302E+00 Pxc 0.6796684E+01 Qxc -0.3893800E+01 3,-1 134 3 -1 0.855088 -2.018549 3.117881 Rho 0.1258892E+00 |GRAD(Rho)| 0.1160359E-15 GRAD(Rho)x -0.1090978E-15 GRAD(Rho)y -0.1141123E-16 GRAD(Rho)z -0.3783866E-16 Laplacian 0.5092601E+00 (-1/4)Del**2(Rho)) -0.1273150E+00 Diamond 0.8552664E+00 Metallicity 0.4278791E+01 Ellipticity 0.9152925E-02 Gb(Abramov) 0.1756691E+00 Vb(Abramov) -0.2240232E+00 Hb(Abramov) -0.4835406E-01 Ex_ueg -0.4659827E-01 Ec_ueg -0.6918451E-02 Delta_ex -0.5265169E-01 Delta_ec 0.1391250E-01 Delta_et -0.1810520E+00 Pxc 0.6735362E+01 Qxc -0.3784487E+01 3,-1 135 3 +3 1.102381 1.085230 1.088799 Rho 0.4504977E-02 |GRAD(Rho)| 0.1405477E-15 GRAD(Rho)x -0.6958545E-16 GRAD(Rho)y -0.7348406E-16 GRAD(Rho)z -0.9752747E-16 Laplacian 0.1757673E-01 (-1/4)Del**2(Rho)) -0.4394183E-02 Diamond 0.1131270E-03 Metallicity 0.4817585E+00 Ellipticity -0.1933047E+00 Gb(Abramov) 0.3282278E-02 Vb(Abramov) -0.2170373E-02 Hb(Abramov) 0.1111905E-02 Ex_ueg -0.5495095E-03 Ec_ueg -0.1256725E-03 Delta_ex -0.5971512E-03 Delta_ec 0.9019604E-04 Delta_et -0.6639315E-03 Pxc 0.4372550E+01 Qxc -0.6620592E+01 3,+3 136 3 -1 0.848875 1.968467 -3.015380 Rho 0.1576298E+00 |GRAD(Rho)| 0.5735886E-13 GRAD(Rho)x -0.4466756E-13 GRAD(Rho)y 0.3130395E-13 GRAD(Rho)z 0.1774572E-13 Laplacian 0.6104763E+00 (-1/4)Del**2(Rho)) -0.1526191E+00 Diamond 0.1307598E+01 Metallicity 0.5192083E+01 Ellipticity 0.4062585E-01 Gb(Abramov) 0.2338145E+00 Vb(Abramov) -0.3150100E+00 Hb(Abramov) -0.8119545E-01 Ex_ueg -0.6288825E-01 Ec_ueg -0.8933707E-02 Delta_ex -0.6631531E-01 Delta_ec 0.1520667E-01 Delta_et -0.2035625E+00 Pxc 0.7039435E+01 Qxc -0.4360937E+01 3,-1 137 3 -1 0.538340 2.803033 1.808653 Rho 0.1321660E+00 |GRAD(Rho)| 0.2986864E-14 GRAD(Rho)x -0.1811878E-14 GRAD(Rho)y 0.4768524E-15 GRAD(Rho)z 0.2326169E-14 Laplacian 0.5457575E+00 (-1/4)Del**2(Rho)) -0.1364394E+00 Diamond 0.9515275E+00 Metallicity 0.4329918E+01 Ellipticity 0.1118284E-01 Gb(Abramov) 0.1894215E+00 Vb(Abramov) -0.2424035E+00 Hb(Abramov) -0.5298209E-01 Ex_ueg -0.4972155E-01 Ec_ueg -0.7311852E-02 Delta_ex -0.5684702E-01 Delta_ec 0.1431430E-01 Delta_et -0.1870392E+00 Pxc 0.6800131E+01 Qxc -0.3971344E+01 3,-1 138 3 -1 0.831687 2.958190 -1.991485 Rho 0.1278874E+00 |GRAD(Rho)| 0.2502526E-15 GRAD(Rho)x -0.1793541E-15 GRAD(Rho)y -0.1316018E-15 GRAD(Rho)z -0.1146273E-15 Laplacian 0.5025969E+00 (-1/4)Del**2(Rho)) -0.1256492E+00 Diamond 0.8406030E+00 Metallicity 0.4450816E+01 Ellipticity 0.3514892E-01 Gb(Abramov) 0.1769731E+00 Vb(Abramov) -0.2282969E+00 Hb(Abramov) -0.5132385E-01 Ex_ueg -0.4758704E-01 Ec_ueg -0.7043403E-02 Delta_ex -0.5191689E-01 Delta_ec 0.1324879E-01 Delta_et -0.1721240E+00 Pxc 0.6756258E+01 Qxc -0.3918613E+01 3,-1 139 3 +1 0.279627 -1.428737 -1.792324 Rho 0.5196593E-02 |GRAD(Rho)| 0.1207606E-16 GRAD(Rho)x -0.1142932E-16 GRAD(Rho)y 0.3129570E-17 GRAD(Rho)z 0.2325444E-17 Laplacian 0.2039807E-01 (-1/4)Del**2(Rho)) -0.5099517E-02 Diamond 0.4825222E-03 Metallicity 0.5266903E+00 Ellipticity -0.3223114E+01 Gb(Abramov) 0.3847322E-02 Vb(Abramov) -0.2595128E-02 Hb(Abramov) 0.1252195E-02 Ex_ueg -0.6647780E-03 Ec_ueg -0.1553828E-03 Delta_ex -0.1005471E-02 Delta_ec 0.6132232E-03 Delta_et -0.3380807E-02 Pxc 0.4278325E+01 Qxc -0.1639649E+01 3,+1 140 3 -1 0.511291 -1.769984 1.768283 Rho 0.4101149E-01 |GRAD(Rho)| 0.9292931E-16 GRAD(Rho)x -0.4894305E-16 GRAD(Rho)y -0.7031940E-16 GRAD(Rho)z 0.3599467E-16 Laplacian 0.1736651E+00 (-1/4)Del**2(Rho)) -0.4341628E-01 Diamond 0.7225183E-01 Metallicity 0.1935277E+01 Ellipticity 0.2189571E-01 Gb(Abramov) 0.4294794E-01 Vb(Abramov) -0.4247960E-01 Hb(Abramov) 0.4683399E-03 Ex_ueg -0.1044542E-01 Ec_ueg -0.1924405E-02 Delta_ex -0.1388508E-01 Delta_ec 0.5683769E-02 Delta_et -0.5693398E-01 Pxc 0.5427867E+01 Qxc -0.2442935E+01 3,-1 141 3 +1 2.048737 2.014615 -2.034975 Rho 0.1171961E-01 |GRAD(Rho)| 0.1604880E-16 GRAD(Rho)x 0.1305499E-16 GRAD(Rho)y -0.8678130E-17 GRAD(Rho)z -0.3438202E-17 Laplacian 0.5325216E-01 (-1/4)Del**2(Rho)) -0.1331304E-01 Diamond 0.1629606E-02 Metallicity 0.7824646E+00 Ellipticity -0.1129909E+01 Gb(Abramov) 0.1061152E-01 Vb(Abramov) -0.7910007E-02 Hb(Abramov) 0.2701516E-02 Ex_ueg -0.1966087E-02 Ec_ueg -0.4466408E-03 Delta_ex -0.2471245E-02 Delta_ec 0.4589763E-03 Delta_et -0.3602375E-02 Pxc 0.4401942E+01 Qxc -0.5384254E+01 3,+1 142 3 -1 0.009661 2.984686 0.004247 Rho 0.6503070E-02 |GRAD(Rho)| 0.1062778E-16 GRAD(Rho)x -0.9758158E-17 GRAD(Rho)y 0.1114351E-17 GRAD(Rho)z -0.4060326E-17 Laplacian 0.2587300E-01 (-1/4)Del**2(Rho)) -0.6468251E-02 Diamond 0.1007439E-02 Metallicity 0.6034348E+00 Ellipticity 0.1227573E+01 Gb(Abramov) 0.4962695E-02 Vb(Abramov) -0.3457140E-02 Hb(Abramov) 0.1505556E-02 Ex_ueg -0.8964849E-03 Ec_ueg -0.2121586E-03 Delta_ex -0.1451528E-02 Delta_ec 0.9876748E-03 Delta_et -0.5735956E-02 Pxc 0.4225540E+01 Qxc -0.1469642E+01 3,-1 143 3 +1 1.753463 1.798138 1.762807 Rho 0.1195370E-01 |GRAD(Rho)| 0.1859508E-16 GRAD(Rho)x 0.2764101E-17 GRAD(Rho)y 0.9165179E-17 GRAD(Rho)z -0.1594165E-16 Laplacian 0.5849922E-01 (-1/4)Del**2(Rho)) -0.1462480E-01 Diamond 0.2293681E-02 Metallicity 0.7361516E+00 Ellipticity -0.1266019E+01 Gb(Abramov) 0.1154422E-01 Vb(Abramov) -0.8463626E-02 Hb(Abramov) 0.3080589E-02 Ex_ueg -0.2018622E-02 Ec_ueg -0.4574322E-03 Delta_ex -0.2861527E-02 Delta_ec 0.7396122E-03 Delta_et -0.5555793E-02 Pxc 0.4412943E+01 Qxc -0.3868955E+01 3,+1 144 3 -1 1.728480 -0.590900 1.730310 Rho 0.4043134E-01 |GRAD(Rho)| 0.1161139E-14 GRAD(Rho)x -0.9356614E-15 GRAD(Rho)y -0.6869977E-15 GRAD(Rho)z 0.2855306E-16 Laplacian 0.1713423E+00 (-1/4)Del**2(Rho)) -0.4283557E-01 Diamond 0.6998944E-01 Metallicity 0.1915485E+01 Ellipticity 0.2770041E-01 Gb(Abramov) 0.4223220E-01 Vb(Abramov) -0.4162882E-01 Hb(Abramov) 0.6033755E-03 Ex_ueg -0.1024887E-01 Ec_ueg -0.1893216E-02 Delta_ex -0.1365601E-01 Delta_ec 0.5615353E-02 Delta_et -0.5602973E-01 Pxc 0.5413469E+01 Qxc -0.2431906E+01 3,-1 145 3 -1 1.183381 -2.335621 -2.072254 Rho 0.5144668E-01 |GRAD(Rho)| 0.1685122E-13 GRAD(Rho)x -0.1598138E-13 GRAD(Rho)y -0.2599197E-14 GRAD(Rho)z 0.4669400E-14 Laplacian 0.1242800E+00 (-1/4)Del**2(Rho)) -0.3107000E-01 Diamond 0.1025089E+00 Metallicity 0.3945853E+01 Ellipticity 0.5055784E-02 Gb(Abramov) 0.4114627E-01 Vb(Abramov) -0.5122254E-01 Hb(Abramov) -0.1007627E-01 Ex_ueg -0.1413171E-01 Ec_ueg -0.2494996E-02 Delta_ex -0.1183950E-01 Delta_ec 0.6444474E-02 Delta_et -0.6931084E-01 Pxc 0.5664023E+01 Qxc -0.1837156E+01 3,-1 146 3 +1 1.372181 -2.247042 1.046227 Rho 0.2423971E-01 |GRAD(Rho)| 0.1295999E-16 GRAD(Rho)x -0.1076983E-17 GRAD(Rho)y -0.1289764E-16 GRAD(Rho)z -0.6726467E-18 Laplacian 0.8969575E-01 (-1/4)Del**2(Rho)) -0.2242394E-01 Diamond 0.1056136E-01 Metallicity 0.1559746E+01 Ellipticity -0.3219342E+01 Gb(Abramov) 0.2077856E-01 Vb(Abramov) -0.1913319E-01 Hb(Abramov) 0.1645373E-02 Ex_ueg -0.5181097E-02 Ec_ueg -0.1050512E-02 Delta_ex -0.5455670E-02 Delta_ec 0.1384345E-02 Delta_et -0.1216258E-01 Pxc 0.4931975E+01 Qxc -0.3940977E+01 3,+1 147 3 +3 1.940982 -2.004129 1.986433 Rho 0.1112826E-01 |GRAD(Rho)| 0.6107668E-17 GRAD(Rho)x -0.2053415E-17 GRAD(Rho)y 0.2453639E-17 GRAD(Rho)z 0.5202572E-17 Laplacian 0.4333379E-01 (-1/4)Del**2(Rho)) -0.1083345E-01 Diamond 0.8898342E-03 Metallicity 0.8820606E+00 Ellipticity -0.9041517E+00 Gb(Abramov) 0.8814926E-02 Vb(Abramov) -0.6796402E-02 Hb(Abramov) 0.2018523E-02 Ex_ueg -0.1834938E-02 Ec_ueg -0.4194774E-03 Delta_ex -0.1872190E-02 Delta_ec 0.1767800E-03 Delta_et -0.1609032E-02 Pxc 0.4374342E+01 Qxc -0.1059051E+02 3,+3 148 3 -1 1.721384 1.716750 -0.530367 Rho 0.3967721E-01 |GRAD(Rho)| 0.2168030E-15 GRAD(Rho)x 0.1031127E-15 GRAD(Rho)y 0.1860269E-15 GRAD(Rho)z 0.4201559E-16 Laplacian 0.1540887E+00 (-1/4)Del**2(Rho)) -0.3852218E-01 Diamond 0.5577384E-01 Metallicity 0.2064164E+01 Ellipticity 0.1514198E-01 Gb(Abramov) 0.3893414E-01 Vb(Abramov) -0.3934609E-01 Hb(Abramov) -0.4119580E-03 Ex_ueg -0.9994780E-02 Ec_ueg -0.1852765E-02 Delta_ex -0.1189763E-01 Delta_ec 0.4466092E-02 Delta_et -0.4427385E-01 Pxc 0.5394521E+01 Qxc -0.2663990E+01 3,-1 149 3 +3 1.947387 1.895857 -1.927562 Rho 0.1164065E-01 |GRAD(Rho)| 0.1581621E-14 GRAD(Rho)x -0.1163805E-14 GRAD(Rho)y -0.1729342E-15 GRAD(Rho)z 0.1056966E-14 Laplacian 0.5231557E-01 (-1/4)Del**2(Rho)) -0.1307889E-01 Diamond 0.1198435E-02 Metallicity 0.7875493E+00 Ellipticity -0.7934201E+00 Gb(Abramov) 0.1043597E-01 Vb(Abramov) -0.7793055E-02 Hb(Abramov) 0.2642919E-02 Ex_ueg -0.1948445E-02 Ec_ueg -0.4430058E-03 Delta_ex -0.2306587E-02 Delta_ec 0.2426332E-03 Delta_et -0.2146561E-02 Pxc 0.4398238E+01 Qxc -0.9506478E+01 3,+3 150 3 +1 1.951146 -1.823590 -1.780439 Rho 0.1370280E-01 |GRAD(Rho)| 0.2229115E-16 GRAD(Rho)x 0.1452153E-16 GRAD(Rho)y 0.1656404E-16 GRAD(Rho)z 0.3413695E-17 Laplacian 0.5828639E-01 (-1/4)Del**2(Rho)) -0.1457160E-01 Diamond 0.2611288E-02 Metallicity 0.9276724E+00 Ellipticity -0.1405642E+01 Gb(Abramov) 0.1196734E-01 Vb(Abramov) -0.9363090E-02 Hb(Abramov) 0.2604254E-02 Ex_ueg -0.2421758E-02 Ec_ueg -0.5387358E-03 Delta_ex -0.2921398E-02 Delta_ec 0.6740288E-03 Delta_et -0.5278265E-02 Pxc 0.4495260E+01 Qxc -0.4334233E+01 3,+1 151 3 -1 1.678765 -1.819323 0.481749 Rho 0.3759550E-01 |GRAD(Rho)| 0.2551105E-12 GRAD(Rho)x 0.1617457E-12 GRAD(Rho)y -0.1744337E-12 GRAD(Rho)z -0.9215518E-13 Laplacian 0.1587786E+00 (-1/4)Del**2(Rho)) -0.3969466E-01 Diamond 0.5909910E-01 Metallicity 0.1831109E+01 Ellipticity 0.7261706E-02 Gb(Abramov) 0.3857731E-01 Vb(Abramov) -0.3745997E-01 Hb(Abramov) 0.1117344E-02 Ex_ueg -0.9301783E-02 Ec_ueg -0.1741649E-02 Delta_ex -0.1245530E-01 Delta_ec 0.5244036E-02 Delta_et -0.5128707E-01 Pxc 0.5340790E+01 Qxc -0.2375136E+01 3,-1 152 3 -1 1.211594 -1.811339 -2.631030 Rho 0.2944675E+00 |GRAD(Rho)| 0.6844666E-15 GRAD(Rho)x 0.2761453E-15 GRAD(Rho)y -0.4167387E-15 GRAD(Rho)z 0.4675116E-15 Laplacian -0.1394453E+01 (-1/4)Del**2(Rho)) 0.3486132E+00 Diamond 0.4608726E+01 Metallicity -0.6440779E+01 Ellipticity 0.1704523E-02 Gb(Abramov) 0.1418146E+00 Vb(Abramov) -0.6322424E+00 Hb(Abramov) -0.4904278E+00 Ex_ueg -0.1446888E+00 Ec_ueg -0.1828557E-01 Delta_ex 0.1335843E+00 Delta_ec 0.5010634E-01 Delta_et -0.1144387E+01 Pxc 0.7912730E+01 Qxc 0.2666015E+01 3,-1 153 3 -1 1.787805 2.808293 0.564292 Rho 0.1390537E+00 |GRAD(Rho)| 0.2486950E-15 GRAD(Rho)x -0.2450161E-15 GRAD(Rho)y -0.4021035E-16 GRAD(Rho)z 0.1412173E-16 Laplacian 0.5817557E+00 (-1/4)Del**2(Rho)) -0.1454389E+00 Diamond 0.1072389E+01 Metallicity 0.4420894E+01 Ellipticity 0.1306639E-01 Gb(Abramov) 0.2041210E+00 Vb(Abramov) -0.2628030E+00 Hb(Abramov) -0.5868203E-01 Ex_ueg -0.5320614E-01 Ec_ueg -0.7746518E-02 Delta_ex -0.6128416E-01 Delta_ec 0.1495978E-01 Delta_et -0.1967995E+00 Pxc 0.6868394E+01 Qxc -0.4096595E+01 3,-1 154 3 -1 -0.585261 1.775338 -2.802872 Rho 0.1648166E+00 |GRAD(Rho)| 0.6557917E-12 GRAD(Rho)x 0.3114322E-12 GRAD(Rho)y -0.5267687E-12 GRAD(Rho)z -0.2357701E-12 Laplacian 0.6894289E+00 (-1/4)Del**2(Rho)) -0.1723572E+00 Diamond 0.1546396E+01 Metallicity 0.4952129E+01 Ellipticity 0.1499788E-01 Gb(Abramov) 0.2571607E+00 Vb(Abramov) -0.3419641E+00 Hb(Abramov) -0.8480346E-01 Ex_ueg -0.6674002E-01 Ec_ueg -0.9398640E-02 Delta_ex -0.7562463E-01 Delta_ec 0.1679853E-01 Delta_et -0.2256449E+00 Pxc 0.7101029E+01 Qxc -0.4501860E+01 3,-1 155 3 -1 2.012379 -0.897479 3.084736 Rho 0.1286922E+00 |GRAD(Rho)| 0.5397236E-12 GRAD(Rho)x 0.3011119E-12 GRAD(Rho)y 0.3591150E-12 GRAD(Rho)z -0.2677118E-12 Laplacian 0.5187847E+00 (-1/4)Del**2(Rho)) -0.1296962E+00 Diamond 0.8939550E+00 Metallicity 0.4357257E+01 Ellipticity 0.1428382E-01 Gb(Abramov) 0.1806507E+00 Vb(Abramov) -0.2316052E+00 Hb(Abramov) -0.5095453E-01 Ex_ueg -0.4798676E-01 Ec_ueg -0.7093807E-02 Delta_ex -0.5391088E-01 Delta_ec 0.1408513E-01 Delta_et -0.1839675E+00 Pxc 0.6764600E+01 Qxc -0.3827503E+01 3,-1 156 3 -1 1.985254 -0.658012 -2.873327 Rho 0.1364604E+00 |GRAD(Rho)| 0.4759906E-09 GRAD(Rho)x -0.3165327E-09 GRAD(Rho)y -0.3237444E-09 GRAD(Rho)z -0.1468456E-09 Laplacian 0.5290801E+00 (-1/4)Del**2(Rho)) -0.1322700E+00 Diamond 0.9942386E+00 Metallicity 0.4710890E+01 Ellipticity 0.1058754E+00 Gb(Abramov) 0.1920316E+00 Vb(Abramov) -0.2517932E+00 Hb(Abramov) -0.5976157E-01 Ex_ueg -0.5188725E-01 Ec_ueg -0.7582503E-02 Delta_ex -0.5594104E-01 Delta_ec 0.1449000E-01 Delta_et -0.1917324E+00 Pxc 0.6843024E+01 Qxc -0.3860666E+01 3,-1 157 3 +1 1.721033 -0.600660 -0.549630 Rho 0.7099601E-02 |GRAD(Rho)| 0.7487096E-17 GRAD(Rho)x -0.7384175E-17 GRAD(Rho)y -0.1154604E-17 GRAD(Rho)z 0.4443569E-18 Laplacian 0.2636661E-01 (-1/4)Del**2(Rho)) -0.6591651E-02 Diamond 0.5298655E-03 Metallicity 0.6854075E+00 Ellipticity -0.1395194E+01 Gb(Abramov) 0.5147429E-02 Vb(Abramov) -0.3703206E-02 Hb(Abramov) 0.1444223E-02 Ex_ueg -0.1007775E-02 Ec_ueg -0.2383568E-03 Delta_ex -0.1139998E-02 Delta_ec 0.3568114E-03 Delta_et -0.2332913E-02 Pxc 0.4228011E+01 Qxc -0.3194960E+01 3,+1 158 3 -1 1.779671 0.469862 -1.738534 Rho 0.3718487E-01 |GRAD(Rho)| 0.5138673E-16 GRAD(Rho)x -0.2093654E-16 GRAD(Rho)y 0.9754431E-17 GRAD(Rho)z 0.4590326E-16 Laplacian 0.1552097E+00 (-1/4)Del**2(Rho)) -0.3880242E-01 Diamond 0.5674448E-01 Metallicity 0.1839239E+01 Ellipticity 0.1939970E-01 Gb(Abramov) 0.3776277E-01 Vb(Abramov) -0.3672311E-01 Hb(Abramov) 0.1039653E-02 Ex_ueg -0.9166568E-02 Ec_ueg -0.1719828E-02 Delta_ex -0.1213222E-01 Delta_ec 0.5106923E-02 Delta_et -0.4979275E-01 Pxc 0.5329932E+01 Qxc -0.2375643E+01 3,-1 159 3 -1 1.817377 0.547331 2.791532 Rho 0.9365507E-01 |GRAD(Rho)| 0.1992618E-11 GRAD(Rho)x 0.1096145E-11 GRAD(Rho)y -0.1637153E-11 GRAD(Rho)z 0.2978637E-12 Laplacian 0.4073939E+00 (-1/4)Del**2(Rho)) -0.1018485E+00 Diamond 0.4863866E+00 Metallicity 0.3267012E+01 Ellipticity 0.1986657E-01 Gb(Abramov) 0.1233557E+00 Vb(Abramov) -0.1448629E+00 Hb(Abramov) -0.2150721E-01 Ex_ueg -0.3141184E-01 Ec_ueg -0.4942329E-02 Delta_ex -0.3944350E-01 Delta_ec 0.1213212E-01 Delta_et -0.1493817E+00 Pxc 0.6355677E+01 Qxc -0.3251163E+01 3,-1 160 3 -1 2.055255 0.835490 -3.008188 Rho 0.9662884E-01 |GRAD(Rho)| 0.3926135E-15 GRAD(Rho)x -0.2810523E-15 GRAD(Rho)y 0.2632036E-15 GRAD(Rho)z -0.7667342E-16 Laplacian 0.4007400E+00 (-1/4)Del**2(Rho)) -0.1001850E+00 Diamond 0.4937948E+00 Metallicity 0.3498875E+01 Ellipticity 0.4537678E-02 Gb(Abramov) 0.1252125E+00 Vb(Abramov) -0.1502399E+00 Hb(Abramov) -0.2502747E-01 Ex_ueg -0.3274870E-01 Ec_ueg -0.5121296E-02 Delta_ex -0.3902242E-01 Delta_ec 0.1175736E-01 Delta_et -0.1456231E+00 Pxc 0.6394613E+01 Qxc -0.3318977E+01 3,-1 161 3 -1 2.816350 0.562004 1.820057 Rho 0.1015268E+00 |GRAD(Rho)| 0.5630853E-15 GRAD(Rho)x -0.1752003E-16 GRAD(Rho)y -0.4546263E-15 GRAD(Rho)z 0.3317726E-15 Laplacian 0.4424698E+00 (-1/4)Del**2(Rho)) -0.1106175E+00 Diamond 0.5843371E+00 Metallicity 0.3441101E+01 Ellipticity 0.8296525E-02 Gb(Abramov) 0.1371859E+00 Vb(Abramov) -0.1637544E+00 Hb(Abramov) -0.2656848E-01 Ex_ueg -0.3498050E-01 Ec_ueg -0.5417633E-02 Delta_ex -0.4367266E-01 Delta_ec 0.1301156E-01 Delta_et -0.1630107E+00 Pxc 0.6456787E+01 Qxc -0.3356450E+01 3,-1 162 3 -1 3.178125 -3.376511 -0.119055 Rho 0.1931044E+00 |GRAD(Rho)| 0.5385877E-13 GRAD(Rho)x -0.3660250E-13 GRAD(Rho)y 0.3907307E-13 GRAD(Rho)z 0.5858188E-14 Laplacian 0.7290549E+00 (-1/4)Del**2(Rho)) -0.1822637E+00 Diamond 0.1999954E+01 Metallicity 0.6097803E+01 Ellipticity 0.7644448E-02 Gb(Abramov) 0.3067438E+00 Vb(Abramov) -0.4312240E+00 Hb(Abramov) -0.1244801E+00 Ex_ueg -0.8243432E-01 Ec_ueg -0.1125789E-01 Delta_ex -0.8338689E-01 Delta_ec 0.1731400E-01 Delta_et -0.2372735E+00 Pxc 0.7322357E+01 Qxc -0.4816154E+01 3,-1 163 3 -1 3.084038 0.884641 -1.974032 Rho 0.1005738E+00 |GRAD(Rho)| 0.3012163E-15 GRAD(Rho)x 0.2506201E-16 GRAD(Rho)y 0.2388294E-15 GRAD(Rho)z 0.1818343E-15 Laplacian 0.4234443E+00 (-1/4)Del**2(Rho)) -0.1058611E+00 Diamond 0.5473410E+00 Metallicity 0.3539634E+01 Ellipticity 0.8443483E-02 Gb(Abramov) 0.1330256E+00 Vb(Abramov) -0.1601902E+00 Hb(Abramov) -0.2716455E-01 Ex_ueg -0.3454339E-01 Ec_ueg -0.5359824E-02 Delta_ex -0.4161017E-01 Delta_ec 0.1230942E-01 Delta_et -0.1537190E+00 Pxc 0.6444873E+01 Qxc -0.3380351E+01 3,-1 164 3 -1 2.795073 1.855816 0.577163 Rho 0.1638868E+00 |GRAD(Rho)| 0.8063577E-14 GRAD(Rho)x -0.1450425E-14 GRAD(Rho)y 0.5678428E-14 GRAD(Rho)z -0.5538322E-14 Laplacian 0.6733157E+00 (-1/4)Del**2(Rho)) -0.1683289E+00 Diamond 0.1505593E+01 Metallicity 0.5023053E+01 Ellipticity 0.1273597E-01 Gb(Abramov) 0.2531401E+00 Vb(Abramov) -0.3379513E+00 Hb(Abramov) -0.8481122E-01 Ex_ueg -0.6623849E-01 Ec_ueg -0.9338317E-02 Delta_ex -0.7380219E-01 Delta_ec 0.1651779E-01 Delta_et -0.2219599E+00 Pxc 0.7093193E+01 Qxc -0.4468044E+01 3,-1 165 3 +1 3.057122 -0.124527 0.148588 Rho 0.4772184E-02 |GRAD(Rho)| 0.1544148E-17 GRAD(Rho)x -0.1141091E-17 GRAD(Rho)y -0.4584138E-18 GRAD(Rho)z -0.9338957E-18 Laplacian 0.1819273E-01 (-1/4)Del**2(Rho)) -0.4548182E-02 Diamond 0.3755666E-03 Metallicity 0.5123624E+00 Ellipticity -0.2755705E+01 Gb(Abramov) 0.3420508E-02 Vb(Abramov) -0.2292833E-02 Hb(Abramov) 0.1127674E-02 Ex_ueg -0.5933914E-03 Ec_ueg -0.1371222E-03 Delta_ex -0.8738102E-03 Delta_ec 0.5324509E-03 Delta_et -0.2867845E-02 Pxc 0.4327466E+01 Qxc -0.1641109E+01 3,+1 166 3 -1 3.056254 -0.922607 2.014934 Rho 0.1549560E+00 |GRAD(Rho)| 0.6863400E-15 GRAD(Rho)x -0.3090518E-15 GRAD(Rho)y 0.5006032E-15 GRAD(Rho)z 0.3534770E-15 Laplacian 0.6133516E+00 (-1/4)Del**2(Rho)) -0.1533379E+00 Diamond 0.1306579E+01 Metallicity 0.5022474E+01 Ellipticity 0.3679760E-01 Gb(Abramov) 0.2305812E+00 Vb(Abramov) -0.3078245E+00 Hb(Abramov) -0.7724330E-01 Ex_ueg -0.6146996E-01 Ec_ueg -0.8761521E-02 Delta_ex -0.6653259E-01 Delta_ec 0.1567713E-01 Delta_et -0.2102022E+00 Pxc 0.7015901E+01 Qxc -0.4243926E+01 3,-1 167 3 -1 2.933360 -0.613948 -1.815840 Rho 0.1474553E+00 |GRAD(Rho)| 0.9061085E-16 GRAD(Rho)x 0.4992751E-16 GRAD(Rho)y -0.4247362E-16 GRAD(Rho)z -0.6255847E-16 Laplacian 0.6107725E+00 (-1/4)Del**2(Rho)) -0.1526931E+00 Diamond 0.1231887E+01 Metallicity 0.4643381E+01 Ellipticity 0.1941265E-01 Gb(Abramov) 0.2199641E+00 Vb(Abramov) -0.2872352E+00 Hb(Abramov) -0.6727102E-01 Ex_ueg -0.5753501E-01 Ec_ueg -0.8280816E-02 Delta_ex -0.6551326E-01 Delta_ec 0.1591433E-01 Delta_et -0.2121337E+00 Pxc 0.6947989E+01 Qxc -0.4116620E+01 3,-1 168 3 -1 3.381200 -0.018987 -3.220094 Rho 0.1999120E+00 |GRAD(Rho)| 0.2658519E-10 GRAD(Rho)x 0.1923257E-10 GRAD(Rho)y -0.1854419E-11 GRAD(Rho)z -0.1826038E-10 Laplacian 0.7520519E+00 (-1/4)Del**2(Rho)) -0.1880130E+00 Diamond 0.2143630E+01 Metallicity 0.6262725E+01 Ellipticity 0.4267932E-02 Gb(Abramov) 0.3215876E+00 Vb(Abramov) -0.4551622E+00 Hb(Abramov) -0.1335746E+00 Ex_ueg -0.8633166E-01 Ec_ueg -0.1171212E-01 Delta_ex -0.8673080E-01 Delta_ec 0.1760678E-01 Delta_et -0.2417142E+00 Pxc 0.7371136E+01 Qxc -0.4925989E+01 3,-1 169 3 -1 3.265322 0.029348 3.236204 Rho 0.1992851E+00 |GRAD(Rho)| 0.8001490E-16 GRAD(Rho)x -0.3919391E-16 GRAD(Rho)y 0.6936183E-16 GRAD(Rho)z 0.7426785E-17 Laplacian 0.7550820E+00 (-1/4)Del**2(Rho)) -0.1887705E+00 Diamond 0.2143880E+01 Metallicity 0.6205027E+01 Ellipticity 0.2715144E-02 Gb(Abramov) 0.3210680E+00 Vb(Abramov) -0.4533655E+00 Hb(Abramov) -0.1322975E+00 Ex_ueg -0.8597088E-01 Ec_ueg -0.1167019E-01 Delta_ex -0.8700857E-01 Delta_ec 0.1768953E-01 Delta_et -0.2427764E+00 Pxc 0.7366711E+01 Qxc -0.4918647E+01 3,-1 170 3 -1 2.847111 -1.897822 -0.608490 Rho 0.1076957E+00 |GRAD(Rho)| 0.1091610E-15 GRAD(Rho)x -0.2228713E-16 GRAD(Rho)y 0.2767426E-16 GRAD(Rho)z 0.1032160E-15 Laplacian 0.4543245E+00 (-1/4)Del**2(Rho)) -0.1135811E+00 Diamond 0.6390419E+00 Metallicity 0.3697523E+01 Ellipticity 0.2456804E-01 Gb(Abramov) 0.1457156E+00 Vb(Abramov) -0.1778500E+00 Hb(Abramov) -0.3213443E-01 Ex_ueg -0.3784276E-01 Ec_ueg -0.5793542E-02 Delta_ex -0.4537784E-01 Delta_ec 0.1304637E-01 Delta_et -0.1652184E+00 Pxc 0.6531887E+01 Qxc -0.3478197E+01 3,-1 171 3 -1 1.977683 3.003227 -0.839211 Rho 0.1356847E+00 |GRAD(Rho)| 0.4271002E-14 GRAD(Rho)x 0.2701737E-14 GRAD(Rho)y -0.1679409E-14 GRAD(Rho)z 0.2849853E-14 Laplacian 0.5323615E+00 (-1/4)Del**2(Rho)) -0.1330904E+00 Diamond 0.9546505E+00 Metallicity 0.4637580E+01 Ellipticity 0.3559572E-01 Gb(Abramov) 0.1915965E+00 Vb(Abramov) -0.2501026E+00 Hb(Abramov) -0.5850609E-01 Ex_ueg -0.5149436E-01 Ec_ueg -0.7533527E-02 Delta_ex -0.5576786E-01 Delta_ec 0.1380813E-01 Delta_et -0.1810443E+00 Pxc 0.6835359E+01 Qxc -0.4038771E+01 3,-1 172 3 -1 -3.059036 -2.085876 -0.853163 Rho 0.1478519E+00 |GRAD(Rho)| 0.5403079E-13 GRAD(Rho)x 0.2229162E-13 GRAD(Rho)y 0.4169363E-13 GRAD(Rho)z -0.2615437E-13 Laplacian 0.5850108E+00 (-1/4)Del**2(Rho)) -0.1462527E+00 Diamond 0.1160360E+01 Metallicity 0.4869607E+01 Ellipticity 0.5032223E-01 Gb(Abramov) 0.2162007E+00 Vb(Abramov) -0.2861486E+00 Hb(Abramov) -0.6994796E-01 Ex_ueg -0.5774142E-01 Ec_ueg -0.8306144E-02 Delta_ex -0.6255373E-01 Delta_ec 0.1480918E-01 Delta_et -0.1965441E+00 Pxc 0.6951651E+01 Qxc -0.4223983E+01 3,-1 173 3 -1 -2.870594 -1.811899 0.581188 Rho 0.1451303E+00 |GRAD(Rho)| 0.3719315E-12 GRAD(Rho)x -0.9630478E-13 GRAD(Rho)y 0.2726073E-12 GRAD(Rho)z 0.2339738E-12 Laplacian 0.5911459E+00 (-1/4)Del**2(Rho)) -0.1477865E+00 Diamond 0.1145293E+01 Metallicity 0.4672133E+01 Ellipticity 0.1414131E-01 Gb(Abramov) 0.2136040E+00 Vb(Abramov) -0.2794215E+00 Hb(Abramov) -0.6581753E-01 Ex_ueg -0.5632862E-01 Ec_ueg -0.8132515E-02 Delta_ex -0.6290813E-01 Delta_ec 0.1500815E-01 Delta_et -0.1986051E+00 Pxc 0.6926348E+01 Qxc -0.4191597E+01 3,-1 174 3 -1 -0.846335 3.018277 2.007403 Rho 0.1431019E+00 |GRAD(Rho)| 0.6267433E-15 GRAD(Rho)x -0.5791537E-15 GRAD(Rho)y -0.7780506E-16 GRAD(Rho)z -0.2265711E-15 Laplacian 0.5593998E+00 (-1/4)Del**2(Rho)) -0.1398500E+00 Diamond 0.1067515E+01 Metallicity 0.4822808E+01 Ellipticity 0.3933445E-01 Gb(Abramov) 0.2056449E+00 Vb(Abramov) -0.2714398E+00 Hb(Abramov) -0.6579493E-01 Ex_ueg -0.5528140E-01 Ec_ueg -0.8003411E-02 Delta_ex -0.5934509E-01 Delta_ec 0.1428743E-01 Delta_et -0.1887626E+00 Pxc 0.6907230E+01 Qxc -0.4153656E+01 3,-1 175 3 -1 -0.549438 2.734403 -1.789636 Rho 0.1356500E+00 |GRAD(Rho)| 0.1450869E-14 GRAD(Rho)x 0.8855763E-15 GRAD(Rho)y -0.3043017E-15 GRAD(Rho)z -0.1108231E-14 Laplacian 0.5593300E+00 (-1/4)Del**2(Rho)) -0.1398325E+00 Diamond 0.9989525E+00 Metallicity 0.4412094E+01 Ellipticity 0.9322277E-02 Gb(Abramov) 0.1960474E+00 Vb(Abramov) -0.2522622E+00 Hb(Abramov) -0.5621486E-01 Ex_ueg -0.5147679E-01 Ec_ueg -0.7531336E-02 Delta_ex -0.5854661E-01 Delta_ec 0.1443225E-01 Delta_et -0.1890678E+00 Pxc 0.6835015E+01 Qxc -0.4056653E+01 3,-1 176 3 -1 0.077036 3.239788 3.215091 Rho 0.2245444E+00 |GRAD(Rho)| 0.1066064E-14 GRAD(Rho)x -0.3111389E-15 GRAD(Rho)y -0.8822153E-15 GRAD(Rho)z -0.5112555E-15 Laplacian 0.8304491E+00 (-1/4)Del**2(Rho)) -0.2076123E+00 Diamond 0.2711923E+01 Metallicity 0.6883412E+01 Ellipticity 0.4058549E-02 Gb(Abramov) 0.3765883E+00 Vb(Abramov) -0.5455644E+00 Hb(Abramov) -0.1689761E+00 Ex_ueg -0.1007986E+00 Ec_ueg -0.1337726E-01 Delta_ex -0.9861781E-01 Delta_ec 0.1871508E-01 Delta_et -0.2585383E+00 Pxc 0.7535075E+01 Qxc -0.5269431E+01 3,-1 177 3 -1 0.412217 -0.522521 0.456051 Rho 0.1810271E+00 |GRAD(Rho)| 0.8455776E-16 GRAD(Rho)x -0.7979728E-16 GRAD(Rho)y 0.3469447E-17 GRAD(Rho)z 0.2775558E-16 Laplacian 0.4736287E+00 (-1/4)Del**2(Rho)) -0.1184072E+00 Diamond 0.1222570E+01 Metallicity 0.8428454E+01 Ellipticity 0.1200224E-02 Gb(Abramov) 0.2452697E+00 Vb(Abramov) -0.3721322E+00 Hb(Abramov) -0.1268625E+00 Ex_ueg -0.7563275E-01 Ec_ueg -0.1045848E-01 Delta_ex -0.5345165E-01 Delta_ec 0.1172435E-01 Delta_et -0.1605132E+00 Pxc 0.7231718E+01 Qxc -0.4559027E+01 3,-1 178 3 -1 1.781340 -2.909387 -0.657270 Rho 0.1668156E+00 |GRAD(Rho)| 0.4675537E-15 GRAD(Rho)x -0.4208331E-15 GRAD(Rho)y -0.8867419E-16 GRAD(Rho)z -0.1834199E-15 Laplacian 0.6563606E+00 (-1/4)Del**2(Rho)) -0.1640902E+00 Diamond 0.1509883E+01 Metallicity 0.5307197E+01 Ellipticity 0.1344033E-01 Gb(Abramov) 0.2545366E+00 Vb(Abramov) -0.3449830E+00 Hb(Abramov) -0.9044642E-01 Ex_ueg -0.6782150E-01 Ec_ueg -0.9528508E-02 Delta_ex -0.7235447E-01 Delta_ec 0.1619295E-01 Delta_et -0.2184983E+00 Pxc 0.7117746E+01 Qxc -0.4468269E+01 3,-1 179 3 +1 2.170030 -1.509220 1.004502 Rho 0.2286840E-01 |GRAD(Rho)| 0.2970066E-15 GRAD(Rho)x 0.1041954E-15 GRAD(Rho)y -0.2019334E-15 GRAD(Rho)z -0.1912568E-15 Laplacian 0.8243577E-01 (-1/4)Del**2(Rho)) -0.2060894E-01 Diamond 0.8141682E-02 Metallicity 0.1540129E+01 Ellipticity -0.2389557E+01 Gb(Abramov) 0.1902937E-01 Vb(Abramov) -0.1744979E-01 Hb(Abramov) 0.1579576E-02 Ex_ueg -0.4794015E-02 Ec_ueg -0.9820019E-03 Delta_ex -0.4836113E-02 Delta_ec 0.1094109E-02 Delta_et -0.9537194E-02 Pxc 0.4881880E+01 Qxc -0.4420138E+01 3,+1 180 3 -1 1.955510 -3.125082 0.842753 Rho 0.1155932E+00 |GRAD(Rho)| 0.9706334E-12 GRAD(Rho)x 0.5056733E-12 GRAD(Rho)y 0.3230854E-12 GRAD(Rho)z -0.7629152E-12 Laplacian 0.4660594E+00 (-1/4)Del**2(Rho)) -0.1165149E+00 Diamond 0.7107199E+00 Metallicity 0.4055634E+01 Ellipticity 0.4178111E-02 Gb(Abramov) 0.1564335E+00 Vb(Abramov) -0.1963522E+00 Hb(Abramov) -0.3991865E-01 Ex_ueg -0.4158735E-01 Ec_ueg -0.6278948E-02 Delta_ex -0.4728189E-01 Delta_ec 0.1309433E-01 Delta_et -0.1679804E+00 Pxc 0.6623299E+01 Qxc -0.3610867E+01 3,-1 181 3 -1 2.999191 -2.091370 0.823767 Rho 0.8661593E-01 |GRAD(Rho)| 0.1047284E-13 GRAD(Rho)x -0.3485110E-14 GRAD(Rho)y -0.6517143E-14 GRAD(Rho)z -0.7420327E-14 Laplacian 0.3551539E+00 (-1/4)Del**2(Rho)) -0.8878847E-01 Diamond 0.3786366E+00 Metallicity 0.3289977E+01 Ellipticity 0.2360115E-01 Gb(Abramov) 0.1078777E+00 Vb(Abramov) -0.1269668E+00 Hb(Abramov) -0.1908918E-01 Ex_ueg -0.2830406E-01 Ec_ueg -0.4521698E-02 Delta_ex -0.3363409E-01 Delta_ec 0.1048571E-01 Delta_et -0.1266918E+00 Pxc 0.6259609E+01 Qxc -0.3207613E+01 3,-1 182 3 -1 3.028165 2.060676 -0.824469 Rho 0.1588500E+00 |GRAD(Rho)| 0.5402462E-15 GRAD(Rho)x -0.1512598E-15 GRAD(Rho)y 0.3779800E-15 GRAD(Rho)z 0.3551304E-15 Laplacian 0.6199916E+00 (-1/4)Del**2(Rho)) -0.1549979E+00 Diamond 0.1342901E+01 Metallicity 0.5178526E+01 Ellipticity 0.2884669E-01 Gb(Abramov) 0.2371087E+00 Vb(Abramov) -0.3192195E+00 Hb(Abramov) -0.8211081E-01 Ex_ueg -0.6353818E-01 Ec_ueg -0.9012429E-02 Delta_ex -0.6750147E-01 Delta_ec 0.1545585E-01 Delta_et -0.2072092E+00 Pxc 0.7050062E+01 Qxc -0.4367374E+01 3,-1 183 3 -1 3.175539 3.269373 0.096472 Rho 0.2260978E+00 |GRAD(Rho)| 0.1590001E-10 GRAD(Rho)x 0.1035539E-10 GRAD(Rho)y 0.1166920E-10 GRAD(Rho)z 0.3066953E-11 Laplacian 0.8270552E+00 (-1/4)Del**2(Rho)) -0.2067638E+00 Diamond 0.2729231E+01 Metallicity 0.6991534E+01 Ellipticity 0.1807990E-02 Gb(Abramov) 0.3787753E+00 Vb(Abramov) -0.5507867E+00 Hb(Abramov) -0.1720114E+00 Ex_ueg -0.1017295E+00 Ec_ueg -0.1348339E-01 Delta_ex -0.9842449E-01 Delta_ec 0.1866233E-01 Delta_et -0.2581479E+00 Pxc 0.7544800E+01 Qxc -0.5273967E+01 3,-1 184 3 -1 -3.203798 3.228900 -0.089865 Rho 0.2208949E+00 |GRAD(Rho)| 0.2601016E-14 GRAD(Rho)x 0.2334233E-14 GRAD(Rho)y -0.6472687E-16 GRAD(Rho)z -0.1145622E-14 Laplacian 0.8191621E+00 (-1/4)Del**2(Rho)) -0.2047905E+00 Diamond 0.2619355E+01 Metallicity 0.6790254E+01 Ellipticity 0.5338224E-02 Gb(Abramov) 0.3682903E+00 Vb(Abramov) -0.5317901E+00 Hb(Abramov) -0.1634998E+00 Ex_ueg -0.9862020E-01 Ec_ueg -0.1312844E-01 Delta_ex -0.9684483E-01 Delta_ec 0.1851046E-01 Delta_et -0.2553397E+00 Pxc 0.7511953E+01 Qxc -0.5231897E+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 79 140 115 110 134 133 125 177 118 123 124 127 154 175 136 138 132 113 128 137 114 174 176 151 170 178 181 180 162 148 164 153 182 171 183 101 81 87 80 102 184 100 173 98 172 93 64 91 60 95 72 90 61 54 74 94 71 97 62 144 161 159 166 155 169 158 167 156 163 160 168 117 116 69 103 152 142 145 107 108 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 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 27 52 53 53 2.440119 2.030946 2.023104 1.989553 1.972422 1.814739 1.710545 1.695207 1.723518 1.732633 2.370241 1.877468 1.955832 1.907137 1.988990 1.767849 2.398495 1.876524 1.965359 1.921918 1.945895 1.768461 2.474244 2.042659 1.883330 2.141073 2.023788 1.826720 2.467291 1.882020 1.944554 1.903267 1.965533 1.766074 2.392507 1.815069 1.966769 1.918835 2.032485 1.774843 2.352074 1.930833 1.906822 1.930972 1.971057 1.768688 2.380863 2.276272 2.058490 2.037195 1.816032 1.828957 2.415573 2.009141 1.926662 2.066269 2.048938 1.810368 2.443937 2.060387 2.094704 1.910788 1.980945 1.814343 2.481096 1.921992 1.966259 2.074955 2.092902 1.813450 3.342807 3.133626 3.243148 3.422219 1.020394 3.168682 1.663605 1.721196 1.018537 2.442000 2.031094 2.023313 1.989823 1.972708 1.814748 1.710556 1.695237 1.723538 1.732638 2.371945 1.877754 1.956296 1.907563 1.989482 1.767856 2.400349 1.876852 1.965735 1.922347 1.946421 1.768466 2.476125 2.042789 1.883400 2.141332 2.023995 1.826728 2.468923 1.882334 1.945022 1.903676 1.966074 1.766088 2.394058 1.815340 1.967147 1.919234 2.032928 1.774859 2.354195 1.931205 1.907169 1.931508 1.971935 1.768698 2.383437 2.276452 2.058665 2.037450 1.816053 1.828969 2.417461 2.009465 1.926890 2.066552 2.049181 1.810376 2.446183 2.060587 2.094931 1.911010 1.981204 1.814359 2.483118 1.922266 1.966826 2.075202 2.093161 1.813462 3.426461 3.136407 3.255273 3.425164 1.020457 3.169991 1.665765 1.722402 1.018642 29 29 27 28 26 24 21 23 24 21 29 24 24 26 27 23 32 26 28 27 24 25 29 25 23 25 24 24 29 24 26 24 24 24 30 24 26 26 29 22 30 25 28 24 27 24 30 29 28 27 24 28 31 26 27 27 26 25 30 27 26 25 25 24 29 25 25 28 26 23 37 35 35 37 19 33 26 25 20 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 Ta As W W Ta W W W Ta Ta Ta Ta 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 2.1394 2.4493 2.4040 2.4047 2.0427 2.3985 2.3744 2.3889 2.0587 2.1571 2.1378 2.1334 -1.0978 -1.0256 -1.1076 -1.1172 -0.9939 -1.0280 -0.9149 -0.9803 -0.8744 -0.9721 -0.9845 -1.0162 -0.9809 -0.9899 -0.9770 -1.0239 -1.0428 -1.0396 -1.0139 -1.0234 -1.0559 -1.0137 -1.0182 -0.9878 -0.8690 -1.0150 -1.0614 -1.0104 -0.9932 -0.9901 -0.8866 -0.8911 -1.0166 -0.8867 -0.9061 -0.8903 -1.0157 -0.9810 -0.9904 0.2840 0.3101 2.1273 0.8557 2.1130 2.1086 2.1547 2.1105 2.1162 2.1338 2.1504 2.1185 2.1269 2.1286 1.9385 1.9466 1.9363 1.9321 1.9260 1.9217 1.9420 1.9282 1.8673 1.9299 1.9287 1.9220 1.9272 1.9245 1.9273 1.9316 1.9272 1.9305 1.9334 1.9326 1.9256 1.9340 1.9323 1.9301 1.8699 1.9333 1.9243 1.9329 1.9332 1.9333 1.9504 1.9493 1.9294 1.9509 1.9474 1.9494 1.9293 1.9351 1.9334 0.5505 0.5360 6.0936 1.1540 6.1020 6.0981 6.1154 6.1030 6.1005 6.1148 6.0870 6.0876 6.0878 6.0957 5.1248 5.0436 5.1360 5.1495 5.0418 5.0816 4.9431 5.0249 4.9795 5.0155 5.0286 5.0701 5.0258 5.0380 5.0213 5.0673 5.0917 5.0822 5.0529 5.0637 5.1050 5.0533 5.0582 5.0341 4.9716 5.0545 5.1131 5.0492 5.0362 5.0329 4.9056 4.9113 5.0646 4.9049 4.9292 4.9106 5.0640 5.0215 5.0331 0.1655 0.1539 2.6049 10.5410 3.3512 3.3588 2.6537 3.3581 3.3791 3.3328 2.6711 2.6023 2.6133 2.6083 0.0345 0.0354 0.0353 0.0356 0.0261 0.0246 0.0298 0.0272 0.0277 0.0267 0.0272 0.0241 0.0279 0.0273 0.0284 0.0251 0.0239 0.0268 0.0276 0.0272 0.0252 0.0265 0.0276 0.0236 0.0275 0.0273 0.0240 0.0284 0.0238 0.0239 0.0306 0.0305 0.0226 0.0309 0.0296 0.0302 0.0225 0.0243 0.0239 0.0000 0.0000 14.0348 0.0000 14.0298 14.0299 14.0335 14.0299 14.0298 14.0298 14.0328 14.0346 14.0342 14.0341 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 Ta As W W Ta W W W Ta Ta Ta Ta 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 2.353941 2.310236 2.496750 2.492735 2.322910 2.492041 2.478466 2.510693 2.336467 2.352663 2.347741 2.347667 -1.095497 -1.033131 -1.089775 -1.096667 -1.031717 -1.069806 -0.979415 -1.017104 -0.740757 -1.015149 -1.010078 -1.065902 -1.011096 -1.028103 -1.006280 -0.908266 -1.091981 -1.041729 -1.034770 -1.042273 -1.085135 -1.028170 -1.035711 -1.079486 -0.710418 -1.028156 -1.099414 -1.018727 -1.100383 -1.097202 -0.945998 -0.951903 -1.140562 -0.944492 -0.971864 -0.950175 -1.123702 -1.082253 -1.096160 0.016819 0.040275 1.828410 1.750947 1.923262 1.920815 1.806559 1.920759 1.908269 1.954450 1.858944 1.831381 1.837011 1.855603 -0.697018 -0.664008 -0.693643 -0.698255 -0.789601 -0.846480 -0.765062 -0.779461 -0.923379 -0.778606 -0.762009 -0.831736 -0.746178 -0.768486 -0.745281 -0.818560 -0.950948 -0.869267 -0.875877 -0.893293 -0.925949 -0.859740 -0.885890 -1.026556 -0.915856 -0.872112 -0.937721 -0.852765 -1.062228 -1.043031 -0.878693 -0.883878 -1.106582 -0.875648 -0.904241 -0.873385 -1.090557 -1.035880 -1.053727 0.294479 0.290697 1.958377 1.675616 2.039111 2.037982 1.935320 2.037714 2.020343 2.063857 1.961033 1.956526 1.962280 1.969586 -0.780005 -0.745931 -0.777001 -0.782373 -0.880082 -0.932043 -0.820230 -0.860085 -0.922306 -0.858808 -0.852747 -0.914013 -0.831188 -0.874198 -0.829951 -0.945144 -0.983983 -0.901326 -0.912745 -0.926650 -0.963634 -0.899909 -0.913957 -1.013729 -0.894225 -0.907904 -0.989478 -0.891951 -1.031142 -1.030362 -0.844286 -0.847638 -1.077692 -0.839466 -0.869425 -0.848501 -1.083807 -1.008029 -1.026410 0.349162 0.345444 -1.18038053 9.28104430 -2.34784351 9.64590330 -34.31057999 24.68106296 -14.64455114 42.56135053 29.94631540 -8.25077054 -356.8685 417.6987 46.1116 -440.4456 -143.4041 -476.9080 Jun20-2024 10:49:42 Nodes: 1 Procs: 1 Jun20-2024 10:49:45 Nodes: 1 Procs: 1 0 Jun20-2024 10:49:48 Nodes: 1 Procs: 1 Jun20-2024 10:49:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:49:52 Nodes: 1 Procs: 1 Jun20-2024 10:49:54 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:49:57 Nodes: 1 Procs: 1 Jun20-2024 10:49:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 10:50:01 Nodes: 1 Procs: 1 Jun20-2024 10:50:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 10:50:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -11 -17.07054570 -17.35630195 -17.44824985 -17.46186773 -17.47557965 -17.48401342 -17.48842331 -17.49356560 -17.50108002 -17.50685986 -17.51432277 -17.51958090 -17.51942485 -17.52297636 -17.52378696 -17.52482131 -17.52509776 -17.52562369 -17.52576526 -17.52590047 -17.52597085 -17.52600369 -17.52601355 -17.52603982 -17.52605988 -17.52606014 -17.52605442 -17.52604358 -17.52604245 -17.52604566 GEOMETRY CONVERGED