ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:41:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.89 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 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:41:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 1.89 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 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 Jun19-2024 21:41:44 Nodes: 1 Procs: 1 Jun19-2024 21:41:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:41:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.46 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 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 Jun19-2024 21:41:44 Nodes: 1 Procs: 1 Jun19-2024 21:41:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:41:48 Nodes: 1 Procs: 1 Jun19-2024 21:41:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:41:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.97 0.06 1.67 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 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 Jun19-2024 21:41:44 Nodes: 1 Procs: 1 Jun19-2024 21:41:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:41:48 Nodes: 1 Procs: 1 Jun19-2024 21:41:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:41:56 Nodes: 1 Procs: 1 Jun19-2024 21:41:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:41:59 Hydrogen (TZP) c2-51 c2-51 c2-51 c2-51 c2-51 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.16 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 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 Jun19-2024 21:41:44 Nodes: 1 Procs: 1 Jun19-2024 21:41:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:41:48 Nodes: 1 Procs: 1 Jun19-2024 21:41:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:41:56 Nodes: 1 Procs: 1 Jun19-2024 21:41:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:41:59 Nodes: 1 Procs: 1 Jun19-2024 21:42:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:42:08 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2261.892799999999 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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 Jun19-2024 21:42:02 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 21:41:57 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 21:41:51 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 21:41:45 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 21:41:41 1 1 Hydrogen TZP 1 1 -14.59489265 0.21984031 0.00100000 F 0.08327208 0.00066667 F 0.21984031 0.08327208 0.25669039 0.01000000 F 0.05039439 0.00666667 F Cartesian 2261.892799999999 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-0.1456787E+01 Gb(Abramov) 0.1397731E-01 Vb(Abramov) -0.1090888E-01 Hb(Abramov) 0.3068431E-02 Ex_ueg -0.2727130E-02 Ec_ueg -0.5987918E-03 Delta_ex -0.3563356E-02 Delta_ec 0.8996638E-03 Delta_et -0.7107816E-02 Pxc 0.4554388E+01 Qxc -0.3960764E+01 3,+1 48 3 +1 1.657277 -0.723155 -0.008632 Rho 0.5822673E-02 |GRAD(Rho)| 0.6307297E-11 GRAD(Rho)x 0.4958776E-11 GRAD(Rho)y -0.1493174E-12 GRAD(Rho)z -0.3894900E-11 Laplacian 0.2195786E-01 (-1/4)Del**2(Rho)) -0.5489465E-02 Diamond 0.3558944E-03 Metallicity 0.5914170E+00 Ellipticity -0.1364724E+01 Gb(Abramov) 0.4200737E-02 Vb(Abramov) -0.2912009E-02 Hb(Abramov) 0.1288728E-02 Ex_ueg -0.7736566E-03 Ec_ueg -0.1824858E-03 Delta_ex -0.9180710E-03 Delta_ec 0.3225853E-03 Delta_et -0.1979947E-02 Pxc 0.4239545E+01 Qxc -0.2845979E+01 3,+1 49 3 -1 -1.931529 0.839537 -1.050931 Rho 0.8604579E-02 |GRAD(Rho)| 0.7053860E-15 GRAD(Rho)x 0.5159917E-15 GRAD(Rho)y -0.1775344E-15 GRAD(Rho)z 0.4469938E-15 Laplacian 0.3176373E-01 (-1/4)Del**2(Rho)) -0.7940932E-02 Diamond 0.1673534E-02 Metallicity 0.7838466E+00 Ellipticity 0.1394953E+00 Gb(Abramov) 0.6331367E-02 Vb(Abramov) -0.4721801E-02 Hb(Abramov) 0.1609565E-02 Ex_ueg -0.1302241E-02 Ec_ueg -0.3051850E-03 Delta_ex -0.1821798E-02 Delta_ec 0.1108482E-02 Delta_et -0.7040116E-02 Pxc 0.4267053E+01 Qxc -0.1643506E+01 3,-1 50 3 -1 -1.915655 0.932528 0.943516 Rho 0.6883809E-02 |GRAD(Rho)| 0.8218828E-17 GRAD(Rho)x -0.6153141E-17 GRAD(Rho)y 0.5000403E-17 GRAD(Rho)z -0.2164245E-17 Laplacian 0.2359072E-01 (-1/4)Del**2(Rho)) -0.5897681E-02 Diamond 0.8813700E-03 Metallicity 0.7276456E+00 Ellipticity 0.6279451E+00 Gb(Abramov) 0.4647024E-02 Vb(Abramov) -0.3396367E-02 Hb(Abramov) 0.1250657E-02 Ex_ueg -0.9671417E-03 Ec_ueg -0.2288603E-03 Delta_ex -0.1270878E-02 Delta_ec 0.7812031E-03 Delta_et -0.4653938E-02 Pxc 0.4225904E+01 Qxc -0.1626821E+01 3,-1 51 3 +1 -1.863817 0.461124 1.450748 Rho 0.5677220E-02 |GRAD(Rho)| 0.1749979E-15 GRAD(Rho)x -0.3057907E-16 GRAD(Rho)y 0.1647159E-15 GRAD(Rho)z 0.5057526E-16 Laplacian 0.1984438E-01 (-1/4)Del**2(Rho)) -0.4961095E-02 Diamond 0.3900363E-03 Metallicity 0.6273864E+00 Ellipticity -0.1840717E+01 Gb(Abramov) 0.3826151E-02 Vb(Abramov) -0.2691206E-02 Hb(Abramov) 0.1134944E-02 Ex_ueg -0.7479961E-03 Ec_ueg -0.1761717E-03 Delta_ex -0.8867638E-03 Delta_ec 0.4024311E-03 Delta_et -0.2358896E-02 Pxc 0.4245835E+01 Qxc -0.2203517E+01 3,+1 52 3 +1 -1.529334 1.071095 0.898799 Rho 0.6633292E-02 |GRAD(Rho)| 0.1083856E-15 GRAD(Rho)x 0.4593497E-16 GRAD(Rho)y 0.9185589E-16 GRAD(Rho)z 0.3463974E-16 Laplacian 0.2248232E-01 (-1/4)Del**2(Rho)) -0.5620580E-02 Diamond 0.5557198E-03 Metallicity 0.7177732E+00 Ellipticity -0.2265457E+01 Gb(Abramov) 0.4419437E-02 Vb(Abramov) -0.3218294E-02 Hb(Abramov) 0.1201143E-02 Ex_ueg -0.9205002E-03 Ec_ueg -0.2178633E-03 Delta_ex -0.1047291E-02 Delta_ec 0.4677513E-03 Delta_et -0.2857691E-02 Pxc 0.4225128E+01 Qxc -0.2238992E+01 3,+1 53 3 +1 -1.229183 1.362515 2.702882 Rho 0.1405737E-01 |GRAD(Rho)| 0.1479349E-15 GRAD(Rho)x -0.1130049E-15 GRAD(Rho)y 0.4899615E-16 GRAD(Rho)z -0.8193902E-16 Laplacian 0.5940667E-01 (-1/4)Del**2(Rho)) -0.1485167E-01 Diamond 0.2813398E-02 Metallicity 0.9497687E+00 Ellipticity -0.1446194E+01 Gb(Abramov) 0.1225205E-01 Vb(Abramov) -0.9652440E-02 Hb(Abramov) 0.2599615E-02 Ex_ueg -0.2505669E-02 Ec_ueg -0.5553581E-03 Delta_ex -0.3011472E-02 Delta_ec 0.7106313E-03 Delta_et -0.5579284E-02 Pxc 0.4511807E+01 Qxc -0.4237742E+01 3,+1 54 3 -1 -1.987528 0.561454 2.767508 Rho 0.3007548E+00 |GRAD(Rho)| 0.1186540E-10 GRAD(Rho)x -0.7858390E-11 GRAD(Rho)y 0.7956027E-11 GRAD(Rho)z -0.3966755E-11 Laplacian -0.1431602E+01 (-1/4)Del**2(Rho)) 0.3579004E+00 Diamond 0.4815967E+01 Metallicity -0.6498483E+01 Ellipticity 0.2923991E-02 Gb(Abramov) 0.1490347E+00 Vb(Abramov) -0.6559698E+00 Hb(Abramov) -0.5069351E+00 Ex_ueg -0.1488225E+00 Ec_ueg -0.1874009E-01 Delta_ex 0.1384475E+00 Delta_ec 0.5116756E-01 Delta_et -0.1179748E+01 Pxc 0.7941397E+01 Qxc 0.2705767E+01 3,-1 55 3 -1 -1.958153 0.780164 -2.594255 Rho 0.3947494E-01 |GRAD(Rho)| 0.8264740E-16 GRAD(Rho)x -0.2773634E-17 GRAD(Rho)y -0.7674147E-16 GRAD(Rho)z -0.3055562E-16 Laplacian 0.1151047E+00 (-1/4)Del**2(Rho)) -0.2877618E-01 Diamond 0.6235969E-01 Metallicity 0.2739824E+01 Ellipticity 0.8203760E-02 Gb(Abramov) 0.3232439E-01 Vb(Abramov) -0.3587261E-01 Hb(Abramov) -0.3548217E-02 Ex_ueg -0.9926903E-02 Ec_ueg -0.1841933E-02 Delta_ex -0.1011578E-01 Delta_ec 0.5549354E-02 Delta_et -0.5517879E-01 Pxc 0.5389394E+01 Qxc -0.1822875E+01 3,-1 56 3 +3 -1.043538 -2.187012 -0.112260 Rho 0.3110975E-02 |GRAD(Rho)| 0.4789994E-12 GRAD(Rho)x -0.3775954E-12 GRAD(Rho)y -0.1151705E-12 GRAD(Rho)z -0.2712893E-12 Laplacian 0.1151602E-01 (-1/4)Del**2(Rho)) -0.2879005E-02 Diamond 0.6072643E-04 Metallicity 0.3967087E+00 Ellipticity -0.8924333E+00 Gb(Abramov) 0.2109691E-02 Vb(Abramov) -0.1340377E-02 Hb(Abramov) 0.7693139E-03 Ex_ueg -0.3354134E-03 Ec_ueg -0.6654871E-04 Delta_ex -0.3820723E-03 Delta_ec 0.1088494E-03 Delta_et -0.6176020E-03 Pxc 0.5040119E+01 Qxc -0.3510100E+01 3,+3 57 3 -1 -1.699306 -0.146602 -1.664398 Rho 0.6823204E-02 |GRAD(Rho)| 0.8677736E-17 GRAD(Rho)x -0.2786063E-17 GRAD(Rho)y -0.3096165E-17 GRAD(Rho)z 0.7612799E-17 Laplacian 0.2403010E-01 (-1/4)Del**2(Rho)) -0.6007524E-02 Diamond 0.8856781E-03 Metallicity 0.7038901E+00 Ellipticity 0.2397976E+00 Gb(Abramov) 0.4709789E-02 Vb(Abramov) -0.3412054E-02 Hb(Abramov) 0.1297735E-02 Ex_ueg -0.9558054E-03 Ec_ueg -0.2261972E-03 Delta_ex -0.1291368E-02 Delta_ec 0.7941328E-03 Delta_et -0.4719026E-02 Pxc 0.4225541E+01 Qxc -0.1626136E+01 3,-1 58 3 -1 -2.108002 1.230536 2.378938 Rho 0.4780795E-01 |GRAD(Rho)| 0.4492824E-14 GRAD(Rho)x 0.2599993E-14 GRAD(Rho)y 0.2120198E-14 GRAD(Rho)z -0.2988355E-14 Laplacian 0.1230156E+00 (-1/4)Del**2(Rho)) -0.3075390E-01 Diamond 0.8803165E-01 Metallicity 0.3527658E+01 Ellipticity 0.1391622E-01 Gb(Abramov) 0.3858414E-01 Vb(Abramov) -0.4641438E-01 Hb(Abramov) -0.7830241E-02 Ex_ueg -0.1281500E-01 Ec_ueg -0.2294068E-02 Delta_ex -0.1135556E-01 Delta_ec 0.6064957E-02 Delta_et -0.6379946E-01 Pxc 0.5586145E+01 Qxc -0.1872322E+01 3,-1 59 3 -1 -1.150165 -3.183138 -0.088199 Rho 0.5879000E-02 |GRAD(Rho)| 0.5581274E-15 GRAD(Rho)x 0.2784449E-15 GRAD(Rho)y -0.8099679E-16 GRAD(Rho)z 0.4768796E-15 Laplacian 0.2293004E-01 (-1/4)Del**2(Rho)) -0.5732510E-02 Diamond 0.7858223E-03 Metallicity 0.5755029E+00 Ellipticity 0.2280860E+01 Gb(Abramov) 0.4371519E-02 Vb(Abramov) -0.3010528E-02 Hb(Abramov) 0.1360991E-02 Ex_ueg -0.7836516E-03 Ec_ueg -0.1849337E-03 Delta_ex -0.1267196E-02 Delta_ec 0.8836358E-03 Delta_et -0.4973699E-02 Pxc 0.4237473E+01 Qxc -0.1434070E+01 3,-1 60 3 +1 -1.332066 -0.098717 1.634883 Rho 0.5894743E-02 |GRAD(Rho)| 0.1128845E-16 GRAD(Rho)x -0.2916434E-17 GRAD(Rho)y 0.2065853E-17 GRAD(Rho)z 0.1070774E-16 Laplacian 0.2096527E-01 (-1/4)Del**2(Rho)) -0.5241319E-02 Diamond 0.4596598E-03 Metallicity 0.6322480E+00 Ellipticity -0.2070990E+01 Gb(Abramov) 0.4046515E-02 Vb(Abramov) -0.2851711E-02 Hb(Abramov) 0.1194804E-02 Ex_ueg -0.7864509E-03 Ec_ueg -0.1856182E-03 Delta_ex -0.9642825E-03 Delta_ec 0.4599404E-03 Delta_et -0.2703435E-02 Pxc 0.4236928E+01 Qxc -0.2096538E+01 3,+1 61 3 -1 -1.737361 -0.037115 1.580646 Rho 0.6125000E-02 |GRAD(Rho)| 0.7841981E-15 GRAD(Rho)x 0.5559059E-15 GRAD(Rho)y -0.1264094E-15 GRAD(Rho)z -0.5384755E-15 Laplacian 0.2172020E-01 (-1/4)Del**2(Rho)) -0.5430051E-02 Diamond 0.6909410E-03 Metallicity 0.6505182E+00 Ellipticity 0.2886829E+00 Gb(Abramov) 0.4208758E-02 Vb(Abramov) -0.2987466E-02 Hb(Abramov) 0.1221292E-02 Ex_ueg -0.8276751E-03 Ec_ueg -0.1956428E-03 Delta_ex -0.1141720E-02 Delta_ec 0.7161202E-03 Delta_et -0.4120360E-02 Pxc 0.4230541E+01 Qxc -0.1594313E+01 3,-1 62 3 +1 -1.808388 0.250051 -1.610995 Rho 0.6462641E-02 |GRAD(Rho)| 0.3032280E-15 GRAD(Rho)x 0.1470715E-15 GRAD(Rho)y 0.2650965E-15 GRAD(Rho)z 0.6405294E-17 Laplacian 0.2265539E-01 (-1/4)Del**2(Rho)) -0.5663848E-02 Diamond 0.5092890E-03 Metallicity 0.6820115E+00 Ellipticity -0.1830940E+01 Gb(Abramov) 0.4419700E-02 Vb(Abramov) -0.3175552E-02 Hb(Abramov) 0.1244148E-02 Ex_ueg -0.8890615E-03 Ec_ueg -0.2103892E-03 Delta_ex -0.1028481E-02 Delta_ec 0.4344717E-03 Delta_et -0.2656627E-02 Pxc 0.4225793E+01 Qxc -0.2367199E+01 3,+1 63 3 +3 -0.932026 0.737405 1.674838 Rho 0.4407825E-02 |GRAD(Rho)| 0.1020142E-14 GRAD(Rho)x 0.6747521E-15 GRAD(Rho)y 0.5091013E-15 GRAD(Rho)z 0.5711530E-15 Laplacian 0.1560773E-01 (-1/4)Del**2(Rho)) -0.3901933E-02 Diamond 0.1095149E-03 Metallicity 0.5231754E+00 Ellipticity -0.5236307E+00 Gb(Abramov) 0.2941521E-02 Vb(Abramov) -0.1981109E-02 Hb(Abramov) 0.9604117E-03 Ex_ueg -0.5337659E-03 Ec_ueg -0.1215188E-03 Delta_ex -0.5403080E-03 Delta_ec 0.1036385E-03 Delta_et -0.7005832E-03 Pxc 0.4392456E+01 Qxc -0.5213392E+01 3,+3 64 3 +1 -1.145767 -1.672801 0.788164 Rho 0.6264243E-02 |GRAD(Rho)| 0.5752290E-17 GRAD(Rho)x -0.2377877E-17 GRAD(Rho)y 0.4993426E-17 GRAD(Rho)z -0.1581214E-17 Laplacian 0.2257162E-01 (-1/4)Del**2(Rho)) -0.5642904E-02 Diamond 0.6158233E-03 Metallicity 0.6498774E+00 Ellipticity -0.3016869E+01 Gb(Abramov) 0.4373136E-02 Vb(Abramov) -0.3103367E-02 Hb(Abramov) 0.1269769E-02 Ex_ueg -0.8528575E-03 Ec_ueg -0.2017175E-03 Delta_ex -0.1106287E-02 Delta_ec 0.5916692E-03 Delta_et -0.3484403E-02 Pxc 0.4227979E+01 Qxc -0.1869773E+01 3,+1 65 3 -1 -1.397597 -1.728749 0.746273 Rho 0.6334083E-02 |GRAD(Rho)| 0.1886152E-17 GRAD(Rho)x -0.2725656E-18 GRAD(Rho)y 0.1835411E-17 GRAD(Rho)z 0.3384409E-18 Laplacian 0.2262019E-01 (-1/4)Del**2(Rho)) -0.5655047E-02 Diamond 0.8179135E-03 Metallicity 0.6605766E+00 Ellipticity 0.1614908E+01 Gb(Abramov) 0.4392630E-02 Vb(Abramov) -0.3130213E-02 Hb(Abramov) 0.1262417E-02 Ex_ueg -0.8655591E-03 Ec_ueg -0.2047680E-03 Delta_ex -0.1240978E-02 Delta_ec 0.8245196E-03 Delta_et -0.4762758E-02 Pxc 0.4227023E+01 Qxc -0.1505092E+01 3,-1 66 3 +1 -1.026841 -3.182240 -0.083778 Rho 0.5867846E-02 |GRAD(Rho)| 0.4847446E-17 GRAD(Rho)x -0.4145593E-17 GRAD(Rho)y -0.8291100E-18 GRAD(Rho)z -0.2371576E-17 Laplacian 0.2411088E-01 (-1/4)Del**2(Rho)) -0.6027721E-02 Diamond 0.7092608E-03 Metallicity 0.5455877E+00 Ellipticity -0.3680203E+01 Gb(Abramov) 0.4566589E-02 Vb(Abramov) -0.3105457E-02 Hb(Abramov) 0.1461132E-02 Ex_ueg -0.7816698E-03 Ec_ueg -0.1844488E-03 Delta_ex -0.1245782E-02 Delta_ec 0.7752262E-03 Delta_et -0.4410749E-02 Pxc 0.4237868E+01 Qxc -0.1606992E+01 3,+1 67 3 +3 -0.949844 0.688513 -1.664702 Rho 0.4785939E-02 |GRAD(Rho)| 0.7947233E-14 GRAD(Rho)x 0.5625602E-14 GRAD(Rho)y -0.5514181E-14 GRAD(Rho)z -0.1051153E-14 Laplacian 0.1815098E-01 (-1/4)Del**2(Rho)) -0.4537744E-02 Diamond 0.1425018E-03 Metallicity 0.5160104E+00 Ellipticity -0.4419406E+00 Gb(Abramov) 0.3415416E-02 Vb(Abramov) -0.2293089E-02 Hb(Abramov) 0.1122327E-02 Ex_ueg -0.5956730E-03 Ec_ueg -0.1377125E-03 Delta_ex -0.6422997E-03 Delta_ec 0.1205870E-03 Delta_et -0.8295005E-03 Pxc 0.4325481E+01 Qxc -0.5326442E+01 3,+3 68 3 +1 -1.376348 1.108551 -0.920059 Rho 0.7416264E-02 |GRAD(Rho)| 0.6962220E-13 GRAD(Rho)x 0.2732117E-13 GRAD(Rho)y -0.4927473E-13 GRAD(Rho)z 0.4089994E-13 Laplacian 0.2720974E-01 (-1/4)Del**2(Rho)) -0.6802434E-02 Diamond 0.7130839E-03 Metallicity 0.7142728E+00 Ellipticity -0.1749094E+01 Gb(Abramov) 0.5344755E-02 Vb(Abramov) -0.3887076E-02 Hb(Abramov) 0.1457679E-02 Ex_ueg -0.1068149E-02 Ec_ueg -0.2523319E-03 Delta_ex -0.1262321E-02 Delta_ec 0.4984091E-03 Delta_et -0.3181003E-02 Pxc 0.4233112E+01 Qxc -0.2532699E+01 3,+1 69 3 -1 0.059078 0.836979 -3.274924 Rho 0.1377586E+00 |GRAD(Rho)| 0.2309749E-09 GRAD(Rho)x 0.3145127E-10 GRAD(Rho)y 0.2231004E-09 GRAD(Rho)z -0.5085699E-10 Laplacian 0.5642153E+00 (-1/4)Del**2(Rho)) -0.1410538E+00 Diamond 0.1034023E+01 Metallicity 0.4487794E+01 Ellipticity 0.1030483E-01 Gb(Abramov) 0.1995393E+00 Vb(Abramov) -0.2580248E+00 Hb(Abramov) -0.5848548E-01 Ex_ueg -0.5254645E-01 Ec_ueg -0.7664555E-02 Delta_ex -0.5936356E-01 Delta_ec 0.1465325E-01 Delta_et -0.1927221E+00 Pxc 0.6855773E+01 Qxc -0.4051223E+01 3,-1 70 3 -1 -1.365814 2.602614 -1.810379 Rho 0.1294167E+00 |GRAD(Rho)| 0.3723241E-15 GRAD(Rho)x -0.2834918E-15 GRAD(Rho)y -0.2413163E-15 GRAD(Rho)z 0.4908556E-17 Laplacian 0.4931906E+00 (-1/4)Del**2(Rho)) -0.1232976E+00 Diamond 0.8473734E+00 Metallicity 0.4626458E+01 Ellipticity 0.1068624E+00 Gb(Abramov) 0.1772703E+00 Vb(Abramov) -0.2312430E+00 Hb(Abramov) -0.5397269E-01 Ex_ueg -0.4834727E-01 Ec_ueg -0.7139212E-02 Delta_ex -0.5122025E-01 Delta_ec 0.1319437E-01 Delta_et -0.1721774E+00 Pxc 0.6772073E+01 Qxc -0.3881978E+01 3,-1 71 3 -1 -1.520388 2.621309 1.812318 Rho 0.1778797E+00 |GRAD(Rho)| 0.2421812E-13 GRAD(Rho)x 0.2036202E-13 GRAD(Rho)y 0.1307190E-13 GRAD(Rho)z 0.1015340E-14 Laplacian 0.7090716E+00 (-1/4)Del**2(Rho)) -0.1772679E+00 Diamond 0.1752669E+01 Metallicity 0.5467644E+01 Ellipticity 0.1905974E-01 Gb(Abramov) 0.2797182E+00 Vb(Abramov) -0.3821686E+00 Hb(Abramov) -0.1024503E+00 Ex_ueg -0.7388453E-01 Ec_ueg -0.1025151E-01 Delta_ex -0.7935849E-01 Delta_ec 0.1707321E-01 Delta_et -0.2316753E+00 Pxc 0.7207186E+01 Qxc -0.4648128E+01 3,-1 72 3 +3 1.776918 0.264140 0.028518 Rho 0.3575523E-02 |GRAD(Rho)| 0.1540392E-12 GRAD(Rho)x -0.1213219E-12 GRAD(Rho)y 0.9468843E-13 GRAD(Rho)z 0.6570403E-14 Laplacian 0.1333293E-01 (-1/4)Del**2(Rho)) -0.3333234E-02 Diamond 0.6545021E-04 Metallicity 0.4321024E+00 Ellipticity -0.1817251E+00 Gb(Abramov) 0.2462206E-02 Vb(Abramov) -0.1591177E-02 Hb(Abramov) 0.8710282E-03 Ex_ueg -0.4038045E-03 Ec_ueg -0.8613641E-04 Delta_ex -0.4296524E-03 Delta_ec 0.7570546E-04 Delta_et -0.5140635E-03 Pxc 0.4687965E+01 Qxc -0.5675315E+01 3,+3 73 3 +3 1.356962 -1.347729 -2.714662 Rho 0.1188765E-01 |GRAD(Rho)| 0.4125568E-15 GRAD(Rho)x -0.1988686E-15 GRAD(Rho)y 0.1327727E-15 GRAD(Rho)z 0.3361931E-15 Laplacian 0.5513178E-01 (-1/4)Del**2(Rho)) -0.1378295E-01 Diamond 0.1232425E-02 Metallicity 0.7739344E+00 Ellipticity -0.6903210E+00 Gb(Abramov) 0.1096648E-01 Vb(Abramov) -0.8150014E-02 Hb(Abramov) 0.2816466E-02 Ex_ueg -0.2003762E-02 Ec_ueg -0.4543848E-03 Delta_ex -0.2425732E-02 Delta_ec 0.2201138E-03 Delta_et -0.2029365E-02 Pxc 0.4409835E+01 Qxc -0.1102035E+02 3,+3 74 3 +1 -1.298768 -0.187147 -1.680896 Rho 0.6543241E-02 |GRAD(Rho)| 0.6933688E-16 GRAD(Rho)x 0.6450688E-16 GRAD(Rho)y -0.1456017E-16 GRAD(Rho)z 0.2084388E-16 Laplacian 0.2357215E-01 (-1/4)Del**2(Rho)) -0.5893037E-02 Diamond 0.5727794E-03 Metallicity 0.6691686E+00 Ellipticity -0.1975907E+01 Gb(Abramov) 0.4585931E-02 Vb(Abramov) -0.3278824E-02 Hb(Abramov) 0.1307106E-02 Ex_ueg -0.9038762E-03 Ec_ueg -0.2139176E-03 Delta_ex -0.1095172E-02 Delta_ec 0.4913402E-03 Delta_et -0.2989700E-02 Pxc 0.4225349E+01 Qxc -0.2228949E+01 3,+1 75 3 +1 1.364611 0.685012 -0.869371 Rho 0.6489218E-02 |GRAD(Rho)| 0.9267800E-17 GRAD(Rho)x 0.5705974E-17 GRAD(Rho)y 0.6824438E-17 GRAD(Rho)z 0.2600198E-17 Laplacian 0.2511894E-01 (-1/4)Del**2(Rho)) -0.6279734E-02 Diamond 0.4624439E-03 Metallicity 0.6193448E+00 Ellipticity -0.1358003E+01 Gb(Abramov) 0.4834710E-02 Vb(Abramov) -0.3389685E-02 Hb(Abramov) 0.1445025E-02 Ex_ueg -0.8939396E-03 Ec_ueg -0.2115523E-03 Delta_ex -0.1072286E-02 Delta_ec 0.3583206E-03 Delta_et -0.2272316E-02 Pxc 0.4225620E+01 Qxc -0.2992532E+01 3,+1 76 3 -1 1.089753 -0.113070 -3.553403 Rho 0.1070566E+00 |GRAD(Rho)| 0.3375667E-15 GRAD(Rho)x -0.3361840E-15 GRAD(Rho)y -0.1457955E-16 GRAD(Rho)z 0.2681452E-16 Laplacian 0.4314950E+00 (-1/4)Del**2(Rho)) -0.1078737E+00 Diamond 0.5778247E+00 Metallicity 0.3854722E+01 Ellipticity 0.2690786E-01 Gb(Abramov) 0.1412197E+00 Vb(Abramov) -0.1745657E+00 Hb(Abramov) -0.3334596E-01 Ex_ueg -0.3754363E-01 Ec_ueg -0.5754462E-02 Delta_ex -0.4265120E-01 Delta_ec 0.1171645E-01 Delta_et -0.1472986E+00 Pxc 0.6524264E+01 Qxc -0.3640285E+01 3,-1 77 3 -1 -0.939930 -0.142900 -3.432930 Rho 0.2033013E+00 |GRAD(Rho)| 0.1447904E-15 GRAD(Rho)x -0.1021861E-15 GRAD(Rho)y 0.2316635E-17 GRAD(Rho)z -0.1025520E-15 Laplacian 0.7973689E+00 (-1/4)Del**2(Rho)) -0.1993422E+00 Diamond 0.2287609E+01 Metallicity 0.6074644E+01 Ellipticity 0.1784823E-01 Gb(Abramov) 0.3347170E+00 Vb(Abramov) -0.4700918E+00 Hb(Abramov) -0.1353748E+00 Ex_ueg -0.8828874E-01 Ec_ueg -0.1193924E-01 Delta_ex -0.9214321E-01 Delta_ec 0.1820725E-01 Delta_et -0.2489662E+00 Pxc 0.7394834E+01 Qxc -0.5060798E+01 3,-1 78 3 +1 0.088864 0.891019 -1.566978 Rho 0.8126658E-02 |GRAD(Rho)| 0.5035753E-14 GRAD(Rho)x 0.2691642E-14 GRAD(Rho)y -0.4154962E-14 GRAD(Rho)z 0.9220410E-15 Laplacian 0.3217803E-01 (-1/4)Del**2(Rho)) -0.8044509E-02 Diamond 0.7787983E-03 Metallicity 0.7034614E+00 Ellipticity -0.1380315E+01 Gb(Abramov) 0.6306173E-02 Vb(Abramov) -0.4567837E-02 Hb(Abramov) 0.1738336E-02 Ex_ueg -0.1206705E-02 Ec_ueg -0.2838515E-03 Delta_ex -0.1440209E-02 Delta_ec 0.4368259E-03 Delta_et -0.2955653E-02 Pxc 0.4251183E+01 Qxc -0.3296987E+01 3,+1 79 3 +1 -1.257193 -2.214997 -0.122976 Rho 0.3125395E-02 |GRAD(Rho)| 0.7223696E-16 GRAD(Rho)x 0.1689637E-17 GRAD(Rho)y 0.7220183E-16 GRAD(Rho)z -0.1489450E-17 Laplacian 0.1117781E-01 (-1/4)Del**2(Rho)) -0.2794452E-02 Diamond 0.6875657E-04 Metallicity 0.4118744E+00 Ellipticity -0.1091239E+01 Gb(Abramov) 0.2054795E-02 Vb(Abramov) -0.1315138E-02 Hb(Abramov) 0.7396567E-03 Ex_ueg -0.3374880E-03 Ec_ueg -0.6715498E-04 Delta_ex -0.3876811E-03 Delta_ec 0.1349485E-03 Delta_et -0.7260662E-03 Pxc 0.5025510E+01 Qxc -0.2872808E+01 3,+1 80 3 -1 1.464335 -2.728846 2.017227 Rho 0.1109299E+00 |GRAD(Rho)| 0.7991285E-16 GRAD(Rho)x 0.4762358E-16 GRAD(Rho)y -0.2226003E-16 GRAD(Rho)z 0.6018762E-16 Laplacian 0.4489412E+00 (-1/4)Del**2(Rho)) -0.1122353E+00 Diamond 0.6248116E+00 Metallicity 0.3931014E+01 Ellipticity 0.1742190E-01 Gb(Abramov) 0.1483566E+00 Vb(Abramov) -0.1844779E+00 Hb(Abramov) -0.3612133E-01 Ex_ueg -0.3936556E-01 Ec_ueg -0.5991773E-02 Delta_ex -0.4470995E-01 Delta_ec 0.1202095E-01 Delta_et -0.1520222E+00 Pxc 0.6569935E+01 Qxc -0.3719335E+01 3,-1 81 3 +1 0.497526 -1.727307 0.012648 Rho 0.8806451E-02 |GRAD(Rho)| 0.1139922E-16 GRAD(Rho)x 0.4245011E-17 GRAD(Rho)y -0.5426219E-17 GRAD(Rho)z -0.9081753E-17 Laplacian 0.3509677E-01 (-1/4)Del**2(Rho)) -0.8774192E-02 Diamond 0.9585940E-03 Metallicity 0.7373623E+00 Ellipticity -0.1416005E+01 Gb(Abramov) 0.6927754E-02 Vb(Abramov) -0.5081317E-02 Hb(Abramov) 0.1846438E-02 Ex_ueg -0.1343135E-02 Ec_ueg -0.3142267E-03 Delta_ex -0.1608001E-02 Delta_ec 0.4848990E-03 Delta_et -0.3341758E-02 Pxc 0.4274413E+01 Qxc -0.3316157E+01 3,+1 82 3 -1 -0.246815 2.305100 0.877008 Rho 0.4075347E-01 |GRAD(Rho)| 0.1781230E-15 GRAD(Rho)x 0.6364542E-16 GRAD(Rho)y -0.8520093E-16 GRAD(Rho)z -0.1428911E-15 Laplacian 0.1642735E+00 (-1/4)Del**2(Rho)) -0.4106839E-01 Diamond 0.6756768E-01 Metallicity 0.2024509E+01 Ellipticity 0.2335917E-01 Gb(Abramov) 0.4123615E-01 Vb(Abramov) -0.4140391E-01 Hb(Abramov) -0.1677606E-03 Ex_ueg -0.1035789E-01 Ec_ueg -0.1910526E-02 Delta_ex -0.1310309E-01 Delta_ec 0.5357028E-02 Delta_et -0.5356584E-01 Pxc 0.5421483E+01 Qxc -0.2445963E+01 3,-1 83 3 +1 -0.458399 2.757813 0.299491 Rho 0.2404430E-01 |GRAD(Rho)| 0.6534493E-16 GRAD(Rho)x -0.3428869E-16 GRAD(Rho)y 0.5545305E-16 GRAD(Rho)z -0.4382317E-17 Laplacian 0.8937880E-01 (-1/4)Del**2(Rho)) -0.2234470E-01 Diamond 0.8936690E-02 Metallicity 0.1544302E+01 Ellipticity -0.2071330E+01 Gb(Abramov) 0.2064763E-01 Vb(Abramov) -0.1895055E-01 Hb(Abramov) 0.1697072E-02 Ex_ueg -0.5125481E-02 Ec_ueg -0.1040718E-02 Delta_ex -0.5256285E-02 Delta_ec 0.1079098E-02 Delta_et -0.9548019E-02 Pxc 0.4924949E+01 Qxc -0.4870999E+01 3,+1 84 3 +3 1.146318 1.149001 1.670516 Rho 0.3553648E-02 |GRAD(Rho)| 0.1757083E-16 GRAD(Rho)x 0.7391852E-17 GRAD(Rho)y 0.1556694E-16 GRAD(Rho)z 0.3430031E-17 Laplacian 0.1364684E-01 (-1/4)Del**2(Rho)) -0.3411709E-02 Diamond 0.7444166E-04 Metallicity 0.4178674E+00 Ellipticity -0.1532088E+00 Gb(Abramov) 0.2512080E-02 Vb(Abramov) -0.1612450E-02 Hb(Abramov) 0.8996294E-03 Ex_ueg -0.4005139E-03 Ec_ueg -0.8521144E-04 Delta_ex -0.4507747E-03 Delta_ec 0.9841585E-04 Delta_et -0.6193685E-03 Pxc 0.4700237E+01 Qxc -0.4580305E+01 3,+3 85 3 -1 1.761730 -0.665958 -1.644128 Rho 0.3240027E-01 |GRAD(Rho)| 0.1064058E-09 GRAD(Rho)x 0.1038778E-09 GRAD(Rho)y 0.7597115E-11 GRAD(Rho)z -0.2176873E-10 Laplacian 0.1197512E+00 (-1/4)Del**2(Rho)) -0.2993780E-01 Diamond 0.3160323E-01 Metallicity 0.1894877E+01 Ellipticity 0.5434651E-01 Gb(Abramov) 0.2941327E-01 Vb(Abramov) -0.2888875E-01 Hb(Abramov) 0.5245258E-03 Ex_ueg -0.7628688E-02 Ec_ueg -0.1468068E-02 Delta_ex -0.8694744E-02 Delta_ec 0.3296658E-02 Delta_et -0.3093482E-01 Pxc 0.5196415E+01 Qxc -0.2637442E+01 3,-1 86 3 -1 -0.898032 -0.022542 3.458992 Rho 0.1211610E+00 |GRAD(Rho)| 0.1944361E-13 GRAD(Rho)x -0.6567446E-14 GRAD(Rho)y -0.1239078E-14 GRAD(Rho)z -0.1825890E-13 Laplacian 0.4772180E+00 (-1/4)Del**2(Rho)) -0.1193045E+00 Diamond 0.7759016E+00 Metallicity 0.4283853E+01 Ellipticity 0.1031065E+00 Gb(Abramov) 0.1647168E+00 Vb(Abramov) -0.2101292E+00 Hb(Abramov) -0.4541233E-01 Ex_ueg -0.4427946E-01 Ec_ueg -0.6623863E-02 Delta_ex -0.4903093E-01 Delta_ec 0.1340165E-01 Delta_et -0.1736339E+00 Pxc 0.6684840E+01 Qxc -0.3658573E+01 3,-1 87 3 -1 -1.100089 -0.223582 -0.027803 Rho 0.2068637E+00 |GRAD(Rho)| 0.1359780E-13 GRAD(Rho)x 0.1340594E-13 GRAD(Rho)y 0.2270753E-14 GRAD(Rho)z 0.1565588E-15 Laplacian 0.6032834E+00 (-1/4)Del**2(Rho)) -0.1508208E+00 Diamond 0.1735120E+01 Metallicity 0.8264800E+01 Ellipticity 0.2454601E-02 Gb(Abramov) 0.3082979E+00 Vb(Abramov) -0.4657750E+00 Hb(Abramov) -0.1574771E+00 Ex_ueg -0.9035749E-01 Ec_ueg -0.1217865E-01 Delta_ex -0.6981790E-01 Delta_ec 0.1333587E-01 Delta_et -0.1811921E+00 Pxc 0.7419335E+01 Qxc -0.5235348E+01 3,-1 88 3 -1 -0.668979 3.843351 -2.380985 Rho 0.2199656E+00 |GRAD(Rho)| 0.7847645E-14 GRAD(Rho)x 0.7369688E-14 GRAD(Rho)y 0.1538158E-14 GRAD(Rho)z 0.2215242E-14 Laplacian 0.8177477E+00 (-1/4)Del**2(Rho)) -0.2044369E+00 Diamond 0.2608215E+01 Metallicity 0.6754375E+01 Ellipticity 0.3321960E-02 Gb(Abramov) 0.3664319E+00 Vb(Abramov) -0.5284269E+00 Hb(Abramov) -0.1619950E+00 Ex_ueg -0.9806743E-01 Ec_ueg -0.1306520E-01 Delta_ex -0.9661175E-01 Delta_ec 0.1857129E-01 Delta_et -0.2563977E+00 Pxc 0.7506004E+01 Qxc -0.5202211E+01 3,-1 89 3 -1 -0.773894 3.552795 -0.891026 Rho 0.1693658E+00 |GRAD(Rho)| 0.5946463E-15 GRAD(Rho)x 0.1066584E-15 GRAD(Rho)y -0.4423545E-16 GRAD(Rho)z -0.5833279E-15 Laplacian 0.6574093E+00 (-1/4)Del**2(Rho)) -0.1643523E+00 Diamond 0.1539206E+01 Metallicity 0.5434427E+01 Ellipticity 0.5263506E-01 Gb(Abramov) 0.2584283E+00 Vb(Abramov) -0.3525043E+00 Hb(Abramov) -0.9407600E-01 Ex_ueg -0.6920745E-01 Ec_ueg -0.9694524E-02 Delta_ex -0.7273738E-01 Delta_ec 0.1614204E-01 Delta_et -0.2181649E+00 Pxc 0.7138819E+01 Qxc -0.4506085E+01 3,-1 90 3 -1 -0.850027 3.524644 0.764741 Rho 0.8427783E-01 |GRAD(Rho)| 0.1487915E-15 GRAD(Rho)x -0.8704111E-17 GRAD(Rho)y 0.8331755E-16 GRAD(Rho)z -0.1229689E-15 Laplacian 0.3505412E+00 (-1/4)Del**2(Rho)) -0.8763529E-01 Diamond 0.3689770E+00 Metallicity 0.3184660E+01 Ellipticity 0.1275376E-01 Gb(Abramov) 0.1049383E+00 Vb(Abramov) -0.1222413E+00 Hb(Abramov) -0.1730300E-01 Ex_ueg -0.2728996E-01 Ec_ueg -0.4382951E-02 Delta_ex -0.3315192E-01 Delta_ec 0.1069367E-01 Delta_et -0.1286789E+00 Pxc 0.6226389E+01 Qxc -0.3100145E+01 3,-1 91 3 +1 0.498078 3.446157 -0.032054 Rho 0.1112857E-01 |GRAD(Rho)| 0.7236327E-17 GRAD(Rho)x 0.7146237E-17 GRAD(Rho)y -0.1138236E-17 GRAD(Rho)z 0.1230020E-19 Laplacian 0.4677449E-01 (-1/4)Del**2(Rho)) -0.1169362E-01 Diamond 0.1269194E-02 Metallicity 0.8172147E+00 Ellipticity -0.1117435E+01 Gb(Abramov) 0.9388449E-02 Vb(Abramov) -0.7083275E-02 Hb(Abramov) 0.2305174E-02 Ex_ueg -0.1835006E-02 Ec_ueg -0.4194915E-03 Delta_ex -0.2119489E-02 Delta_ec 0.3669131E-03 Delta_et -0.2892490E-02 Pxc 0.4374357E+01 Qxc -0.5776542E+01 3,+1 92 3 -1 -0.822673 3.905365 2.307615 Rho 0.1883275E+00 |GRAD(Rho)| 0.4964313E-15 GRAD(Rho)x 0.8116609E-16 GRAD(Rho)y -0.4522749E-15 GRAD(Rho)z -0.1878922E-15 Laplacian 0.7144316E+00 (-1/4)Del**2(Rho)) -0.1786079E+00 Diamond 0.1906404E+01 Metallicity 0.5968182E+01 Ellipticity 0.1619543E-01 Gb(Abramov) 0.2967327E+00 Vb(Abramov) -0.4148575E+00 Hb(Abramov) -0.1181248E+00 Ex_ueg -0.7972663E-01 Ec_ueg -0.1094071E-01 Delta_ex -0.8123125E-01 Delta_ec 0.1714247E-01 Delta_et -0.2345708E+00 Pxc 0.7287151E+01 Qxc -0.4738596E+01 3,-1 93 3 +1 0.091013 0.962425 1.646168 Rho 0.6806374E-02 |GRAD(Rho)| 0.4293902E-17 GRAD(Rho)x -0.1468842E-17 GRAD(Rho)y -0.1813311E-17 GRAD(Rho)z -0.3604441E-17 Laplacian 0.2486466E-01 (-1/4)Del**2(Rho)) -0.6216166E-02 Diamond 0.4517465E-03 Metallicity 0.6774702E+00 Ellipticity -0.1352561E+01 Gb(Abramov) 0.4845989E-02 Vb(Abramov) -0.3475811E-02 Hb(Abramov) 0.1370177E-02 Ex_ueg -0.9526633E-03 Ec_ueg -0.2254579E-03 Delta_ex -0.1051424E-02 Delta_ec 0.3144109E-03 Delta_et -0.2053223E-02 Pxc 0.4225460E+01 Qxc -0.3344109E+01 3,+1 94 3 -1 -0.500299 -3.079145 1.705858 Rho 0.2157288E+00 |GRAD(Rho)| 0.7527945E-13 GRAD(Rho)x 0.6898410E-13 GRAD(Rho)y 0.1010041E-13 GRAD(Rho)z 0.2839317E-13 Laplacian 0.8574120E+00 (-1/4)Del**2(Rho)) -0.2143530E+00 Diamond 0.2627704E+01 Metallicity 0.6236445E+01 Ellipticity 0.5777915E-02 Gb(Abramov) 0.3657021E+00 Vb(Abramov) -0.5170513E+00 Hb(Abramov) -0.1513491E+00 Ex_ueg -0.9555701E-01 Ec_ueg -0.1277747E-01 Delta_ex -0.1005218E+00 Delta_ec 0.1909996E-01 Delta_et -0.2615476E+00 Pxc 0.7478552E+01 Qxc -0.5262932E+01 3,-1 95 3 -1 -0.459397 -3.140145 -1.772673 Rho 0.2187964E+00 |GRAD(Rho)| 0.2224592E-13 GRAD(Rho)x -0.1340432E-13 GRAD(Rho)y 0.1598030E-13 GRAD(Rho)z 0.7735322E-14 Laplacian 0.8590575E+00 (-1/4)Del**2(Rho)) -0.2147644E+00 Diamond 0.2688393E+01 Metallicity 0.6372718E+01 Ellipticity 0.6752250E-02 Gb(Abramov) 0.3712817E+00 Vb(Abramov) -0.5277990E+00 Hb(Abramov) -0.1565173E+00 Ex_ueg -0.9737304E-01 Ec_ueg -0.1298570E-01 Delta_ex -0.1011474E+00 Delta_ec 0.1917271E-01 Delta_et -0.2631863E+00 Pxc 0.7498482E+01 Qxc -0.5275593E+01 3,-1 96 3 -1 0.123213 0.963589 3.392712 Rho 0.1319934E+00 |GRAD(Rho)| 0.2684144E-14 GRAD(Rho)x -0.1254301E-15 GRAD(Rho)y -0.2523589E-14 GRAD(Rho)z 0.9057560E-15 Laplacian 0.5505513E+00 (-1/4)Del**2(Rho)) -0.1376378E+00 Diamond 0.9789196E+00 Metallicity 0.4282879E+01 Ellipticity 0.1718856E-01 Gb(Abramov) 0.1900063E+00 Vb(Abramov) -0.2423747E+00 Hb(Abramov) -0.5236842E-01 Ex_ueg -0.4963501E-01 Ec_ueg -0.7301001E-02 Delta_ex -0.5757090E-01 Delta_ec 0.1487777E-01 Delta_et -0.1951855E+00 Pxc 0.6798384E+01 Qxc -0.3869591E+01 3,-1 97 3 -1 -0.085741 0.734250 -0.005528 Rho 0.1620890E+00 |GRAD(Rho)| 0.1713828E-15 GRAD(Rho)x 0.9020562E-16 GRAD(Rho)y -0.1457168E-15 GRAD(Rho)z -0.1273938E-17 Laplacian 0.3828789E+00 (-1/4)Del**2(Rho)) -0.9571973E-01 Diamond 0.8700588E+00 Metallicity 0.8672429E+01 Ellipticity 0.5332448E-02 Gb(Abramov) 0.2021669E+00 Vb(Abramov) -0.3086141E+00 Hb(Abramov) -0.1064472E+00 Ex_ueg -0.6527141E-01 Ec_ueg -0.9221820E-02 Delta_ex -0.4207841E-01 Delta_ec 0.9823142E-02 Delta_et -0.1328764E+00 Pxc 0.7077931E+01 Qxc -0.4283600E+01 3,-1 98 3 +1 1.436718 0.717056 0.871190 Rho 0.5888787E-02 |GRAD(Rho)| 0.9681280E-11 GRAD(Rho)x -0.4544910E-11 GRAD(Rho)y -0.7989616E-11 GRAD(Rho)z 0.3039247E-11 Laplacian 0.2167160E-01 (-1/4)Del**2(Rho)) -0.5417899E-02 Diamond 0.3411637E-03 Metallicity 0.6106120E+00 Ellipticity -0.1349541E+01 Gb(Abramov) 0.4163305E-02 Vb(Abramov) -0.2908711E-02 Hb(Abramov) 0.1254594E-02 Ex_ueg -0.7853915E-03 Ec_ueg -0.1853592E-03 Delta_ex -0.8970036E-03 Delta_ec 0.2977102E-03 Delta_et -0.1850288E-02 Pxc 0.4237133E+01 Qxc -0.3013009E+01 3,+1 99 3 +1 1.400174 -0.445253 -2.342780 Rho 0.2366403E-01 |GRAD(Rho)| 0.4641202E-14 GRAD(Rho)x 0.4422399E-14 GRAD(Rho)y 0.7792074E-16 GRAD(Rho)z -0.1406085E-14 Laplacian 0.8986966E-01 (-1/4)Del**2(Rho)) -0.2246741E-01 Diamond 0.1124136E-01 Metallicity 0.1495597E+01 Ellipticity -0.4562827E+01 Gb(Abramov) 0.2057864E-01 Vb(Abramov) -0.1868987E-01 Hb(Abramov) 0.1888772E-02 Ex_ueg -0.5017684E-02 Ec_ueg -0.1021688E-02 Delta_ex -0.5548254E-02 Delta_ec 0.1596603E-02 Delta_et -0.1388536E-01 Pxc 0.4911170E+01 Qxc -0.3475036E+01 3,+1 100 3 +1 0.351095 -1.427526 -2.458480 Rho 0.2907269E-01 |GRAD(Rho)| 0.1024530E-13 GRAD(Rho)x -0.2349830E-15 GRAD(Rho)y -0.8922911E-14 GRAD(Rho)z -0.5029173E-14 Laplacian 0.1164905E+00 (-1/4)Del**2(Rho)) -0.2912262E-01 Diamond 0.1950550E-01 Metallicity 0.1626041E+01 Ellipticity -0.5955153E+01 Gb(Abramov) 0.2730751E-01 Vb(Abramov) -0.2549239E-01 Hb(Abramov) 0.1815112E-02 Ex_ueg -0.6602352E-02 Ec_ueg -0.1295875E-02 Delta_ex -0.7611103E-02 Delta_ec 0.2095558E-02 Delta_et -0.1917065E-01 Pxc 0.5094898E+01 Qxc -0.3632017E+01 3,+1 101 3 +1 0.294382 -1.107005 2.629106 Rho 0.2459232E-01 |GRAD(Rho)| 0.3289464E-15 GRAD(Rho)x 0.2760256E-15 GRAD(Rho)y -0.1684550E-15 GRAD(Rho)z -0.6032002E-16 Laplacian 0.9115600E-01 (-1/4)Del**2(Rho)) -0.2278900E-01 Diamond 0.9772391E-02 Metallicity 0.1572149E+01 Ellipticity -0.2282895E+01 Gb(Abramov) 0.2116395E-01 Vb(Abramov) -0.1953890E-01 Hb(Abramov) 0.1625051E-02 Ex_ueg -0.5281829E-02 Ec_ueg -0.1068210E-02 Delta_ex -0.5435543E-02 Delta_ec 0.1173631E-02 Delta_et -0.1040908E-01 Pxc 0.4944561E+01 Qxc -0.4631389E+01 3,+1 102 3 -1 0.128249 -1.149100 -3.604229 Rho 0.1451573E+00 |GRAD(Rho)| 0.3925697E-09 GRAD(Rho)x 0.4629022E-10 GRAD(Rho)y -0.3894744E-09 GRAD(Rho)z 0.1666979E-10 Laplacian 0.5612765E+00 (-1/4)Del**2(Rho)) -0.1403191E+00 Diamond 0.1099094E+01 Metallicity 0.4922295E+01 Ellipticity 0.5561367E-01 Gb(Abramov) 0.2086614E+00 Vb(Abramov) -0.2770037E+00 Hb(Abramov) -0.6834231E-01 Ex_ueg -0.5634259E-01 Ec_ueg -0.8134234E-02 Delta_ex -0.5985115E-01 Delta_ec 0.1446150E-01 Delta_et -0.1918466E+00 Pxc 0.6926600E+01 Qxc -0.4138655E+01 3,-1 103 3 -1 0.473968 -1.845557 1.635864 Rho 0.5035628E-01 |GRAD(Rho)| 0.2076674E-15 GRAD(Rho)x -0.7242185E-17 GRAD(Rho)y -0.2020428E-15 GRAD(Rho)z 0.4745523E-16 Laplacian 0.1904477E+00 (-1/4)Del**2(Rho)) -0.4761191E-01 Diamond 0.9658421E-01 Metallicity 0.2484622E+01 Ellipticity 0.1593273E-01 Gb(Abramov) 0.5145754E-01 Vb(Abramov) -0.5530317E-01 Hb(Abramov) -0.3845629E-02 Ex_ueg -0.1373377E-01 Ec_ueg -0.2434577E-02 Delta_ex -0.1566605E-01 Delta_ec 0.5606036E-02 Delta_et -0.5920433E-01 Pxc 0.5641133E+01 Qxc -0.2794497E+01 3,-1 104 3 -1 0.130467 -1.114101 3.641322 Rho 0.1019060E+00 |GRAD(Rho)| 0.1240902E-13 GRAD(Rho)x -0.1039076E-13 GRAD(Rho)y 0.6508574E-14 GRAD(Rho)z -0.1911670E-14 Laplacian 0.4233569E+00 (-1/4)Del**2(Rho)) -0.1058392E+00 Diamond 0.5561860E+00 Metallicity 0.3618871E+01 Ellipticity 0.1998718E-01 Gb(Abramov) 0.1343959E+00 Vb(Abramov) -0.1629526E+00 Hb(Abramov) -0.2855668E-01 Ex_ueg -0.3515483E-01 Ec_ueg -0.5440657E-02 Delta_ex -0.4173147E-01 Delta_ec 0.1227778E-01 Delta_et -0.1537427E+00 Pxc 0.6461504E+01 Qxc -0.3398943E+01 3,-1 105 3 -1 -0.169649 2.366356 -2.390274 Rho 0.1275224E+00 |GRAD(Rho)| 0.2701535E-13 GRAD(Rho)x -0.7834608E-14 GRAD(Rho)y 0.2463947E-13 GRAD(Rho)z -0.7832276E-14 Laplacian 0.5255593E+00 (-1/4)Del**2(Rho)) -0.1313898E+00 Diamond 0.8745609E+00 Metallicity 0.4236125E+01 Ellipticity 0.1255236E-01 Gb(Abramov) 0.1803572E+00 Vb(Abramov) -0.2293245E+00 Hb(Abramov) -0.4896734E-01 Ex_ueg -0.4740603E-01 Ec_ueg -0.7020557E-02 Delta_ex -0.5423381E-01 Delta_ec 0.1383187E-01 Delta_et -0.1795571E+00 Pxc 0.6752460E+01 Qxc -0.3920932E+01 3,-1 106 3 -1 -0.159075 2.334563 -0.866027 Rho 0.4649112E-01 |GRAD(Rho)| 0.3527747E-15 GRAD(Rho)x -0.1205855E-15 GRAD(Rho)y 0.2546262E-15 GRAD(Rho)z 0.2123080E-15 Laplacian 0.1750476E+00 (-1/4)Del**2(Rho)) -0.4376191E-01 Diamond 0.7866712E-01 Metallicity 0.2366321E+01 Ellipticity 0.2522901E-01 Gb(Abramov) 0.4643373E-01 Vb(Abramov) -0.4910554E-01 Hb(Abramov) -0.2671815E-02 Ex_ueg -0.1234653E-01 Ec_ueg -0.2221854E-02 Delta_ex -0.1406642E-01 Delta_ec 0.5073373E-02 Delta_et -0.5245267E-01 Pxc 0.5556861E+01 Qxc -0.2772597E+01 3,-1 107 3 +1 2.113657 -2.114953 0.062374 Rho 0.4775505E-02 |GRAD(Rho)| 0.2391352E-13 GRAD(Rho)x 0.4366258E-14 GRAD(Rho)y -0.4021670E-14 GRAD(Rho)z 0.2316503E-13 Laplacian 0.1878405E-01 (-1/4)Del**2(Rho)) -0.4696011E-02 Diamond 0.4316247E-03 Metallicity 0.4968091E+00 Ellipticity -0.5217161E+01 Gb(Abramov) 0.3519511E-02 Vb(Abramov) -0.2343011E-02 Hb(Abramov) 0.1176500E-02 Ex_ueg -0.5939421E-03 Ec_ueg -0.1372647E-03 Delta_ex -0.9452673E-03 Delta_ec 0.6264089E-03 Delta_et -0.3341111E-02 Pxc 0.4326984E+01 Qxc -0.1509026E+01 3,+1 108 3 +1 1.584962 -1.432258 -1.753172 Rho 0.2500358E-01 |GRAD(Rho)| 0.1446977E-16 GRAD(Rho)x -0.9172340E-17 GRAD(Rho)y 0.9208284E-17 GRAD(Rho)z 0.6360024E-17 Laplacian 0.9711482E-01 (-1/4)Del**2(Rho)) -0.2427871E-01 Diamond 0.1360309E-01 Metallicity 0.1517043E+01 Ellipticity -0.6578541E+01 Gb(Abramov) 0.2232444E-01 Vb(Abramov) -0.2037018E-01 Hb(Abramov) 0.1954262E-02 Ex_ueg -0.5399927E-02 Ec_ueg -0.1088894E-02 Delta_ex -0.6137870E-02 Delta_ec 0.1822262E-02 Delta_et -0.1604560E-01 Pxc 0.4959092E+01 Qxc -0.3368270E+01 3,+1 109 3 -1 -0.236285 2.425563 2.484665 Rho 0.1231530E+00 |GRAD(Rho)| 0.1726854E-15 GRAD(Rho)x 0.1397808E-15 GRAD(Rho)y -0.3060161E-16 GRAD(Rho)z -0.9667018E-16 Laplacian 0.5112167E+00 (-1/4)Del**2(Rho)) -0.1278042E+00 Diamond 0.8425811E+00 Metallicity 0.4109128E+01 Ellipticity 0.1732634E-01 Gb(Abramov) 0.1727301E+00 Vb(Abramov) -0.2176560E+00 Hb(Abramov) -0.4492590E-01 Ex_ueg -0.4525275E-01 Ec_ueg -0.6747784E-02 Delta_ex -0.5266136E-01 Delta_ec 0.1418585E-01 Delta_et -0.1841471E+00 Pxc 0.6706313E+01 Qxc -0.3712245E+01 3,-1 110 3 +3 1.342508 -1.359687 2.744098 Rho 0.1114747E-01 |GRAD(Rho)| 0.1400923E-16 GRAD(Rho)x -0.1090287E-16 GRAD(Rho)y 0.4875076E-17 GRAD(Rho)z 0.7322542E-17 Laplacian 0.4582383E-01 (-1/4)Del**2(Rho)) -0.1145596E-01 Diamond 0.8783784E-03 Metallicity 0.8365318E+00 Ellipticity -0.7753991E+00 Gb(Abramov) 0.9234517E-02 Vb(Abramov) -0.7013077E-02 Hb(Abramov) 0.2221440E-02 Ex_ueg -0.1839163E-02 Ec_ueg -0.4203578E-03 Delta_ex -0.1960091E-02 Delta_ec 0.1500197E-03 Delta_et -0.1459384E-02 Pxc 0.4375233E+01 Qxc -0.1306555E+02 3,+3 111 3 -1 0.500740 -1.874473 -1.604251 Rho 0.5479917E-01 |GRAD(Rho)| 0.3329623E-15 GRAD(Rho)x 0.1164559E-15 GRAD(Rho)y 0.2280992E-15 GRAD(Rho)z -0.2127738E-15 Laplacian 0.2062675E+00 (-1/4)Del**2(Rho)) -0.5156687E-01 Diamond 0.1176461E+00 Metallicity 0.2641227E+01 Ellipticity 0.1962505E-01 Gb(Abramov) 0.5707788E-01 Vb(Abramov) -0.6258889E-01 Hb(Abramov) -0.5511009E-02 Ex_ueg -0.1537271E-01 Ec_ueg -0.2681822E-02 Delta_ex -0.1734591E-01 Delta_ec 0.6087808E-02 Delta_et -0.6571802E-01 Pxc 0.5732187E+01 Qxc -0.2849287E+01 3,-1 112 3 -1 0.732194 -3.918205 -2.215863 Rho 0.2135942E+00 |GRAD(Rho)| 0.8816937E-14 GRAD(Rho)x -0.6465585E-14 GRAD(Rho)y -0.5989458E-14 GRAD(Rho)z -0.2469270E-15 Laplacian 0.7975488E+00 (-1/4)Del**2(Rho)) -0.1993872E+00 Diamond 0.2459363E+01 Metallicity 0.6594343E+01 Ellipticity 0.1846079E-01 Gb(Abramov) 0.3520627E+00 Vb(Abramov) -0.5047383E+00 Hb(Abramov) -0.1526755E+00 Ex_ueg -0.9429838E-01 Ec_ueg -0.1263289E-01 Delta_ex -0.9353791E-01 Delta_ec 0.1830739E-01 Delta_et -0.2524663E+00 Pxc 0.7464517E+01 Qxc -0.5109298E+01 3,-1 113 3 -1 0.593376 -3.924737 2.265047 Rho 0.2130105E+00 |GRAD(Rho)| 0.1160187E-14 GRAD(Rho)x -0.1976230E-15 GRAD(Rho)y 0.9672168E-15 GRAD(Rho)z -0.6094843E-15 Laplacian 0.7946744E+00 (-1/4)Del**2(Rho)) -0.1986686E+00 Diamond 0.2443299E+01 Metallicity 0.6588079E+01 Ellipticity 0.2055539E-01 Gb(Abramov) 0.3505865E+00 Vb(Abramov) -0.5025044E+00 Hb(Abramov) -0.1519179E+00 Ex_ueg -0.9395494E-01 Ec_ueg -0.1259339E-01 Delta_ex -0.9314048E-01 Delta_ec 0.1826490E-01 Delta_et -0.2518707E+00 Pxc 0.7460654E+01 Qxc -0.5099424E+01 3,-1 114 3 -1 0.099998 -0.392818 0.667574 Rho 0.1631938E+00 |GRAD(Rho)| 0.2262713E-14 GRAD(Rho)x -0.1020017E-14 GRAD(Rho)y 0.7546047E-15 GRAD(Rho)z -0.1873501E-14 Laplacian 0.3867173E+00 (-1/4)Del**2(Rho)) -0.9667932E-01 Diamond 0.8855866E+00 Metallicity 0.8684120E+01 Ellipticity 0.1011897E-01 Gb(Abramov) 0.2043820E+00 Vb(Abramov) -0.3120847E+00 Hb(Abramov) -0.1077027E+00 Ex_ueg -0.6586530E-01 Ec_ueg -0.9293390E-02 Delta_ex -0.4256810E-01 Delta_ec 0.9898472E-02 Delta_et -0.1340005E+00 Pxc 0.7087328E+01 Qxc -0.4300472E+01 3,-1 115 3 -1 0.322722 -0.364719 2.507664 Rho 0.3926624E-01 |GRAD(Rho)| 0.3754298E-12 GRAD(Rho)x -0.3575232E-12 GRAD(Rho)y 0.4209174E-13 GRAD(Rho)z 0.1065504E-12 Laplacian 0.1584270E+00 (-1/4)Del**2(Rho)) -0.3960676E-01 Diamond 0.6166730E-01 Metallicity 0.1973101E+01 Ellipticity 0.1826745E-01 Gb(Abramov) 0.3942920E-01 Vb(Abramov) -0.3925163E-01 Hb(Abramov) 0.1775645E-03 Ex_ueg -0.9856985E-02 Ec_ueg -0.1830764E-02 Delta_ex -0.1250607E-01 Delta_ec 0.5136948E-02 Delta_et -0.5083978E-01 Pxc 0.5384082E+01 Qxc -0.2434533E+01 3,-1 116 3 -1 0.004956 0.014408 -4.596634 Rho 0.2162710E+00 |GRAD(Rho)| 0.2715675E-15 GRAD(Rho)x -0.2718552E-17 GRAD(Rho)y 0.4872134E-16 GRAD(Rho)z -0.2671474E-15 Laplacian 0.8062176E+00 (-1/4)Del**2(Rho)) -0.2015544E+00 Diamond 0.2522136E+01 Metallicity 0.6660263E+01 Ellipticity 0.1315932E-01 Gb(Abramov) 0.3581038E+00 Vb(Abramov) -0.5146532E+00 Hb(Abramov) -0.1565494E+00 Ex_ueg -0.9587737E-01 Ec_ueg -0.1281424E-01 Delta_ex -0.9484949E-01 Delta_ec 0.1842550E-01 Delta_et -0.2542359E+00 Pxc 0.7482096E+01 Qxc -0.5147729E+01 3,-1 117 3 -1 0.263945 -0.436888 -2.482504 Rho 0.4904271E-01 |GRAD(Rho)| 0.2141069E-12 GRAD(Rho)x 0.1832083E-13 GRAD(Rho)y 0.1091082E-12 GRAD(Rho)z 0.1833072E-12 Laplacian 0.1850403E+00 (-1/4)Del**2(Rho)) -0.4626008E-01 Diamond 0.9011278E-01 Metallicity 0.2447020E+01 Ellipticity 0.1343382E-01 Gb(Abramov) 0.4970661E-01 Vb(Abramov) -0.5315314E-01 Hb(Abramov) -0.3446532E-02 Ex_ueg -0.1325819E-01 Ec_ueg -0.2362027E-02 Delta_ex -0.1510167E-01 Delta_ec 0.5415075E-02 Delta_et -0.5678635E-01 Pxc 0.5613057E+01 Qxc -0.2788820E+01 3,-1 118 3 -1 0.097213 -0.408664 -0.677414 Rho 0.1558859E+00 |GRAD(Rho)| 0.4375007E-14 GRAD(Rho)x -0.2050443E-14 GRAD(Rho)y 0.1817990E-14 GRAD(Rho)z 0.3410466E-14 Laplacian 0.3569852E+00 (-1/4)Del**2(Rho)) -0.8924629E-01 Diamond 0.7777852E+00 Metallicity 0.8715807E+01 Ellipticity 0.3490431E-02 Gb(Abramov) 0.1891398E+00 Vb(Abramov) -0.2890333E+00 Hb(Abramov) -0.9989348E-01 Ex_ueg -0.6196229E-01 Ec_ueg -0.8821353E-02 Delta_ex -0.3889268E-01 Delta_ec 0.9310928E-02 Delta_et -0.1254255E+00 Pxc 0.7024125E+01 Qxc -0.4177100E+01 3,-1 119 3 +1 1.481809 -0.459153 2.318998 Rho 0.2110225E-01 |GRAD(Rho)| 0.3385900E-16 GRAD(Rho)x 0.2956001E-16 GRAD(Rho)y -0.4012294E-17 GRAD(Rho)z -0.1601685E-16 Laplacian 0.7390291E-01 (-1/4)Del**2(Rho)) -0.1847573E-01 Diamond 0.7389716E-02 Metallicity 0.1502564E+01 Ellipticity -0.3766327E+01 Gb(Abramov) 0.1694398E-01 Vb(Abramov) -0.1541223E-01 Hb(Abramov) 0.1531748E-02 Ex_ueg -0.4306821E-02 Ec_ueg -0.8945454E-03 Delta_ex -0.4357860E-02 Delta_ec 0.1189472E-02 Delta_et -0.1009004E-01 Pxc 0.4814536E+01 Qxc -0.3663694E+01 3,+1 120 3 -1 0.067405 0.051357 4.692523 Rho 0.1954552E+00 |GRAD(Rho)| 0.1407311E-15 GRAD(Rho)x 0.3387454E-16 GRAD(Rho)y -0.3052029E-16 GRAD(Rho)z -0.1331400E-15 Laplacian 0.7394859E+00 (-1/4)Del**2(Rho)) -0.1848715E+00 Diamond 0.2058096E+01 Metallicity 0.6134256E+01 Ellipticity 0.7033629E-02 Gb(Abramov) 0.3122558E+00 Vb(Abramov) -0.4396401E+00 Hb(Abramov) -0.1273843E+00 Ex_ueg -0.8377504E-01 Ec_ueg -0.1141445E-01 Delta_ex -0.8483921E-01 Delta_ec 0.1750213E-01 Delta_et -0.2401027E+00 Pxc 0.7339383E+01 Qxc -0.4847365E+01 3,-1 121 3 -1 0.503547 3.342496 -1.585890 Rho 0.1666998E+00 |GRAD(Rho)| 0.2942158E-15 GRAD(Rho)x 0.2602898E-15 GRAD(Rho)y 0.1289049E-15 GRAD(Rho)z 0.4685786E-16 Laplacian 0.6595689E+00 (-1/4)Del**2(Rho)) -0.1648922E+00 Diamond 0.1510057E+01 Metallicity 0.5275271E+01 Ellipticity 0.4699241E-01 Gb(Abramov) 0.2549033E+00 Vb(Abramov) -0.3449144E+00 Hb(Abramov) -0.9001112E-01 Ex_ueg -0.6775871E-01 Ec_ueg -0.9520976E-02 Delta_ex -0.7264414E-01 Delta_ec 0.1618324E-01 Delta_et -0.2181025E+00 Pxc 0.7116782E+01 Qxc -0.4488852E+01 3,-1 122 3 +3 0.478556 3.308944 -0.022447 Rho 0.1110044E-01 |GRAD(Rho)| 0.1653650E-16 GRAD(Rho)x 0.5181168E-18 GRAD(Rho)y -0.1599658E-17 GRAD(Rho)z -0.1645079E-16 Laplacian 0.4626301E-01 (-1/4)Del**2(Rho)) -0.1156575E-01 Diamond 0.1014846E-02 Metallicity 0.8227718E+00 Ellipticity -0.8345642E+00 Gb(Abramov) 0.9296498E-02 Vb(Abramov) -0.7027243E-02 Hb(Abramov) 0.2269255E-02 Ex_ueg -0.1828824E-02 Ec_ueg -0.4182029E-03 Delta_ex -0.2019140E-02 Delta_ec 0.2277576E-03 Delta_et -0.1973244E-02 Pxc 0.4373053E+01 Qxc -0.8865304E+01 3,+3 123 3 -1 0.406991 3.363453 1.523014 Rho 0.9089897E-01 |GRAD(Rho)| 0.4309745E-16 GRAD(Rho)x 0.4112514E-16 GRAD(Rho)y -0.6777958E-17 GRAD(Rho)z 0.1096230E-16 Laplacian 0.3802156E+00 (-1/4)Del**2(Rho)) -0.9505391E-01 Diamond 0.4294372E+00 Metallicity 0.3330541E+01 Ellipticity 0.3747519E-02 Gb(Abramov) 0.1161328E+00 Vb(Abramov) -0.1372116E+00 Hb(Abramov) -0.2107885E-01 Ex_ueg -0.3018540E-01 Ec_ueg -0.4777125E-02 Delta_ex -0.3639971E-01 Delta_ec 0.1110254E-01 Delta_et -0.1355414E+00 Pxc 0.6318739E+01 Qxc -0.3278503E+01 3,-1 124 3 -1 0.698284 -3.156775 -0.874952 Rho 0.1578865E+00 |GRAD(Rho)| 0.3102142E-12 GRAD(Rho)x -0.5394508E-13 GRAD(Rho)y 0.3664596E-13 GRAD(Rho)z -0.3032818E-12 Laplacian 0.6502747E+00 (-1/4)Del**2(Rho)) -0.1625687E+00 Diamond 0.1394221E+01 Metallicity 0.4887549E+01 Ellipticity 0.1988324E-01 Gb(Abramov) 0.2408062E+00 Vb(Abramov) -0.3190437E+00 Hb(Abramov) -0.7823749E-01 Ex_ueg -0.6302481E-01 Ec_ueg -0.8950257E-02 Delta_ex -0.7065451E-01 Delta_ec 0.1616899E-01 Delta_et -0.2164340E+00 Pxc 0.7041676E+01 Qxc -0.4369754E+01 3,-1 125 3 -1 0.669838 -3.143985 0.906421 Rho 0.1093974E+00 |GRAD(Rho)| 0.8696723E-16 GRAD(Rho)x 0.3551101E-16 GRAD(Rho)y 0.3180693E-16 GRAD(Rho)z 0.7273641E-16 Laplacian 0.4467557E+00 (-1/4)Del**2(Rho)) -0.1116889E+00 Diamond 0.6243811E+00 Metallicity 0.3859710E+01 Ellipticity 0.6200390E-02 Gb(Abramov) 0.1463071E+00 Vb(Abramov) -0.1809253E+00 Hb(Abramov) -0.3461817E-01 Ex_ueg -0.3864213E-01 Ec_ueg -0.5897747E-02 Delta_ex -0.4454231E-01 Delta_ec 0.1235117E-01 Delta_et -0.1563076E+00 Pxc 0.6552016E+01 Qxc -0.3606322E+01 3,-1 126 3 -1 0.355276 -2.511993 -2.768085 Rho 0.1164539E+00 |GRAD(Rho)| 0.5897835E-15 GRAD(Rho)x 0.7923316E-16 GRAD(Rho)y -0.3108746E-15 GRAD(Rho)z 0.4948976E-15 Laplacian 0.4461628E+00 (-1/4)Del**2(Rho)) -0.1115407E+00 Diamond 0.6715797E+00 Metallicity 0.4289204E+01 Ellipticity 0.3196838E-01 Gb(Abramov) 0.1540973E+00 Vb(Abramov) -0.1966538E+00 Hb(Abramov) -0.4255657E-01 Ex_ueg -0.4200077E-01 Ec_ueg -0.6332127E-02 Delta_ex -0.4513444E-01 Delta_ec 0.1214286E-01 Delta_et -0.1554295E+00 Pxc 0.6632963E+01 Qxc -0.3716953E+01 3,-1 127 3 -1 0.271226 -2.518327 2.816020 Rho 0.1533462E+00 |GRAD(Rho)| 0.5013774E-12 GRAD(Rho)x -0.7717828E-13 GRAD(Rho)y 0.2506995E-12 GRAD(Rho)z 0.4272851E-12 Laplacian 0.5788964E+00 (-1/4)Del**2(Rho)) -0.1447241E+00 Diamond 0.1215486E+01 Metallicity 0.5229588E+01 Ellipticity 0.3032356E-01 Gb(Abramov) 0.2226240E+00 Vb(Abramov) -0.3005239E+00 Hb(Abramov) -0.7789988E-01 Ex_ueg -0.6061999E-01 Ec_ueg -0.8658064E-02 Delta_ex -0.6261155E-01 Delta_ec 0.1479477E-01 Delta_et -0.1979910E+00 Pxc 0.7001564E+01 Qxc -0.4232004E+01 3,-1 128 3 +1 3.055633 0.526721 0.007324 Rho 0.1140039E-01 |GRAD(Rho)| 0.9484017E-17 GRAD(Rho)x -0.2249218E-17 GRAD(Rho)y 0.9189494E-17 GRAD(Rho)z -0.6639216E-18 Laplacian 0.5307240E-01 (-1/4)Del**2(Rho)) -0.1326810E-01 Diamond 0.1877001E-02 Metallicity 0.7497972E+00 Ellipticity -0.1251202E+01 Gb(Abramov) 0.1050346E-01 Vb(Abramov) -0.7738828E-02 Hb(Abramov) 0.2764636E-02 Ex_ueg -0.1895009E-02 Ec_ueg -0.4319600E-03 Delta_ex -0.2541191E-02 Delta_ec 0.6307010E-03 Delta_et -0.4716036E-02 Pxc 0.4387000E+01 Qxc -0.4029154E+01 3,+1 129 3 +3 1.094965 1.065137 -1.585630 Rho 0.4264943E-02 |GRAD(Rho)| 0.1136415E-15 GRAD(Rho)x -0.4542169E-16 GRAD(Rho)y 0.5179588E-16 GRAD(Rho)z 0.9037952E-16 Laplacian 0.1742402E-01 (-1/4)Del**2(Rho)) -0.4356004E-02 Diamond 0.1209357E-03 Metallicity 0.4435953E+00 Ellipticity -0.2408760E+00 Gb(Abramov) 0.3226054E-02 Vb(Abramov) -0.2096103E-02 Hb(Abramov) 0.1129951E-02 Ex_ueg -0.5108218E-03 Ec_ueg -0.1154188E-03 Delta_ex -0.6025753E-03 Delta_ec 0.1239731E-03 Delta_et -0.8160162E-03 Pxc 0.4425812E+01 Qxc -0.4860534E+01 3,+3 130 3 +1 1.513902 1.291181 -2.250728 Rho 0.5818074E-02 |GRAD(Rho)| 0.2747099E-12 GRAD(Rho)x 0.7900544E-13 GRAD(Rho)y -0.1939346E-12 GRAD(Rho)z -0.1778005E-12 Laplacian 0.2382857E-01 (-1/4)Del**2(Rho)) -0.5957142E-02 Diamond 0.6763027E-03 Metallicity 0.5442694E+00 Ellipticity -0.3651613E+01 Gb(Abramov) 0.4511810E-02 Vb(Abramov) -0.3066478E-02 Hb(Abramov) 0.1445332E-02 Ex_ueg -0.7728420E-03 Ec_ueg -0.1822860E-03 Delta_ex -0.1216497E-02 Delta_ec 0.7435744E-03 Delta_et -0.4228627E-02 Pxc 0.4239723E+01 Qxc -0.1636012E+01 3,+1 131 3 +1 1.486574 -1.455470 -2.944566 Rho 0.1215355E-01 |GRAD(Rho)| 0.2188937E-14 GRAD(Rho)x -0.1249322E-14 GRAD(Rho)y 0.9659947E-15 GRAD(Rho)z 0.1515748E-14 Laplacian 0.5714498E-01 (-1/4)Del**2(Rho)) -0.1428624E-01 Diamond 0.1941701E-02 Metallicity 0.7747116E+00 Ellipticity -0.1163249E+01 Gb(Abramov) 0.1136878E-01 Vb(Abramov) -0.8451321E-02 Hb(Abramov) 0.2917462E-02 Ex_ueg -0.2063743E-02 Ec_ueg -0.4666618E-03 Delta_ex -0.2708020E-02 Delta_ec 0.5447235E-03 Delta_et -0.4247602E-02 Pxc 0.4422353E+01 Qxc -0.4971366E+01 3,+1 132 3 +1 1.438116 -1.459214 2.917115 Rho 0.1125815E-01 |GRAD(Rho)| 0.9831159E-17 GRAD(Rho)x -0.9481179E-17 GRAD(Rho)y -0.3466834E-18 GRAD(Rho)z 0.2576578E-17 Laplacian 0.4701322E-01 (-1/4)Del**2(Rho)) -0.1175330E-01 Diamond 0.1274630E-02 Metallicity 0.8289055E+00 Ellipticity -0.1134035E+01 Gb(Abramov) 0.9459266E-02 Vb(Abramov) -0.7165228E-02 Hb(Abramov) 0.2294038E-02 Ex_ueg -0.1863551E-02 Ec_ueg -0.4254319E-03 Delta_ex -0.2130396E-02 Delta_ec 0.3566422E-03 Delta_et -0.2833942E-02 Pxc 0.4380373E+01 Qxc -0.5973481E+01 3,+1 133 3 +3 1.630012 -1.591810 0.007556 Rho 0.3838731E-02 |GRAD(Rho)| 0.4698824E-16 GRAD(Rho)x -0.2101672E-16 GRAD(Rho)y 0.2517544E-16 GRAD(Rho)z -0.3365098E-16 Laplacian 0.1564336E-01 (-1/4)Del**2(Rho)) -0.3910841E-02 Diamond 0.1052265E-03 Metallicity 0.4145680E+00 Ellipticity -0.1921919E+00 Gb(Abramov) 0.2877446E-02 Vb(Abramov) -0.1844050E-02 Hb(Abramov) 0.1033395E-02 Ex_ueg -0.4439172E-03 Ec_ueg -0.9728614E-04 Delta_ex -0.5409942E-03 Delta_ec 0.1375246E-03 Delta_et -0.8362752E-03 Pxc 0.4563005E+01 Qxc -0.3933798E+01 3,+3 134 3 +1 1.442857 1.718527 -2.003435 Rho 0.5714224E-02 |GRAD(Rho)| 0.3402942E-17 GRAD(Rho)x 0.3926146E-18 GRAD(Rho)y 0.3369770E-17 GRAD(Rho)z 0.2655594E-18 Laplacian 0.2332721E-01 (-1/4)Del**2(Rho)) -0.5831803E-02 Diamond 0.5756509E-03 Metallicity 0.5395260E+00 Ellipticity -0.2136160E+01 Gb(Abramov) 0.4412270E-02 Vb(Abramov) -0.2992738E-02 Hb(Abramov) 0.1419533E-02 Ex_ueg -0.7545037E-03 Ec_ueg -0.1777771E-03 Delta_ex -0.1131827E-02 Delta_ec 0.6300151E-03 Delta_et -0.3602842E-02 Pxc 0.4244100E+01 Qxc -0.1796508E+01 3,+1 135 3 -1 1.488201 1.420403 -2.168296 Rho 0.5832350E-02 |GRAD(Rho)| 0.3091370E-15 GRAD(Rho)x 0.9107043E-16 GRAD(Rho)y -0.2471434E-15 GRAD(Rho)z -0.1618395E-15 Laplacian 0.2327282E-01 (-1/4)Del**2(Rho)) -0.5818206E-02 Diamond 0.7624493E-03 Metallicity 0.5595472E+00 Ellipticity 0.3134284E+01 Gb(Abramov) 0.4421397E-02 Vb(Abramov) -0.3024589E-02 Hb(Abramov) 0.1396808E-02 Ex_ueg -0.7753715E-03 Ec_ueg -0.1829062E-03 Delta_ex -0.1264125E-02 Delta_ec 0.8608941E-03 Delta_et -0.4845565E-02 Pxc 0.4239175E+01 Qxc -0.1468386E+01 3,-1 136 3 -1 1.284836 2.072743 0.040299 Rho 0.3507679E-01 |GRAD(Rho)| 0.9054325E-16 GRAD(Rho)x -0.5170586E-16 GRAD(Rho)y -0.7420263E-16 GRAD(Rho)z -0.4307586E-17 Laplacian 0.1415488E+00 (-1/4)Del**2(Rho)) -0.3538720E-01 Diamond 0.4720314E-01 Metallicity 0.1829813E+01 Ellipticity 0.4928458E-01 Gb(Abramov) 0.3438346E-01 Vb(Abramov) -0.3337972E-01 Hb(Abramov) 0.1003740E-02 Ex_ueg -0.8480305E-02 Ec_ueg -0.1608326E-02 Delta_ex -0.1086850E-01 Delta_ec 0.4584286E-02 Delta_et -0.4397399E-01 Pxc 0.5272753E+01 Qxc -0.2370816E+01 3,-1 137 3 +1 1.028111 2.499973 -0.527915 Rho 0.2206120E-01 |GRAD(Rho)| 0.1738209E-14 GRAD(Rho)x -0.7271716E-15 GRAD(Rho)y 0.7992464E-15 GRAD(Rho)z 0.1361542E-14 Laplacian 0.8037633E-01 (-1/4)Del**2(Rho)) -0.2009408E-01 Diamond 0.7172906E-02 Metallicity 0.1487762E+01 Ellipticity -0.2068253E+01 Gb(Abramov) 0.1837859E-01 Vb(Abramov) -0.1666310E-01 Hb(Abramov) 0.1715491E-02 Ex_ueg -0.4569730E-02 Ec_ueg -0.9419197E-03 Delta_ex -0.4620157E-02 Delta_ec 0.9795786E-03 Delta_et -0.8504851E-02 Pxc 0.4851507E+01 Qxc -0.4716474E+01 3,+1 138 3 -1 1.528192 -2.681790 -2.013484 Rho 0.9284455E-01 |GRAD(Rho)| 0.1219872E-15 GRAD(Rho)x -0.1140716E-15 GRAD(Rho)y -0.2654093E-16 GRAD(Rho)z 0.3411933E-16 Laplacian 0.3721354E+00 (-1/4)Del**2(Rho)) -0.9303384E-01 Diamond 0.4182178E+00 Metallicity 0.3525112E+01 Ellipticity 0.3167397E-01 Gb(Abramov) 0.1166817E+00 Vb(Abramov) -0.1403295E+00 Hb(Abramov) -0.2364784E-01 Ex_ueg -0.3104990E-01 Ec_ueg -0.4893678E-02 Delta_ex -0.3555385E-01 Delta_ec 0.1037987E-01 Delta_et -0.1268311E+00 Pxc 0.6344901E+01 Qxc -0.3425269E+01 3,-1 139 3 -1 1.771219 -0.675855 1.611971 Rho 0.3096785E-01 |GRAD(Rho)| 0.4743482E-16 GRAD(Rho)x -0.4502573E-16 GRAD(Rho)y 0.4193448E-17 GRAD(Rho)z -0.1432343E-16 Laplacian 0.1234136E+00 (-1/4)Del**2(Rho)) -0.3085340E-01 Diamond 0.3422665E-01 Metallicity 0.1705173E+01 Ellipticity 0.4926972E-01 Gb(Abramov) 0.2933733E-01 Vb(Abramov) -0.2782126E-01 Hb(Abramov) 0.1516068E-02 Ex_ueg -0.7182347E-02 Ec_ueg -0.1393637E-02 Delta_ex -0.9154895E-02 Delta_ec 0.3923253E-02 Delta_et -0.3634467E-01 Pxc 0.5153671E+01 Qxc -0.2333496E+01 3,-1 140 3 -1 1.867453 3.094223 -0.725126 Rho 0.9368262E-01 |GRAD(Rho)| 0.1195051E-15 GRAD(Rho)x 0.4845706E-16 GRAD(Rho)y -0.9089002E-16 GRAD(Rho)z -0.6060013E-16 Laplacian 0.3931167E+00 (-1/4)Del**2(Rho)) -0.9827916E-01 Diamond 0.4695745E+00 Metallicity 0.3387324E+01 Ellipticity 0.1331885E-02 Gb(Abramov) 0.1210033E+00 Vb(Abramov) -0.1437275E+00 Hb(Abramov) -0.2272418E-01 Ex_ueg -0.3142417E-01 Ec_ueg -0.4943984E-02 Delta_ex -0.3806499E-01 Delta_ec 0.1170844E-01 Delta_et -0.1441763E+00 Pxc 0.6356042E+01 Qxc -0.3251071E+01 3,-1 141 3 -1 1.861470 3.145853 0.728710 Rho 0.1481618E+00 |GRAD(Rho)| 0.3303379E-14 GRAD(Rho)x 0.1805522E-14 GRAD(Rho)y -0.1768903E-14 GRAD(Rho)z -0.2126825E-14 Laplacian 0.5896657E+00 (-1/4)Del**2(Rho)) -0.1474164E+00 Diamond 0.1195269E+01 Metallicity 0.4848055E+01 Ellipticity 0.2299217E-01 Gb(Abramov) 0.2173914E+00 Vb(Abramov) -0.2873664E+00 Hb(Abramov) -0.6997500E-01 Ex_ueg -0.5790284E-01 Ec_ueg -0.8325944E-02 Delta_ex -0.6331409E-01 Delta_ec 0.1533023E-01 Delta_et -0.2044556E+00 Pxc 0.6954508E+01 Qxc -0.4130014E+01 3,-1 142 3 +1 1.670660 -1.329475 1.719406 Rho 0.2342492E-01 |GRAD(Rho)| 0.1773149E-16 GRAD(Rho)x -0.1773879E-17 GRAD(Rho)y 0.1632722E-16 GRAD(Rho)z -0.6684389E-17 Laplacian 0.8590726E-01 (-1/4)Del**2(Rho)) -0.2147681E-01 Diamond 0.9215600E-02 Metallicity 0.1538321E+01 Ellipticity -0.2689462E+01 Gb(Abramov) 0.1982425E-01 Vb(Abramov) -0.1817168E-01 Hb(Abramov) 0.1652566E-02 Ex_ueg -0.4950199E-02 Ec_ueg -0.1009743E-02 Delta_ex -0.5125825E-02 Delta_ec 0.1234120E-02 Delta_et -0.1078271E-01 Pxc 0.4902434E+01 Qxc -0.4153426E+01 3,+1 143 3 -1 2.724257 -1.527201 -2.039189 Rho 0.1593655E+00 |GRAD(Rho)| 0.4252307E-15 GRAD(Rho)x 0.3919391E-16 GRAD(Rho)y 0.4166318E-15 GRAD(Rho)z 0.7551807E-16 Laplacian 0.6181807E+00 (-1/4)Del**2(Rho)) -0.1545452E+00 Diamond 0.1346711E+01 Metallicity 0.5221817E+01 Ellipticity 0.3125178E-01 Gb(Abramov) 0.2375312E+00 Vb(Abramov) -0.3205173E+00 Hb(Abramov) -0.8298604E-01 Ex_ueg -0.6381325E-01 Ec_ueg -0.9045713E-02 Delta_ex -0.6738147E-01 Delta_ec 0.1543928E-01 Delta_et -0.2071769E+00 Pxc 0.7054530E+01 Qxc -0.4364288E+01 3,-1 144 3 -1 2.696673 -1.620751 1.996602 Rho 0.1359194E+00 |GRAD(Rho)| 0.1444702E-14 GRAD(Rho)x -0.1344858E-14 GRAD(Rho)y 0.4351716E-15 GRAD(Rho)z -0.2985723E-15 Laplacian 0.5483756E+00 (-1/4)Del**2(Rho)) -0.1370939E+00 Diamond 0.1008957E+01 Metallicity 0.4515138E+01 Ellipticity 0.2150446E-01 Gb(Abramov) 0.1945622E+00 Vb(Abramov) -0.2520306E+00 Hb(Abramov) -0.5746835E-01 Ex_ueg -0.5161317E-01 Ec_ueg -0.7548343E-02 Delta_ex -0.5773701E-01 Delta_ec 0.1469512E-01 Delta_et -0.1936802E+00 Pxc 0.6837682E+01 Qxc -0.3928993E+01 3,-1 145 3 -1 2.676836 1.884521 -0.675714 Rho 0.1090476E+00 |GRAD(Rho)| 0.9850014E-14 GRAD(Rho)x 0.3437497E-14 GRAD(Rho)y 0.8428737E-14 GRAD(Rho)z 0.3763347E-14 Laplacian 0.4723774E+00 (-1/4)Del**2(Rho)) -0.1180943E+00 Diamond 0.6754149E+00 Metallicity 0.3630927E+01 Ellipticity 0.1573547E-01 Gb(Abramov) 0.1501949E+00 Vb(Abramov) -0.1822954E+00 Hb(Abramov) -0.3210055E-01 Ex_ueg -0.3847747E-01 Ec_ueg -0.5876309E-02 Delta_ex -0.4733215E-01 Delta_ec 0.1355235E-01 Delta_et -0.1720799E+00 Pxc 0.6547898E+01 Qxc -0.3492542E+01 3,-1 146 3 -1 2.748478 1.903728 0.759755 Rho 0.1418852E+00 |GRAD(Rho)| 0.4133229E-14 GRAD(Rho)x -0.3805685E-15 GRAD(Rho)y -0.3770720E-14 GRAD(Rho)z 0.1649370E-14 Laplacian 0.5938572E+00 (-1/4)Del**2(Rho)) -0.1484643E+00 Diamond 0.1152817E+01 Metallicity 0.4478778E+01 Ellipticity 0.1337475E-01 Gb(Abramov) 0.2097993E+00 Vb(Abramov) -0.2711343E+00 Hb(Abramov) -0.6133501E-01 Ex_ueg -0.5465557E-01 Ec_ueg -0.7926090E-02 Delta_ex -0.6320300E-01 Delta_ec 0.1579522E-01 Delta_et -0.2096952E+00 Pxc 0.6895654E+01 Qxc -0.4001401E+01 3,-1 147 3 -1 2.947571 0.391472 -1.608681 Rho 0.1542277E+00 |GRAD(Rho)| 0.2193896E-15 GRAD(Rho)x 0.7815742E-16 GRAD(Rho)y -0.1758576E-15 GRAD(Rho)z -0.1053438E-15 Laplacian 0.6311355E+00 (-1/4)Del**2(Rho)) -0.1577839E+00 Diamond 0.1315503E+01 Metallicity 0.4842779E+01 Ellipticity 0.1626186E-01 Gb(Abramov) 0.2325413E+00 Vb(Abramov) -0.3072988E+00 Hb(Abramov) -0.7475745E-01 Ex_ueg -0.6108506E-01 Ec_ueg -0.8714697E-02 Delta_ex -0.6817720E-01 Delta_ec 0.1578428E-01 Delta_et -0.2106355E+00 Pxc 0.7009431E+01 Qxc -0.4319309E+01 3,-1 148 3 -1 2.552662 -0.375208 2.773242 Rho 0.1273933E+00 |GRAD(Rho)| 0.1843611E-12 GRAD(Rho)x 0.1026507E-12 GRAD(Rho)y -0.4979968E-13 GRAD(Rho)z -0.1448166E-12 Laplacian 0.5174759E+00 (-1/4)Del**2(Rho)) -0.1293690E+00 Diamond 0.8837991E+00 Metallicity 0.4295039E+01 Ellipticity 0.4754680E-02 Gb(Abramov) 0.1788535E+00 Vb(Abramov) -0.2283379E+00 Hb(Abramov) -0.4948448E-01 Ex_ueg -0.4734205E-01 Ec_ueg -0.7012478E-02 Delta_ex -0.5368065E-01 Delta_ec 0.1414731E-01 Delta_et -0.1845722E+00 Pxc 0.6751115E+01 Qxc -0.3794408E+01 3,-1 149 3 -1 3.031106 0.373598 1.609210 Rho 0.1172824E+00 |GRAD(Rho)| 0.2485129E-15 GRAD(Rho)x 0.7994975E-16 GRAD(Rho)y -0.2232372E-15 GRAD(Rho)z 0.7437627E-16 Laplacian 0.5004828E+00 (-1/4)Del**2(Rho)) -0.1251207E+00 Diamond 0.7769703E+00 Metallicity 0.3869117E+01 Ellipticity 0.2304605E-01 Gb(Abramov) 0.1640983E+00 Vb(Abramov) -0.2030758E+00 Hb(Abramov) -0.3897755E-01 Ex_ueg -0.4239963E-01 Ec_ueg -0.6383360E-02 Delta_ex -0.5095221E-01 Delta_ec 0.1402305E-01 Delta_et -0.1803917E+00 Pxc 0.6642212E+01 Qxc -0.3633462E+01 3,-1 150 3 +1 0.551093 2.607753 0.778167 Rho 0.2314069E-01 |GRAD(Rho)| 0.1145723E-13 GRAD(Rho)x -0.6916336E-14 GRAD(Rho)y 0.4693272E-14 GRAD(Rho)z 0.7836177E-14 Laplacian 0.8233946E-01 (-1/4)Del**2(Rho)) -0.2058486E-01 Diamond 0.9310299E-02 Metallicity 0.1572651E+01 Ellipticity -0.3904622E+01 Gb(Abramov) 0.1911871E-01 Vb(Abramov) -0.1765256E-01 Hb(Abramov) 0.1466154E-02 Ex_ueg -0.4870275E-02 Ec_ueg -0.9955641E-03 Delta_ex -0.4971892E-02 Delta_ec 0.1317224E-02 Delta_et -0.1143110E-01 Pxc 0.4891975E+01 Qxc -0.3774523E+01 3,+1 151 3 -1 3.252480 3.187663 0.019018 Rho 0.1934774E+00 |GRAD(Rho)| 0.3828340E-14 GRAD(Rho)x -0.2187269E-14 GRAD(Rho)y 0.2619703E-14 GRAD(Rho)z -0.1734703E-14 Laplacian 0.7306836E+00 (-1/4)Del**2(Rho)) -0.1826709E+00 Diamond 0.2009772E+01 Metallicity 0.6103809E+01 Ellipticity 0.4732207E-02 Gb(Abramov) 0.3076120E+00 Vb(Abramov) -0.4325531E+00 Hb(Abramov) -0.1249411E+00 Ex_ueg -0.8264668E-01 Ec_ueg -0.1128271E-01 Delta_ex -0.8361910E-01 Delta_ec 0.1735248E-01 Delta_et -0.2378714E+00 Pxc 0.7325071E+01 Qxc -0.4818855E+01 3,-1 152 3 -1 -2.101539 1.446018 -2.147991 Rho 0.3154545E+00 |GRAD(Rho)| 0.1125541E-14 GRAD(Rho)x 0.1108147E-15 GRAD(Rho)y 0.1092619E-14 GRAD(Rho)z -0.2464665E-15 Laplacian -0.1575187E+01 (-1/4)Del**2(Rho)) 0.3937969E+00 Diamond 0.5463999E+01 Metallicity -0.6395025E+01 Ellipticity 0.6246762E-02 Gb(Abramov) 0.1571922E+00 Vb(Abramov) -0.7081812E+00 Hb(Abramov) -0.5509890E+00 Ex_ueg -0.1585991E+00 Ec_ueg -0.1981131E-01 Delta_ex 0.1557876E+00 Delta_ec 0.5530579E-01 Delta_et -0.1303888E+01 Pxc 0.8005483E+01 Qxc 0.2816840E+01 3,-1 153 3 -1 1.183895 -0.085258 3.626254 Rho 0.1234714E+00 |GRAD(Rho)| 0.1723457E-15 GRAD(Rho)x 0.1721171E-15 GRAD(Rho)y -0.7425091E-17 GRAD(Rho)z -0.4860275E-17 Laplacian 0.5102596E+00 (-1/4)Del**2(Rho)) -0.1275649E+00 Diamond 0.8351300E+00 Metallicity 0.4134590E+01 Ellipticity 0.1342283E-01 Gb(Abramov) 0.1729480E+00 Vb(Abramov) -0.2183312E+00 Hb(Abramov) -0.4538313E-01 Ex_ueg -0.4540881E-01 Ec_ueg -0.6767617E-02 Delta_ex -0.5248535E-01 Delta_ec 0.1395516E-01 Delta_et -0.1809129E+00 Pxc 0.6709719E+01 Qxc -0.3760999E+01 3,-1 154 3 -1 2.507760 -0.320078 -2.749345 Rho 0.1498596E+00 |GRAD(Rho)| 0.1530268E-15 GRAD(Rho)x 0.1837723E-16 GRAD(Rho)y 0.1278410E-15 GRAD(Rho)z -0.8207410E-16 Laplacian 0.5872872E+00 (-1/4)Del**2(Rho)) -0.1468218E+00 Diamond 0.1189554E+01 Metallicity 0.4961012E+01 Ellipticity 0.3000245E-01 Gb(Abramov) 0.2192787E+00 Vb(Abramov) -0.2917355E+00 Hb(Abramov) -0.7245686E-01 Ex_ueg -0.5878924E-01 Ec_ueg -0.8434528E-02 Delta_ex -0.6306212E-01 Delta_ec 0.1491773E-01 Delta_et -0.1985895E+00 Pxc 0.6970069E+01 Qxc -0.4227327E+01 3,-1 155 3 -1 3.202646 -0.785010 -0.929326 Rho 0.1504318E+00 |GRAD(Rho)| 0.1428810E-15 GRAD(Rho)x 0.1086676E-15 GRAD(Rho)y -0.6595337E-16 GRAD(Rho)z -0.6524187E-16 Laplacian 0.6184987E+00 (-1/4)Del**2(Rho)) -0.1546247E+00 Diamond 0.1255390E+01 Metallicity 0.4740679E+01 Ellipticity 0.1641246E-01 Gb(Abramov) 0.2252541E+00 Vb(Abramov) -0.2958836E+00 Hb(Abramov) -0.7062944E-01 Ex_ueg -0.5908873E-01 Ec_ueg -0.8471163E-02 Delta_ex -0.6644474E-01 Delta_ec 0.1564019E-01 Delta_et -0.2081892E+00 Pxc 0.6975280E+01 Qxc -0.4248333E+01 3,-1 156 3 -1 3.212494 -0.819056 0.851840 Rho 0.1142244E+00 |GRAD(Rho)| 0.3432616E-12 GRAD(Rho)x -0.2761148E-13 GRAD(Rho)y 0.3798811E-13 GRAD(Rho)z 0.3400339E-12 Laplacian 0.4946153E+00 (-1/4)Del**2(Rho)) -0.1236538E+00 Diamond 0.7487757E+00 Metallicity 0.3746368E+01 Ellipticity 0.7829988E-02 Gb(Abramov) 0.1596447E+00 Vb(Abramov) -0.1956355E+00 Hb(Abramov) -0.3599084E-01 Ex_ueg -0.4093205E-01 Ec_ueg -0.6194493E-02 Delta_ex -0.5011379E-01 Delta_ec 0.1406827E-01 Delta_et -0.1802682E+00 Pxc 0.6607813E+01 Qxc -0.3562185E+01 3,-1 157 3 -1 3.936097 -0.601778 -2.271282 Rho 0.2177222E+00 |GRAD(Rho)| 0.1461607E-13 GRAD(Rho)x -0.1446022E-13 GRAD(Rho)y 0.1682248E-14 GRAD(Rho)z 0.1304485E-14 Laplacian 0.7916117E+00 (-1/4)Del**2(Rho)) -0.1979029E+00 Diamond 0.2504252E+01 Metallicity 0.6859180E+01 Ellipticity 0.1593162E-02 Gb(Abramov) 0.3581772E+00 Vb(Abramov) -0.5184515E+00 Hb(Abramov) -0.1602743E+00 Ex_ueg -0.9673613E-01 Ec_ueg -0.1291272E-01 Delta_ex -0.9333929E-01 Delta_ec 0.1814203E-01 Delta_et -0.2507553E+00 Pxc 0.7491535E+01 Qxc -0.5144920E+01 3,-1 158 3 -1 3.975985 -0.742038 2.225590 Rho 0.1949345E+00 |GRAD(Rho)| 0.5022200E-14 GRAD(Rho)x -0.1432014E-14 GRAD(Rho)y -0.4764737E-14 GRAD(Rho)z 0.6849176E-15 Laplacian 0.7320640E+00 (-1/4)Del**2(Rho)) -0.1830160E+00 Diamond 0.2034153E+01 Metallicity 0.6168958E+01 Ellipticity 0.1425112E-02 Gb(Abramov) 0.3101803E+00 Vb(Abramov) -0.4373447E+00 Hb(Abramov) -0.1271643E+00 Ex_ueg -0.8347759E-01 Ec_ueg -0.1137975E-01 Delta_ex -0.8395347E-01 Delta_ec 0.1737953E-01 Delta_et -0.2384999E+00 Pxc 0.7335628E+01 Qxc -0.4830594E+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 69 111 124 95 138 126 112 116 82 71 109 90 123 92 139 156 149 144 148 158 117 69 77 76 102 151 136 145 146 140 141 120 115 86 96 104 153 103 94 125 127 80 113 85 147 155 154 143 157 106 105 70 88 121 89 118 65 61 49 50 57 87 97 114 59 135 54 152 58 55 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 14 15 16 17 18 19 21 23 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 21 23 28 36 36 36 26 20 45 46 45 46 2.340989 1.893693 1.777449 2.119120 2.027550 1.787944 1.782913 2.452631 1.858232 1.990605 2.143565 2.122070 1.836374 2.566643 2.016164 2.009183 1.961325 1.985043 1.822925 2.386986 1.949478 1.807155 2.060394 1.938758 1.825734 2.511310 2.035679 1.935228 2.102355 1.928914 1.821927 2.467309 2.013666 1.964314 2.070170 1.996736 2.374764 1.783066 2.038854 1.918321 2.047827 1.788884 2.563268 1.907037 1.916303 1.926363 1.903544 1.780656 2.410021 1.979634 1.991310 1.776344 1.882988 1.877779 1.778702 3.226594 3.319864 3.111017 3.229399 3.214984 1.647104 1.760611 1.757579 3.198813 3.233757 1.014500 1.000623 1.693042 1.762846 2.342418 1.894148 1.777521 2.119532 2.027982 1.787963 1.782931 2.454497 1.858270 1.990728 2.143848 2.122350 1.836381 2.568707 2.016452 2.009350 1.961605 1.985254 1.822933 2.388653 1.949895 1.807275 2.060781 1.939248 1.825737 2.513504 2.035907 1.935426 2.102605 1.929142 1.821931 2.469320 2.014228 1.964584 2.070419 1.996979 2.376411 1.783184 2.039109 1.918677 2.048209 1.788905 2.564594 1.907408 1.916647 1.926813 1.904020 1.780660 2.411666 1.980165 1.992291 1.776348 1.883349 1.878148 1.778718 3.265659 3.375133 3.149045 3.262030 3.243906 1.647119 1.760644 1.757604 3.214110 3.235887 1.014557 1.000683 1.695052 1.766955 28 27 24 29 28 24 24 29 24 25 26 30 24 33 24 25 24 25 25 28 27 26 26 25 24 30 25 25 29 28 25 29 26 27 25 25 28 25 29 27 25 25 29 25 25 24 28 24 29 24 28 25 27 27 24 35 35 35 35 35 23 24 24 35 35 20 18 25 24 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 W O Ta Ta W Ta Ta O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.3020 -0.9206 2.0035 2.1176 2.3056 2.1236 2.1025 -1.0159 -1.0070 2.2767 2.3507 2.3649 -1.0894 -0.9324 -1.0841 -1.0818 -0.8760 -0.9918 -0.9198 -0.9941 -0.8635 -1.0014 -1.0163 -0.9861 -1.0396 -0.8727 -1.0339 -0.9172 -1.0229 -0.9069 -1.0064 -1.0356 -1.0171 -1.0057 -1.0538 2.2169 -0.9345 -1.0615 -1.0223 -1.0624 -0.9302 -0.9304 -1.0288 -1.0126 0.2532 0.2578 2.1463 1.9428 2.1617 2.1354 2.1403 2.1307 2.1442 1.9295 1.9297 2.1569 2.1233 2.1353 1.9307 1.9476 1.9315 1.9323 1.9447 1.9248 1.8623 1.9251 1.8676 1.9235 1.9277 1.9269 1.9187 1.9451 1.9198 1.9441 1.9304 1.9446 1.9330 1.9296 1.9318 1.9346 1.9260 0.9045 1.9403 1.9231 1.9311 1.9245 1.9416 1.9432 1.9268 1.9302 0.5841 0.5869 6.1136 4.9492 6.1191 6.0955 6.1210 6.0873 6.1039 5.0638 5.0544 6.1235 6.1089 6.1105 5.1266 4.9536 5.1220 5.1189 4.9020 5.0392 5.0319 5.0428 4.9673 5.0517 5.0644 5.0313 5.0966 4.8981 5.0900 4.9435 5.0654 4.9330 5.0450 5.0794 5.0586 5.0440 5.1038 1.3390 4.9665 5.1139 5.0626 5.1147 4.9606 4.9584 5.0804 5.0595 0.1627 0.1553 3.4088 0.0285 2.6820 2.6166 3.4034 2.6235 2.6149 0.0226 0.0229 3.4134 3.3870 3.3597 0.0321 0.0312 0.0306 0.0306 0.0293 0.0279 0.0256 0.0262 0.0286 0.0262 0.0241 0.0279 0.0243 0.0296 0.0241 0.0296 0.0272 0.0293 0.0284 0.0266 0.0267 0.0271 0.0240 10.5397 0.0277 0.0245 0.0287 0.0232 0.0279 0.0288 0.0216 0.0229 0.0000 0.0000 14.0293 0.0000 14.0337 14.0349 14.0297 14.0348 14.0345 0.0000 0.0000 14.0295 14.0301 14.0296 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 W O Ta Ta W Ta Ta O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.472164 -0.995053 2.320513 2.350341 2.475888 2.345870 2.354625 -1.132096 -1.125008 2.471503 2.481640 2.491099 -1.087803 -1.020588 -1.098464 -1.097216 -0.959030 -1.012600 -0.784225 -1.041650 -0.718136 -1.048706 -1.022605 -1.015732 -1.084940 -0.948403 -1.085356 -0.911206 -1.048894 -0.979507 -1.035856 -1.060152 -1.048231 -1.034174 -1.093704 2.276516 -1.014837 -1.105312 -1.034386 -1.116685 -1.005374 -1.002435 -1.161105 -1.127336 -0.000853 0.017498 1.941763 -0.935483 1.836102 1.825782 1.918354 1.825922 1.870055 -1.102221 -1.085839 1.944314 1.908475 1.951785 -0.677486 -0.852835 -0.692464 -0.689723 -0.873817 -0.742802 -0.991557 -0.786924 -0.911494 -0.798962 -0.992861 -0.748282 -0.845885 -0.870315 -0.847559 -0.839683 -0.889894 -0.906223 -0.878461 -0.885533 -0.896062 -0.865410 -0.933185 1.798234 -0.960157 -0.940243 -0.867172 -0.971000 -0.950024 -0.947528 -1.129238 -1.101008 0.295846 0.290698 2.043758 -0.907880 1.957725 1.956806 2.029969 1.943291 1.993451 -1.069172 -1.066940 2.047035 2.030148 2.065717 -0.763732 -0.788825 -0.798071 -0.786275 -0.878698 -0.848106 -1.001702 -0.876839 -0.920077 -0.899843 -1.056179 -0.848377 -0.943362 -0.868776 -0.942086 -0.884490 -0.920490 -0.884300 -0.906933 -0.940607 -0.925985 -0.909860 -0.981526 1.733477 -0.930900 -0.988971 -0.925776 -1.007398 -0.922477 -0.907659 -1.107529 -1.063182 0.343403 0.328243 -36.98178388 -10.18975172 -13.17677580 40.55996548 104.96912870 27.47392731 -1.12278648 -44.58264650 -20.75458816 -60.38648220 -298.7896 359.5617 64.1038 -386.0673 -150.1056 -411.2969 Jun19-2024 21:41:39 Nodes: 1 Procs: 1 Jun19-2024 21:41:41 Nodes: 1 Procs: 1 0 Jun19-2024 21:41:44 Nodes: 1 Procs: 1 Jun19-2024 21:41:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:41:48 Nodes: 1 Procs: 1 Jun19-2024 21:41:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:41:56 Nodes: 1 Procs: 1 Jun19-2024 21:41:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:41:59 Nodes: 1 Procs: 1 Jun19-2024 21:42:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 21:42:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -11 -14.59489265 -14.86144839 -14.96415118 -15.04100585 -15.06516708 -15.07667588 -15.09049367 -15.09592028 -15.09997024 -15.10512707 -15.10671979 -15.10812566 -15.10983563 -15.11006736 -15.11031024 -15.11036942 -15.11033401 -15.11036403 -15.11039974 -15.11043454 -15.11064030 -15.11086274 -15.11070623 -15.11133615 -15.11180058 -15.08526869 -15.11136840 -15.11365738 -15.11443618 -15.11465388 -15.11476612 -15.11493031 -15.11494721 -15.11489393 -15.11467888 -15.11489343 -15.11490672 -15.11488384 GEOMETRY CONVERGED