ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.40 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 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.05 1.42 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 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Apr19-2024 15:43:04 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Apr19-2024 15:43:04 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:07 Hydrogen (TZP) kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.04 1.42 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 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Apr19-2024 15:43:04 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr19-2024 15:43:07 Nodes: 1 Procs: 1 Apr19-2024 15:43:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 15:43:10 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2223.7291609999997 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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 Apr19-2024 15:43:08 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr19-2024 15:43:06 1 1 Oxygen TZP 1s t21.Ta ADF 2019 Apr19-2024 15:43:04 1 1 Tantalum TZP 4d t21.P ADF 2019 Apr19-2024 15:43:03 1 1 Phosphorus TZP 1s t21.H ADF 2019 Apr19-2024 15:43:02 1 1 Hydrogen TZP 1 1 -14.97177902 0.81397744 0.00100000 F 0.10166876 0.00066667 F 0.81397744 0.10166876 0.26020356 0.01000000 F 0.04577535 0.00666667 F Cartesian 2223.7291609999997 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0.750548 -4.775711 2.567435 Rho 0.3190860E+03 3,-3 35 3 -3 1.931606 -0.093263 3.462812 Rho 0.3188894E+03 3,-3 36 3 -3 0.210515 -2.017350 -3.526104 Rho 0.3188775E+03 3,-3 37 3 -3 1.366157 3.537095 1.316740 Rho 0.3189244E+03 3,-3 38 3 -3 0.709755 -4.672506 -2.625547 Rho 0.3191861E+03 3,-3 39 3 -3 4.652194 -0.701111 -2.564161 Rho 0.3192027E+03 3,-3 40 3 -3 -0.914270 4.415436 2.799043 Rho 0.3192436E+03 3,-3 41 3 -3 4.667880 -0.664852 2.581910 Rho 0.3190797E+03 3,-3 42 3 -3 2.991880 -0.607018 1.923250 Rho 0.3882647E+07 3,-3 43 3 -3 0.575026 -3.124055 1.877707 Rho 0.3882647E+07 3,-3 44 3 -3 -0.163262 0.000364 -0.008387 Rho 0.2439615E+04 3,-3 45 3 -3 -2.089269 1.295928 1.110137 Rho 0.4312166E+00 3,-3 46 3 -3 -2.088499 1.279967 -1.078726 Rho 0.4267454E+00 3,-3 47 3 -3 -1.453400 -3.011360 0.325752 Rho 0.4497164E+00 3,-3 48 3 +1 0.564554 -1.800342 -0.002841 Rho 0.7453280E-02 |GRAD(Rho)| 0.6851298E-17 GRAD(Rho)x -0.3898893E-17 GRAD(Rho)y 0.4564502E-17 GRAD(Rho)z 0.3302158E-17 Laplacian 0.3034571E-01 (-1/4)Del**2(Rho)) -0.7586429E-02 Diamond 0.7069201E-03 Metallicity 0.6457952E+00 Ellipticity -0.1403128E+01 Gb(Abramov) 0.5874166E-02 Vb(Abramov) -0.4161903E-02 Hb(Abramov) 0.1712263E-02 Ex_ueg -0.1075264E-02 Ec_ueg -0.2539685E-03 Delta_ex -0.1358353E-02 Delta_ec 0.4645924E-03 Delta_et -0.3028470E-02 Pxc 0.4233846E+01 Qxc -0.2923753E+01 3,+1 49 3 +1 -0.525873 -3.170984 -0.098594 Rho 0.1293067E-01 |GRAD(Rho)| 0.1011205E-13 GRAD(Rho)x 0.5803992E-14 GRAD(Rho)y -0.9811335E-15 GRAD(Rho)z -0.8222203E-14 Laplacian 0.5763926E-01 (-1/4)Del**2(Rho)) -0.1440982E-01 Diamond 0.2587417E-02 Metallicity 0.8516537E+00 Ellipticity -0.1420489E+01 Gb(Abramov) 0.1165191E-01 Vb(Abramov) -0.8893996E-02 Hb(Abramov) 0.2757910E-02 Ex_ueg -0.2241539E-02 Ec_ueg -0.5027006E-03 Delta_ex -0.2897226E-02 Delta_ec 0.7614766E-03 Delta_et -0.5804878E-02 Pxc 0.4458995E+01 Qxc -0.3804747E+01 3,+1 50 3 -1 -1.377976 -3.059713 -0.298378 Rho 0.3369566E-01 |GRAD(Rho)| 0.1677747E-15 GRAD(Rho)x -0.1271967E-15 GRAD(Rho)y 0.3557044E-17 GRAD(Rho)z 0.1093466E-15 Laplacian 0.1051377E+00 (-1/4)Del**2(Rho)) -0.2628442E-01 Diamond 0.4516552E-01 Metallicity 0.2303977E+01 Ellipticity 0.1660764E-01 Gb(Abramov) 0.2761606E-01 Vb(Abramov) -0.2894770E-01 Hb(Abramov) -0.1331642E-02 Ex_ueg -0.8038043E-02 Ec_ueg -0.1535762E-02 Delta_ex -0.8868105E-02 Delta_ec 0.4964233E-02 Delta_et -0.4710187E-01 Pxc 0.5233912E+01 Qxc -0.1786400E+01 3,-1 51 3 +1 -1.296743 -1.777774 -0.156389 Rho 0.3686356E-02 |GRAD(Rho)| 0.4822594E-18 GRAD(Rho)x 0.4057288E-18 GRAD(Rho)y 0.4065758E-19 GRAD(Rho)z -0.2574980E-18 Laplacian 0.1354178E-01 (-1/4)Del**2(Rho)) -0.3385446E-02 Diamond 0.1516598E-03 Metallicity 0.4476440E+00 Ellipticity -0.1370961E+01 Gb(Abramov) 0.2509543E-02 Vb(Abramov) -0.1633640E-02 Hb(Abramov) 0.8759029E-03 Ex_ueg -0.4205795E-03 Ec_ueg -0.9082690E-04 Delta_ex -0.5547679E-03 Delta_ec 0.2819181E-03 Delta_et -0.1456467E-02 Pxc 0.4630561E+01 Qxc -0.1967834E+01 3,+1 52 3 +1 1.492010 1.474231 -2.148211 Rho 0.4774637E-02 |GRAD(Rho)| 0.8896022E-17 GRAD(Rho)x 0.6714065E-17 GRAD(Rho)y 0.2459236E-17 GRAD(Rho)z 0.5292702E-17 Laplacian 0.1944034E-01 (-1/4)Del**2(Rho)) -0.4860084E-02 Diamond 0.4472379E-03 Metallicity 0.4798917E+00 Ellipticity -0.3709038E+01 Gb(Abramov) 0.3628775E-02 Vb(Abramov) -0.2397466E-02 Hb(Abramov) 0.1231309E-02 Ex_ueg -0.5937982E-03 Ec_ueg -0.1372274E-03 Delta_ex -0.9788941E-03 Delta_ec 0.6494265E-03 Delta_et -0.3463256E-02 Pxc 0.4327110E+01 Qxc -0.1507321E+01 3,+1 53 3 +3 -1.438181 1.977837 -0.002390 Rho 0.6745583E-02 |GRAD(Rho)| 0.8892026E-17 GRAD(Rho)x 0.6433168E-17 GRAD(Rho)y 0.1503989E-17 GRAD(Rho)z -0.5951512E-17 Laplacian 0.2932882E-01 (-1/4)Del**2(Rho)) -0.7332205E-02 Diamond 0.3861254E-03 Metallicity 0.5658279E+00 Ellipticity -0.6245443E+00 Gb(Abramov) 0.5579598E-02 Vb(Abramov) -0.3826990E-02 Hb(Abramov) 0.1752607E-02 Ex_ueg -0.9413353E-03 Ec_ueg -0.2227888E-03 Delta_ex -0.1150023E-02 Delta_ec 0.2148697E-03 Delta_et -0.1549947E-02 Pxc 0.4225235E+01 Qxc -0.5352188E+01 3,+3 54 3 -1 -0.701730 3.808989 2.312583 Rho 0.2345888E+00 |GRAD(Rho)| 0.1035966E-13 GRAD(Rho)x 0.5674850E-14 GRAD(Rho)y -0.5386750E-14 GRAD(Rho)z -0.6789816E-14 Laplacian 0.8650879E+00 (-1/4)Del**2(Rho)) -0.2162720E+00 Diamond 0.2973255E+01 Metallicity 0.7107742E+01 Ellipticity 0.6468242E-02 Gb(Abramov) 0.4003822E+00 Vb(Abramov) -0.5844925E+00 Hb(Abramov) -0.1841102E+00 Ex_ueg -0.1068550E+00 Ec_ueg -0.1406585E-01 Delta_ex -0.1038812E+00 Delta_ec 0.1920535E-01 Delta_et -0.2656563E+00 Pxc 0.7596764E+01 Qxc -0.5408973E+01 3,-1 55 3 +1 1.467102 -1.438858 -2.904122 Rho 0.1234066E-01 |GRAD(Rho)| 0.2484376E-16 GRAD(Rho)x 0.1977336E-16 GRAD(Rho)y 0.7094284E-17 GRAD(Rho)z 0.1326263E-16 Laplacian 0.5740546E-01 (-1/4)Del**2(Rho)) -0.1435137E-01 Diamond 0.2123569E-02 Metallicity 0.7910860E+00 Ellipticity -0.1236209E+01 Gb(Abramov) 0.1145977E-01 Vb(Abramov) -0.8568177E-02 Hb(Abramov) 0.2891595E-02 Ex_ueg -0.2106215E-02 Ec_ueg -0.4753176E-03 Delta_ex -0.2768415E-02 Delta_ec 0.6125521E-03 Delta_et -0.4724965E-02 Pxc 0.4431174E+01 Qxc -0.4519476E+01 3,+1 56 3 -1 1.711262 -0.647345 -1.589374 Rho 0.2874057E-01 |GRAD(Rho)| 0.5299449E-14 GRAD(Rho)x 0.4253034E-14 GRAD(Rho)y -0.1753388E-14 GRAD(Rho)z -0.2630873E-14 Laplacian 0.1057927E+00 (-1/4)Del**2(Rho)) -0.2644819E-01 Diamond 0.2377044E-01 Metallicity 0.1756506E+01 Ellipticity 0.8774873E-01 Gb(Abramov) 0.2537486E-01 Vb(Abramov) -0.2430153E-01 Hb(Abramov) 0.1073328E-02 Ex_ueg -0.6501980E-02 Ec_ueg -0.1278829E-02 Delta_ex -0.7462175E-02 Delta_ec 0.2922965E-02 Delta_et -0.2654436E-01 Pxc 0.5084322E+01 Qxc -0.2552947E+01 3,-1 57 3 +3 -0.925924 0.715948 1.688495 Rho 0.4727717E-02 |GRAD(Rho)| 0.8230146E-11 GRAD(Rho)x -0.3257206E-11 GRAD(Rho)y 0.3210286E-11 GRAD(Rho)z 0.6842512E-11 Laplacian 0.1932098E-01 (-1/4)Del**2(Rho)) -0.4830245E-02 Diamond 0.1398089E-03 Metallicity 0.4749740E+00 Ellipticity -0.4655629E+00 Gb(Abramov) 0.3602537E-02 Vb(Abramov) -0.2374829E-02 Hb(Abramov) 0.1227708E-02 Ex_ueg -0.5860307E-03 Ec_ueg -0.1352142E-03 Delta_ex -0.6720980E-03 Delta_ec 0.1116228E-03 Delta_et -0.7981009E-03 Pxc 0.4334090E+01 Qxc -0.6021152E+01 3,+3 58 3 +1 2.091707 -2.103951 0.017022 Rho 0.4341590E-02 |GRAD(Rho)| 0.1065407E-16 GRAD(Rho)x -0.7008010E-17 GRAD(Rho)y -0.7953282E-17 GRAD(Rho)z 0.1068772E-17 Laplacian 0.1728132E-01 (-1/4)Del**2(Rho)) -0.4320331E-02 Diamond 0.3427264E-03 Metallicity 0.4607347E+00 Ellipticity -0.3077741E+01 Gb(Abramov) 0.3211975E-02 Vb(Abramov) -0.2103619E-02 Hb(Abramov) 0.1108356E-02 Ex_ueg -0.5230985E-03 Ec_ueg -0.1186897E-03 Delta_ex -0.8468671E-03 Delta_ec 0.5629244E-03 Delta_et -0.2922368E-02 Pxc 0.4407278E+01 Qxc -0.1504406E+01 3,+1 59 3 +1 0.324427 -1.567081 2.226443 Rho 0.2171542E-01 |GRAD(Rho)| 0.5854873E-16 GRAD(Rho)x -0.6391178E-17 GRAD(Rho)y -0.4298195E-16 GRAD(Rho)z 0.3923848E-16 Laplacian 0.8101455E-01 (-1/4)Del**2(Rho)) -0.2025364E-01 Diamond 0.8344026E-02 Metallicity 0.1437685E+01 Ellipticity -0.2941300E+01 Gb(Abramov) 0.1835548E-01 Vb(Abramov) -0.1645733E-01 Hb(Abramov) 0.1898154E-02 Ex_ueg -0.4474480E-02 Ec_ueg -0.9248065E-03 Delta_ex -0.4803008E-02 Delta_ec 0.1284635E-02 Delta_et -0.1098088E-01 Pxc 0.4838288E+01 Qxc -0.3738811E+01 3,+1 60 3 -1 1.023980 -0.073398 -3.480105 Rho 0.9428373E-01 |GRAD(Rho)| 0.4599390E-15 GRAD(Rho)x -0.4587124E-15 GRAD(Rho)y -0.1401861E-16 GRAD(Rho)z -0.3050081E-16 Laplacian 0.3818547E+00 (-1/4)Del**2(Rho)) -0.9546369E-01 Diamond 0.4388291E+00 Metallicity 0.3524598E+01 Ellipticity 0.9195058E-02 Gb(Abramov) 0.1197210E+00 Vb(Abramov) -0.1439783E+00 Hb(Abramov) -0.2425729E-01 Ex_ueg -0.3169330E-01 Ec_ueg -0.4980102E-02 Delta_ex -0.3664305E-01 Delta_ec 0.1066957E-01 Delta_et -0.1308418E+00 Pxc 0.6363986E+01 Qxc -0.3434352E+01 3,-1 61 3 +3 -0.838757 -1.833288 -0.070793 Rho 0.3585689E-02 |GRAD(Rho)| 0.1172007E-14 GRAD(Rho)x 0.9356309E-15 GRAD(Rho)y 0.7008994E-15 GRAD(Rho)z 0.8327181E-16 Laplacian 0.1390436E-01 (-1/4)Del**2(Rho)) -0.3476090E-02 Diamond 0.1122621E-03 Metallicity 0.4163097E+00 Ellipticity -0.8121904E+00 Gb(Abramov) 0.2558582E-02 Vb(Abramov) -0.1641073E-02 Hb(Abramov) 0.9175083E-03 Ex_ueg -0.4053361E-03 Ec_ueg -0.8656637E-04 Delta_ex -0.5116816E-03 Delta_ec 0.1919267E-03 Delta_et -0.1044720E-02 Pxc 0.4682373E+01 Qxc -0.2666026E+01 3,+3 62 3 -1 0.004670 -1.186998 3.550178 Rho 0.1484843E+00 |GRAD(Rho)| 0.5545074E-15 GRAD(Rho)x 0.8243325E-16 GRAD(Rho)y -0.5423450E-15 GRAD(Rho)z -0.8090181E-16 Laplacian 0.5687017E+00 (-1/4)Del**2(Rho)) -0.1421754E+00 Diamond 0.1148413E+01 Metallicity 0.5045018E+01 Ellipticity 0.1881295E-01 Gb(Abramov) 0.2143299E+00 Vb(Abramov) -0.2864843E+00 Hb(Abramov) -0.7215445E-01 Ex_ueg -0.5807096E-01 Ec_ueg -0.8346556E-02 Delta_ex -0.6102110E-01 Delta_ec 0.1464436E-01 Delta_et -0.1950744E+00 Pxc 0.6957475E+01 Qxc -0.4166868E+01 3,-1 63 3 -1 0.319487 -2.507162 -2.741191 Rho 0.1297865E+00 |GRAD(Rho)| 0.4991685E-13 GRAD(Rho)x -0.3521263E-13 GRAD(Rho)y -0.1642377E-13 GRAD(Rho)z 0.3133724E-13 Laplacian 0.5148257E+00 (-1/4)Del**2(Rho)) -0.1287064E+00 Diamond 0.8807677E+00 Metallicity 0.4453163E+01 Ellipticity 0.3223097E-01 Gb(Abramov) 0.1813294E+00 Vb(Abramov) -0.2339524E+00 Hb(Abramov) -0.5262298E-01 Ex_ueg -0.4853156E-01 Ec_ueg -0.7162405E-02 Delta_ex -0.5342145E-01 Delta_ec 0.1361684E-01 Delta_et -0.1775060E+00 Pxc 0.6775875E+01 Qxc -0.3923190E+01 3,-1 64 3 -1 0.445516 -1.849901 -1.556446 Rho 0.3717905E-01 |GRAD(Rho)| 0.7626642E-14 GRAD(Rho)x -0.1207323E-14 GRAD(Rho)y -0.7178158E-14 GRAD(Rho)z -0.2276419E-14 Laplacian 0.1405734E+00 (-1/4)Del**2(Rho)) -0.3514335E-01 Diamond 0.4721313E-01 Metallicity 0.2030208E+01 Ellipticity 0.2563677E-01 Gb(Abramov) 0.3532028E-01 Vb(Abramov) -0.3549721E-01 Hb(Abramov) -0.1769338E-03 Ex_ueg -0.9164654E-02 Ec_ueg -0.1719519E-02 Delta_ex -0.1072098E-01 Delta_ec 0.4149072E-02 Delta_et -0.4042268E-01 Pxc 0.5329777E+01 Qxc -0.2583947E+01 3,-1 65 3 -1 0.515138 -1.862545 1.531200 Rho 0.3309608E-01 |GRAD(Rho)| 0.1720922E-15 GRAD(Rho)x -0.1564536E-17 GRAD(Rho)y 0.1703371E-15 GRAD(Rho)z -0.2446549E-16 Laplacian 0.1350784E+00 (-1/4)Del**2(Rho)) -0.3376960E-01 Diamond 0.4202076E-01 Metallicity 0.1740423E+01 Ellipticity 0.1777619E-01 Gb(Abramov) 0.3230864E-01 Vb(Abramov) -0.3084767E-01 Hb(Abramov) 0.1460970E-02 Ex_ueg -0.7847906E-02 Ec_ueg -0.1504385E-02 Delta_ex -0.1025742E-01 Delta_ec 0.4428653E-02 Delta_et -0.4179703E-01 Pxc 0.5216689E+01 Qxc -0.2316150E+01 3,-1 66 3 -1 0.314669 -2.562379 2.739664 Rho 0.1191682E+00 |GRAD(Rho)| 0.3327614E-12 GRAD(Rho)x 0.8155640E-13 GRAD(Rho)y -0.1757683E-12 GRAD(Rho)z -0.2705258E-12 Laplacian 0.4962511E+00 (-1/4)Del**2(Rho)) -0.1240628E+00 Diamond 0.7858075E+00 Metallicity 0.4007246E+01 Ellipticity 0.2294512E-01 Gb(Abramov) 0.1655668E+00 Vb(Abramov) -0.2070709E+00 Hb(Abramov) -0.4150408E-01 Ex_ueg -0.4331109E-01 Ec_ueg -0.6500165E-02 Delta_ex -0.5071831E-01 Delta_ec 0.1386559E-01 Delta_et -0.1789081E+00 Pxc 0.6663076E+01 Qxc -0.3657854E+01 3,-1 67 3 +1 0.325704 -1.452552 -2.299623 Rho 0.2486787E-01 |GRAD(Rho)| 0.3801217E-16 GRAD(Rho)x 0.3196414E-17 GRAD(Rho)y 0.9425684E-17 GRAD(Rho)z 0.3668603E-16 Laplacian 0.9871927E-01 (-1/4)Del**2(Rho)) -0.2467982E-01 Diamond 0.1361697E-01 Metallicity 0.1478911E+01 Ellipticity -0.5138475E+01 Gb(Abramov) 0.2253642E-01 Vb(Abramov) -0.2039303E-01 Hb(Abramov) 0.2143395E-02 Ex_ueg -0.5360885E-02 Ec_ueg -0.1082064E-02 Delta_ex -0.6218559E-02 Delta_ec 0.1831303E-02 Delta_et -0.1610752E-01 Pxc 0.4954315E+01 Qxc -0.3395701E+01 3,+1 68 3 +3 1.240831 -1.351196 2.548598 Rho 0.1094701E-01 |GRAD(Rho)| 0.2329879E-11 GRAD(Rho)x 0.2263417E-11 GRAD(Rho)y 0.5054569E-12 GRAD(Rho)z 0.2231401E-12 Laplacian 0.4357816E-01 (-1/4)Del**2(Rho)) -0.1089454E-01 Diamond 0.6979932E-03 Metallicity 0.8534340E+00 Ellipticity -0.5377511E+00 Gb(Abramov) 0.8812655E-02 Vb(Abramov) -0.6730770E-02 Hb(Abramov) 0.2081885E-02 Ex_ueg -0.1795198E-02 Ec_ueg -0.4111800E-03 Delta_ex -0.1816062E-02 Delta_ec 0.7481522E-04 Delta_et -0.9431556E-03 Pxc 0.4365965E+01 Qxc -0.2427397E+02 3,+3 69 3 +1 1.400834 -1.491996 2.850124 Rho 0.1145612E-01 |GRAD(Rho)| 0.2503650E-14 GRAD(Rho)x 0.8094107E-17 GRAD(Rho)y -0.2472333E-14 GRAD(Rho)z -0.3946738E-15 Laplacian 0.4703783E-01 (-1/4)Del**2(Rho)) -0.1175946E-01 Diamond 0.1373668E-02 Metallicity 0.8528948E+00 Ellipticity -0.1197662E+01 Gb(Abramov) 0.9511234E-02 Vb(Abramov) -0.7263012E-02 Hb(Abramov) 0.2248222E-02 Ex_ueg -0.1907372E-02 Ec_ueg -0.4345204E-03 Delta_ex -0.2162615E-02 Delta_ec 0.3937362E-03 Delta_et -0.3089612E-02 Pxc 0.4389603E+01 Qxc -0.5492548E+01 3,+1 70 3 -1 0.669298 -4.011243 2.248597 Rho 0.2080983E+00 |GRAD(Rho)| 0.4958370E-08 GRAD(Rho)x -0.4835394E-09 GRAD(Rho)y 0.4553265E-08 GRAD(Rho)z -0.1902471E-08 Laplacian 0.7746967E+00 (-1/4)Del**2(Rho)) -0.1936742E+00 Diamond 0.2317202E+01 Metallicity 0.6500233E+01 Ellipticity 0.6843443E-02 Gb(Abramov) 0.3389374E+00 Vb(Abramov) -0.4842005E+00 Hb(Abramov) -0.1452632E+00 Ex_ueg -0.9107721E-01 Ec_ueg -0.1226178E-01 Delta_ex -0.9026404E-01 Delta_ec 0.1793605E-01 Delta_et -0.2469886E+00 Pxc 0.7427730E+01 Qxc -0.5032549E+01 3,-1 71 3 -1 0.583730 -3.946239 -2.283180 Rho 0.2265466E+00 |GRAD(Rho)| 0.3647870E-14 GRAD(Rho)x 0.1405248E-14 GRAD(Rho)y 0.3140283E-14 GRAD(Rho)z 0.1212789E-14 Laplacian 0.8288154E+00 (-1/4)Del**2(Rho)) -0.2072038E+00 Diamond 0.2743162E+01 Metallicity 0.6999782E+01 Ellipticity 0.8942512E-02 Gb(Abramov) 0.3798662E+00 Vb(Abramov) -0.5525286E+00 Hb(Abramov) -0.1726624E+00 Ex_ueg -0.1019988E+00 Ec_ueg -0.1351408E-01 Delta_ex -0.9869381E-01 Delta_ec 0.1870768E-01 Delta_et -0.2588681E+00 Pxc 0.7547597E+01 Qxc -0.5275577E+01 3,-1 72 3 -1 1.484936 -2.712957 -2.011986 Rho 0.8749265E-01 |GRAD(Rho)| 0.2557020E-13 GRAD(Rho)x 0.2381183E-13 GRAD(Rho)y 0.8822336E-14 GRAD(Rho)z -0.2999639E-14 Laplacian 0.3508520E+00 (-1/4)Del**2(Rho)) -0.8771299E-01 Diamond 0.3675478E+00 Metallicity 0.3386688E+01 Ellipticity 0.8539215E-03 Gb(Abramov) 0.1079848E+00 Vb(Abramov) -0.1282565E+00 Hb(Abramov) -0.2027176E-01 Ex_ueg -0.2868669E-01 Ec_ueg -0.4573851E-02 Delta_ex -0.3307609E-01 Delta_ec 0.9932286E-02 Delta_et -0.1198885E+00 Pxc 0.6271891E+01 Qxc -0.3330159E+01 3,-1 73 3 -1 1.564701 -2.769715 1.977817 Rho 0.1242921E+00 |GRAD(Rho)| 0.1010801E-15 GRAD(Rho)x -0.3602262E-16 GRAD(Rho)y -0.9028016E-16 GRAD(Rho)z -0.2773186E-16 Laplacian 0.5154255E+00 (-1/4)Del**2(Rho)) -0.1288564E+00 Diamond 0.8517618E+00 Metallicity 0.4138598E+01 Ellipticity 0.3742557E-02 Gb(Abramov) 0.1747850E+00 Vb(Abramov) -0.2207137E+00 Hb(Abramov) -0.4592866E-01 Ex_ueg -0.4581171E-01 Ec_ueg -0.6818773E-02 Delta_ex -0.5311870E-01 Delta_ec 0.1410744E-01 Delta_et -0.1831546E+00 Pxc 0.6718468E+01 Qxc -0.3765297E+01 3,-1 74 3 +3 1.617243 -1.669063 -0.008991 Rho 0.3667506E-02 |GRAD(Rho)| 0.1099012E-16 GRAD(Rho)x -0.6811637E-17 GRAD(Rho)y -0.8615786E-17 GRAD(Rho)z -0.3905120E-18 Laplacian 0.1491885E-01 (-1/4)Del**2(Rho)) -0.3729712E-02 Diamond 0.9968009E-04 Metallicity 0.4028679E+00 Ellipticity -0.2362734E+00 Gb(Abramov) 0.2736905E-02 Vb(Abramov) -0.1744098E-02 Hb(Abramov) 0.9928072E-03 Ex_ueg -0.4177145E-03 Ec_ueg -0.9002871E-04 Delta_ex -0.5175214E-03 Delta_ec 0.1445411E-03 Delta_et -0.8494936E-03 Pxc 0.4639792E+01 Qxc -0.3580443E+01 3,+3 75 3 +1 1.376526 -1.583177 -1.695592 Rho 0.2016125E-01 |GRAD(Rho)| 0.2001930E-16 GRAD(Rho)x 0.1166114E-16 GRAD(Rho)y -0.9659967E-17 GRAD(Rho)z -0.1309484E-16 Laplacian 0.7625676E-01 (-1/4)Del**2(Rho)) -0.1906419E-01 Diamond 0.7841924E-02 Metallicity 0.1349576E+01 Ellipticity -0.3980284E+01 Gb(Abramov) 0.1699756E-01 Vb(Abramov) -0.1493092E-01 Hb(Abramov) 0.2066634E-02 Ex_ueg -0.4052675E-02 Ec_ueg -0.8483211E-03 Delta_ex -0.4540942E-02 Delta_ec 0.1403175E-02 Delta_et -0.1170138E-01 Pxc 0.4777289E+01 Qxc -0.3236190E+01 3,+1 76 3 +1 1.649594 -0.643972 -0.014518 Rho 0.7062714E-02 |GRAD(Rho)| 0.8927063E-16 GRAD(Rho)x -0.5319262E-16 GRAD(Rho)y 0.7151095E-16 GRAD(Rho)z -0.5096549E-17 Laplacian 0.2834317E-01 (-1/4)Del**2(Rho)) -0.7085792E-02 Diamond 0.6408708E-03 Metallicity 0.6320977E+00 Ellipticity -0.1444469E+01 Gb(Abramov) 0.5470347E-02 Vb(Abramov) -0.3854901E-02 Hb(Abramov) 0.1615445E-02 Ex_ueg -0.1000800E-02 Ec_ueg -0.2367320E-03 Delta_ex -0.1267981E-02 Delta_ec 0.4623312E-03 Delta_et -0.2948695E-02 Pxc 0.4227565E+01 Qxc -0.2742580E+01 3,+1 77 3 +1 1.508938 -1.461832 1.654068 Rho 0.1960980E-01 |GRAD(Rho)| 0.4724751E-16 GRAD(Rho)x 0.4329400E-16 GRAD(Rho)y 0.1889059E-16 GRAD(Rho)z 0.1049734E-17 Laplacian 0.6943107E-01 (-1/4)Del**2(Rho)) -0.1735777E-01 Diamond 0.6840192E-02 Metallicity 0.1415298E+01 Ellipticity -0.5963313E+01 Gb(Abramov) 0.1566625E-01 Vb(Abramov) -0.1397473E-01 Hb(Abramov) 0.1691520E-02 Ex_ueg -0.3905554E-02 Ec_ueg -0.8213565E-03 Delta_ex -0.4099850E-02 Delta_ec 0.1268642E-02 Delta_et -0.1050708E-01 Pxc 0.4755005E+01 Qxc -0.3231683E+01 3,+1 78 3 +1 1.492343 0.659393 -0.908672 Rho 0.6743053E-02 |GRAD(Rho)| 0.5203098E-17 GRAD(Rho)x 0.4362017E-17 GRAD(Rho)y -0.5042625E-18 GRAD(Rho)z 0.2791193E-17 Laplacian 0.2715554E-01 (-1/4)Del**2(Rho)) -0.6788885E-02 Diamond 0.5562557E-03 Metallicity 0.6107297E+00 Ellipticity -0.1385126E+01 Gb(Abramov) 0.5216952E-02 Vb(Abramov) -0.3645020E-02 Hb(Abramov) 0.1571933E-02 Ex_ueg -0.9408647E-03 Ec_ueg -0.2226778E-03 Delta_ex -0.1188669E-02 Delta_ec 0.4202874E-03 Delta_et -0.2664186E-02 Pxc 0.4225229E+01 Qxc -0.2828228E+01 3,+1 79 3 +1 1.498517 0.665401 0.885752 Rho 0.6798600E-02 |GRAD(Rho)| 0.1849739E-14 GRAD(Rho)x -0.1422202E-14 GRAD(Rho)y 0.5993981E-15 GRAD(Rho)z -0.1019606E-14 Laplacian 0.2701776E-01 (-1/4)Del**2(Rho)) -0.6754441E-02 Diamond 0.5562910E-03 Metallicity 0.6222948E+00 Ellipticity -0.1395780E+01 Gb(Abramov) 0.5203503E-02 Vb(Abramov) -0.3652565E-02 Hb(Abramov) 0.1550938E-02 Ex_ueg -0.9512128E-03 Ec_ueg -0.2251165E-03 Delta_ex -0.1182941E-02 Delta_ec 0.4144822E-03 Delta_et -0.2636024E-02 Pxc 0.4225425E+01 Qxc -0.2854022E+01 3,+1 80 3 -1 3.139656 -0.743203 0.872408 Rho 0.1123200E+00 |GRAD(Rho)| 0.9072314E-15 GRAD(Rho)x -0.1282882E-15 GRAD(Rho)y 0.1451510E-15 GRAD(Rho)z 0.8863082E-15 Laplacian 0.4912093E+00 (-1/4)Del**2(Rho)) -0.1228023E+00 Diamond 0.7294935E+00 Metallicity 0.3668105E+01 Ellipticity 0.2116260E-01 Gb(Abramov) 0.1569435E+00 Vb(Abramov) -0.1910847E+00 Hb(Abramov) -0.3414119E-01 Ex_ueg -0.4002468E-01 Ec_ueg -0.6077214E-02 Delta_ex -0.4958464E-01 Delta_ec 0.1404439E-01 Delta_et -0.1794138E+00 Pxc 0.6586024E+01 Qxc -0.3530565E+01 3,-1 81 3 +1 1.239337 -0.369259 -2.312633 Rho 0.2228637E-01 |GRAD(Rho)| 0.7093296E-16 GRAD(Rho)x 0.3584312E-16 GRAD(Rho)y 0.1871457E-16 GRAD(Rho)z -0.5827968E-16 Laplacian 0.8828642E-01 (-1/4)Del**2(Rho)) -0.2207160E-01 Diamond 0.1121159E-01 Metallicity 0.1377584E+01 Ellipticity -0.8025943E+01 Gb(Abramov) 0.1978199E-01 Vb(Abramov) -0.1749237E-01 Hb(Abramov) 0.2289618E-02 Ex_ueg -0.4632025E-02 Ec_ueg -0.9530823E-03 Delta_ex -0.5496908E-02 Delta_ec 0.1803996E-02 Delta_et -0.1538483E-01 Pxc 0.4860047E+01 Qxc -0.3047074E+01 3,+1 82 3 +1 -1.066954 1.428138 -0.702026 Rho 0.1264035E-01 |GRAD(Rho)| 0.1286971E-16 GRAD(Rho)x -0.1174721E-16 GRAD(Rho)y -0.4597627E-17 GRAD(Rho)z -0.2548407E-17 Laplacian 0.5394639E-01 (-1/4)Del**2(Rho)) -0.1348660E-01 Diamond 0.2537253E-02 Metallicity 0.8761579E+00 Ellipticity -0.1560409E+01 Gb(Abramov) 0.1096046E-01 Vb(Abramov) -0.8434328E-02 Hb(Abramov) 0.2526134E-02 Ex_ueg -0.2174688E-02 Ec_ueg -0.4892097E-03 Delta_ex -0.2746577E-02 Delta_ec 0.8041099E-03 Delta_et -0.6028887E-02 Pxc 0.4445309E+01 Qxc -0.3415674E+01 3,+1 83 3 +1 -1.415733 1.192654 2.462326 Rho 0.8916501E-02 |GRAD(Rho)| 0.3436898E-16 GRAD(Rho)x 0.2550922E-16 GRAD(Rho)y -0.1491648E-16 GRAD(Rho)z 0.1755007E-16 Laplacian 0.4107493E-01 (-1/4)Del**2(Rho)) -0.1026873E-01 Diamond 0.1263161E-02 Metallicity 0.6432213E+00 Ellipticity -0.1372281E+01 Gb(Abramov) 0.7946667E-02 Vb(Abramov) -0.5624600E-02 Hb(Abramov) 0.2322066E-02 Ex_ueg -0.1365561E-02 Ec_ueg -0.3191634E-03 Delta_ex -0.1940296E-02 Delta_ec 0.6611164E-03 Delta_et -0.4494074E-02 Pxc 0.4278563E+01 Qxc -0.2934878E+01 3,+1 84 3 +1 -1.475822 1.139219 -2.497127 Rho 0.8252519E-02 |GRAD(Rho)| 0.1345267E-13 GRAD(Rho)x -0.8335718E-14 GRAD(Rho)y 0.7816244E-14 GRAD(Rho)z 0.7099051E-14 Laplacian 0.3714644E-01 (-1/4)Del**2(Rho)) -0.9286609E-02 Diamond 0.1126473E-02 Metallicity 0.6251825E+00 Ellipticity -0.1462867E+01 Gb(Abramov) 0.7158711E-02 Vb(Abramov) -0.5030812E-02 Hb(Abramov) 0.2127899E-02 Ex_ueg -0.1231687E-02 Ec_ueg -0.2894598E-03 Delta_ex -0.1768284E-02 Delta_ec 0.6814028E-03 Delta_et -0.4477644E-02 Pxc 0.4255124E+01 Qxc -0.2595064E+01 3,+1 85 3 +3 -1.011622 0.647642 -1.746931 Rho 0.4627491E-02 |GRAD(Rho)| 0.9512113E-13 GRAD(Rho)x -0.7198913E-13 GRAD(Rho)y 0.6210537E-13 GRAD(Rho)z -0.2918402E-14 Laplacian 0.1876064E-01 (-1/4)Del**2(Rho)) -0.4690160E-02 Diamond 0.1431607E-03 Metallicity 0.4719994E+00 Ellipticity -0.5470357E+00 Gb(Abramov) 0.3495732E-02 Vb(Abramov) -0.2301304E-02 Hb(Abramov) 0.1194428E-02 Ex_ueg -0.5695246E-03 Ec_ueg -0.1309176E-03 Delta_ex -0.6604900E-03 Delta_ec 0.1291895E-03 Delta_et -0.8735360E-03 Pxc 0.4350252E+01 Qxc -0.5112568E+01 3,+3 86 3 +3 1.190772 1.090364 -1.695623 Rho 0.3934609E-02 |GRAD(Rho)| 0.1020119E-11 GRAD(Rho)x 0.3732670E-12 GRAD(Rho)y 0.9304006E-12 GRAD(Rho)z -0.1888617E-12 Laplacian 0.1645869E-01 (-1/4)Del**2(Rho)) -0.4114673E-02 Diamond 0.1173604E-03 Metallicity 0.4105700E+00 Ellipticity -0.2004710E+00 Gb(Abramov) 0.3024675E-02 Vb(Abramov) -0.1934678E-02 Hb(Abramov) 0.1089997E-02 Ex_ueg -0.4587617E-03 Ec_ueg -0.1013568E-03 Delta_ex -0.5764501E-03 Delta_ec 0.1512787E-03 Delta_et -0.9156596E-03 Pxc 0.4526206E+01 Qxc -0.3810516E+01 3,+3 87 3 +1 -1.073834 1.419532 0.690213 Rho 0.1230349E-01 |GRAD(Rho)| 0.4275982E-16 GRAD(Rho)x -0.4000172E-16 GRAD(Rho)y 0.6965831E-17 GRAD(Rho)z 0.1340679E-16 Laplacian 0.5215406E-01 (-1/4)Del**2(Rho)) -0.1303851E-01 Diamond 0.2350219E-02 Metallicity 0.8663747E+00 Ellipticity -0.1547712E+01 Gb(Abramov) 0.1057505E-01 Vb(Abramov) -0.8111584E-02 Hb(Abramov) 0.2463465E-02 Ex_ueg -0.2097762E-02 Ec_ueg -0.4735974E-03 Delta_ex -0.2632989E-02 Delta_ec 0.7705599E-03 Delta_et -0.5742318E-02 Pxc 0.4429421E+01 Qxc -0.3416982E+01 3,+1 88 3 -1 -1.955469 0.948773 2.258818 Rho 0.1149382E-01 |GRAD(Rho)| 0.1741619E-15 GRAD(Rho)x 0.5524846E-16 GRAD(Rho)y 0.1350906E-15 GRAD(Rho)z -0.9502888E-16 Laplacian 0.4607343E-01 (-1/4)Del**2(Rho)) -0.1151836E-01 Diamond 0.3849860E-02 Metallicity 0.8755277E+00 Ellipticity 0.4315708E+00 Gb(Abramov) 0.9359679E-02 Vb(Abramov) -0.7201000E-02 Hb(Abramov) 0.2158679E-02 Ex_ueg -0.1915744E-02 Ec_ueg -0.4362526E-03 Delta_ex -0.2884841E-02 Delta_ec 0.1750847E-02 Delta_et -0.1208475E-01 Pxc 0.4391364E+01 Qxc -0.1647683E+01 3,-1 89 3 -1 -1.944927 0.942030 -2.365070 Rho 0.9609554E-02 |GRAD(Rho)| 0.2313552E-14 GRAD(Rho)x -0.1529975E-15 GRAD(Rho)y 0.1726034E-14 GRAD(Rho)z 0.1532946E-14 Laplacian 0.3797008E-01 (-1/4)Del**2(Rho)) -0.9492521E-02 Diamond 0.2559031E-02 Metallicity 0.7882737E+00 Ellipticity 0.1939742E+00 Gb(Abramov) 0.7575465E-02 Vb(Abramov) -0.5658408E-02 Hb(Abramov) 0.1917056E-02 Ex_ueg -0.1508885E-02 Ec_ueg -0.3503737E-03 Delta_ex -0.2319330E-02 Delta_ec 0.1489543E-02 Delta_et -0.9727052E-02 Pxc 0.4306501E+01 Qxc -0.1557075E+01 3,-1 90 3 -1 -0.751046 3.821709 -2.297402 Rho 0.2346537E+00 |GRAD(Rho)| 0.5018420E-14 GRAD(Rho)x -0.2979767E-14 GRAD(Rho)y -0.3745919E-14 GRAD(Rho)z 0.1507854E-14 Laplacian 0.8663084E+00 (-1/4)Del**2(Rho)) -0.2165771E+00 Diamond 0.2976501E+01 Metallicity 0.7101005E+01 Ellipticity 0.5443383E-02 Gb(Abramov) 0.4007039E+00 Vb(Abramov) -0.5848307E+00 Hb(Abramov) -0.1841268E+00 Ex_ueg -0.1068944E+00 Ec_ueg -0.1407033E-01 Delta_ex -0.1040246E+00 Delta_ec 0.1921187E-01 Delta_et -0.2656676E+00 Pxc 0.7597154E+01 Qxc -0.5414602E+01 3,-1 91 3 -1 -0.688774 3.552107 -0.797635 Rho 0.1459302E+00 |GRAD(Rho)| 0.3590673E-14 GRAD(Rho)x 0.3920475E-15 GRAD(Rho)y -0.1172931E-14 GRAD(Rho)z -0.3370974E-14 Laplacian 0.5734258E+00 (-1/4)Del**2(Rho)) -0.1433564E+00 Diamond 0.1124048E+01 Metallicity 0.4860839E+01 Ellipticity 0.4262130E-01 Gb(Abramov) 0.2117097E+00 Vb(Abramov) -0.2800630E+00 Hb(Abramov) -0.6835329E-01 Ex_ueg -0.5674296E-01 Ec_ueg -0.8183499E-02 Delta_ex -0.6116388E-01 Delta_ec 0.1464417E-01 Delta_et -0.1941761E+00 Pxc 0.6933826E+01 Qxc -0.4176671E+01 3,-1 92 3 +1 -1.812693 2.467285 -0.008289 Rho 0.7755163E-02 |GRAD(Rho)| 0.2717286E-14 GRAD(Rho)x 0.1735582E-14 GRAD(Rho)y 0.2084649E-14 GRAD(Rho)z -0.1601195E-15 Laplacian 0.3359502E-01 (-1/4)Del**2(Rho)) -0.8398754E-02 Diamond 0.9606784E-03 Metallicity 0.6232417E+00 Ellipticity -0.1500513E+01 Gb(Abramov) 0.6471578E-02 Vb(Abramov) -0.4544403E-02 Hb(Abramov) 0.1927176E-02 Ex_ueg -0.1133721E-02 Ec_ueg -0.2673398E-03 Delta_ex -0.1588238E-02 Delta_ec 0.6386970E-03 Delta_et -0.4111711E-02 Pxc 0.4240750E+01 Qxc -0.2486684E+01 3,+1 93 3 -1 -0.667890 3.536719 0.807899 Rho 0.1253661E+00 |GRAD(Rho)| 0.2726612E-14 GRAD(Rho)x 0.8635027E-15 GRAD(Rho)y -0.1086242E-14 GRAD(Rho)z 0.2347094E-14 Laplacian 0.4921989E+00 (-1/4)Del**2(Rho)) -0.1230497E+00 Diamond 0.8035701E+00 Metallicity 0.4396487E+01 Ellipticity 0.2603621E-01 Gb(Abramov) 0.1721976E+00 Vb(Abramov) -0.2213454E+00 Hb(Abramov) -0.4914784E-01 Ex_ueg -0.4634024E-01 Ec_ueg -0.6885780E-02 Delta_ex -0.5059794E-01 Delta_ec 0.1303215E-01 Delta_et -0.1687430E+00 Pxc 0.6729847E+01 Qxc -0.3882548E+01 3,-1 94 3 +1 0.118962 0.935858 1.576727 Rho 0.8369101E-02 |GRAD(Rho)| 0.6011209E-16 GRAD(Rho)x -0.2488043E-16 GRAD(Rho)y -0.3615840E-16 GRAD(Rho)z -0.4107308E-16 Laplacian 0.3462517E-01 (-1/4)Del**2(Rho)) -0.8656294E-02 Diamond 0.9380885E-03 Metallicity 0.6865717E+00 Ellipticity -0.1422036E+01 Gb(Abramov) 0.6761390E-02 Vb(Abramov) -0.4866486E-02 Hb(Abramov) 0.1894904E-02 Ex_ueg -0.1254941E-02 Ec_ueg -0.2946609E-03 Delta_ex -0.1592088E-02 Delta_ec 0.5249451E-03 Delta_et -0.3532043E-02 Pxc 0.4258934E+01 Qxc -0.3032867E+01 3,+1 95 3 -1 -0.213799 2.380858 -2.360535 Rho 0.1454062E+00 |GRAD(Rho)| 0.4070970E-15 GRAD(Rho)x 0.7385450E-16 GRAD(Rho)y -0.3911666E-15 GRAD(Rho)z 0.8521829E-16 Laplacian 0.6067477E+00 (-1/4)Del**2(Rho)) -0.1516869E+00 Diamond 0.1179832E+01 Metallicity 0.4566428E+01 Ellipticity 0.1638986E-01 Gb(Abramov) 0.2165692E+00 Vb(Abramov) -0.2814515E+00 Hb(Abramov) -0.6488227E-01 Ex_ueg -0.5647146E-01 Ec_ueg -0.8150097E-02 Delta_ex -0.6461539E-01 Delta_ec 0.1542718E-01 Delta_et -0.2042726E+00 Pxc 0.6928931E+01 Qxc -0.4188411E+01 3,-1 96 3 -1 -0.106249 2.291056 -0.845894 Rho 0.4229871E-01 |GRAD(Rho)| 0.1551949E-12 GRAD(Rho)x 0.5514152E-13 GRAD(Rho)y 0.1195355E-12 GRAD(Rho)z -0.8219573E-13 Laplacian 0.1604432E+00 (-1/4)Del**2(Rho)) -0.4011081E-01 Diamond 0.6316511E-01 Metallicity 0.2205483E+01 Ellipticity 0.1620915E-01 Gb(Abramov) 0.4148449E-01 Vb(Abramov) -0.4285817E-01 Hb(Abramov) -0.1373681E-02 Ex_ueg -0.1088482E-01 Ec_ueg -0.1993820E-02 Delta_ex -0.1257755E-01 Delta_ec 0.4630040E-02 Delta_et -0.4668647E-01 Pxc 0.5459279E+01 Qxc -0.2716509E+01 3,-1 97 3 +1 -0.303336 2.712805 0.048846 Rho 0.2469412E-01 |GRAD(Rho)| 0.1197602E-14 GRAD(Rho)x 0.9133637E-15 GRAD(Rho)y 0.2603616E-15 GRAD(Rho)z -0.7295412E-15 Laplacian 0.9294244E-01 (-1/4)Del**2(Rho)) -0.2323561E-01 Diamond 0.1183138E-01 Metallicity 0.1552584E+01 Ellipticity -0.3969465E+01 Gb(Abramov) 0.2150295E-01 Vb(Abramov) -0.1977028E-01 Hb(Abramov) 0.1732665E-02 Ex_ueg -0.5311002E-02 Ec_ueg -0.1073326E-02 Delta_ex -0.5748278E-02 Delta_ec 0.1553469E-02 Delta_et -0.1367720E-01 Pxc 0.4948173E+01 Qxc -0.3700284E+01 3,+1 98 3 +1 0.111520 0.939739 -1.574273 Rho 0.8674783E-02 |GRAD(Rho)| 0.1039462E-16 GRAD(Rho)x 0.4186505E-17 GRAD(Rho)y -0.8077290E-17 GRAD(Rho)z -0.5027792E-17 Laplacian 0.3625602E-01 (-1/4)Del**2(Rho)) -0.9064005E-02 Diamond 0.1016010E-02 Metallicity 0.6960879E+00 Ellipticity -0.1409211E+01 Gb(Abramov) 0.7094227E-02 Vb(Abramov) -0.5124449E-02 Hb(Abramov) 0.1969778E-02 Ex_ueg -0.1316426E-02 Ec_ueg -0.3083273E-03 Delta_ex -0.1675200E-02 Delta_ec 0.5374058E-03 Delta_et -0.3659271E-02 Pxc 0.4269573E+01 Qxc -0.3117198E+01 3,+1 99 3 -1 -0.189177 2.368234 2.381950 Rho 0.1640717E+00 |GRAD(Rho)| 0.3900156E-15 GRAD(Rho)x 0.9446111E-16 GRAD(Rho)y -0.1871333E-15 GRAD(Rho)z 0.3288927E-15 Laplacian 0.6846894E+00 (-1/4)Del**2(Rho)) -0.1711724E+00 Diamond 0.1527075E+01 Metallicity 0.4948904E+01 Ellipticity 0.2713549E-01 Gb(Abramov) 0.2553008E+00 Vb(Abramov) -0.3394293E+00 Hb(Abramov) -0.8412846E-01 Ex_ueg -0.6633814E-01 Ec_ueg -0.9350308E-02 Delta_ex -0.7501671E-01 Delta_ec 0.1669687E-01 Delta_et -0.2241445E+00 Pxc 0.7094754E+01 Qxc -0.4492861E+01 3,-1 100 3 -1 -0.013946 0.877543 -3.246878 Rho 0.1303038E+00 |GRAD(Rho)| 0.1312733E-15 GRAD(Rho)x 0.1352881E-16 GRAD(Rho)y 0.7914676E-16 GRAD(Rho)z 0.1038530E-15 Laplacian 0.5389851E+00 (-1/4)Del**2(Rho)) -0.1347463E+00 Diamond 0.9307584E+00 Metallicity 0.4281851E+01 Ellipticity 0.1485728E-02 Gb(Abramov) 0.1859914E+00 Vb(Abramov) -0.2372366E+00 Hb(Abramov) -0.5124516E-01 Ex_ueg -0.4878967E-01 Ec_ueg -0.7194865E-02 Delta_ex -0.5603293E-01 Delta_ec 0.1433332E-01 Delta_et -0.1871367E+00 Pxc 0.6781179E+01 Qxc -0.3909277E+01 3,-1 101 3 -1 -0.056244 0.045546 -4.552360 Rho 0.2255670E+00 |GRAD(Rho)| 0.1354770E-14 GRAD(Rho)x 0.1119049E-15 GRAD(Rho)y -0.3168852E-15 GRAD(Rho)z 0.1312427E-14 Laplacian 0.8304905E+00 (-1/4)Del**2(Rho)) -0.2076226E+00 Diamond 0.2732289E+01 Metallicity 0.6935395E+01 Ellipticity 0.1655162E-01 Gb(Abramov) 0.3784059E+00 Vb(Abramov) -0.5491892E+00 Hb(Abramov) -0.1707833E+00 Ex_ueg -0.1014112E+00 Ec_ueg -0.1344711E-01 Delta_ex -0.9876999E-01 Delta_ec 0.1874693E-01 Delta_et -0.2592641E+00 Pxc 0.7541485E+01 Qxc -0.5268595E+01 3,-1 102 3 -1 0.023563 0.620780 -0.009848 Rho 0.1810223E+00 |GRAD(Rho)| 0.1554952E-14 GRAD(Rho)x 0.7862716E-15 GRAD(Rho)y 0.1341454E-14 GRAD(Rho)z -0.1241320E-16 Laplacian 0.5122694E+00 (-1/4)Del**2(Rho)) -0.1280674E+00 Diamond 0.1446860E+01 Metallicity 0.7792348E+01 Ellipticity 0.3145770E-02 Gb(Abramov) 0.2517025E+00 Vb(Abramov) -0.3753376E+00 Hb(Abramov) -0.1236351E+00 Ex_ueg -0.7563009E-01 Ec_ueg -0.1045816E-01 Delta_ex -0.5877802E-01 Delta_ec 0.1440554E-01 Delta_et -0.2022865E+00 Pxc 0.7231681E+01 Qxc -0.4080238E+01 3,-1 103 3 -1 -0.017960 0.841812 3.257273 Rho 0.1080841E+00 |GRAD(Rho)| 0.4461013E-15 GRAD(Rho)x -0.4138688E-16 GRAD(Rho)y -0.4340874E-15 GRAD(Rho)z 0.9413585E-16 Laplacian 0.4443955E+00 (-1/4)Del**2(Rho)) -0.1110989E+00 Diamond 0.6138337E+00 Metallicity 0.3802884E+01 Ellipticity 0.6218083E-02 Gb(Abramov) 0.1444820E+00 Vb(Abramov) -0.1778650E+00 Hb(Abramov) -0.3338307E-01 Ex_ueg -0.3802484E-01 Ec_ueg -0.5817307E-02 Delta_ex -0.4420806E-01 Delta_ec 0.1236677E-01 Delta_et -0.1562119E+00 Pxc 0.6536503E+01 Qxc -0.3574746E+01 3,-1 104 3 -1 0.190713 -0.371809 -2.404998 Rho 0.4138529E-01 |GRAD(Rho)| 0.1017043E-13 GRAD(Rho)x -0.8482820E-14 GRAD(Rho)y 0.1003767E-14 GRAD(Rho)z -0.5520131E-14 Laplacian 0.1575896E+00 (-1/4)Del**2(Rho)) -0.3939741E-01 Diamond 0.6158627E-01 Metallicity 0.2165188E+01 Ellipticity 0.1133934E-01 Gb(Abramov) 0.4048207E-01 Vb(Abramov) -0.4156673E-01 Hb(Abramov) -0.1084661E-02 Ex_ueg -0.1057255E-01 Ec_ueg -0.1944533E-02 Delta_ex -0.1236196E-01 Delta_ec 0.4683042E-02 Delta_et -0.4696696E-01 Pxc 0.5437064E+01 Qxc -0.2639729E+01 3,-1 105 3 +3 1.265064 -1.288013 -2.546721 Rho 0.1140502E-01 |GRAD(Rho)| 0.6279902E-15 GRAD(Rho)x -0.2586041E-15 GRAD(Rho)y 0.3126246E-15 GRAD(Rho)z 0.4793344E-15 Laplacian 0.5138348E-01 (-1/4)Del**2(Rho)) -0.1284587E-01 Diamond 0.9702035E-03 Metallicity 0.7749663E+00 Ellipticity -0.3521583E+00 Gb(Abramov) 0.1022310E-01 Vb(Abramov) -0.7600329E-02 Hb(Abramov) 0.2622771E-02 Ex_ueg -0.1896035E-02 Ec_ueg -0.4321726E-03 Delta_ex -0.2198321E-02 Delta_ec 0.1423730E-03 Delta_et -0.1468062E-02 Pxc 0.4387216E+01 Qxc -0.1544057E+02 3,+3 106 3 +1 1.401007 -0.432430 2.186758 Rho 0.2160262E-01 |GRAD(Rho)| 0.1972268E-16 GRAD(Rho)x -0.1588714E-16 GRAD(Rho)y 0.4256392E-17 GRAD(Rho)z 0.1088420E-16 Laplacian 0.7994188E-01 (-1/4)Del**2(Rho)) -0.1998547E-01 Diamond 0.8507811E-02 Metallicity 0.1444384E+01 Ellipticity -0.3637729E+01 Gb(Abramov) 0.1813476E-01 Vb(Abramov) -0.1628406E-01 Hb(Abramov) 0.1850707E-02 Ex_ueg -0.4443518E-02 Ec_ueg -0.9192314E-03 Delta_ex -0.4776774E-02 Delta_ec 0.1346100E-02 Delta_et -0.1146417E-01 Pxc 0.4833949E+01 Qxc -0.3548603E+01 3,+1 107 3 +1 1.506934 1.415675 2.178283 Rho 0.4713226E-02 |GRAD(Rho)| 0.7231669E-17 GRAD(Rho)x 0.6891596E-17 GRAD(Rho)y -0.1546237E-17 GRAD(Rho)z -0.1553092E-17 Laplacian 0.1881982E-01 (-1/4)Del**2(Rho)) -0.4704954E-02 Diamond 0.4053548E-03 Metallicity 0.4851338E+00 Ellipticity -0.2878199E+01 Gb(Abramov) 0.3517058E-02 Vb(Abramov) -0.2329162E-02 Hb(Abramov) 0.1187896E-02 Ex_ueg -0.5836369E-03 Ec_ueg -0.1345927E-03 Delta_ex -0.9251166E-03 Delta_ec 0.5925657E-03 Delta_et -0.3161538E-02 Pxc 0.4336319E+01 Qxc -0.1561205E+01 3,+1 108 3 +3 1.817446 0.324426 -0.012914 Rho 0.4161016E-02 |GRAD(Rho)| 0.5092297E-16 GRAD(Rho)x -0.4071560E-16 GRAD(Rho)y -0.6038557E-17 GRAD(Rho)z 0.2998207E-16 Laplacian 0.1659694E-01 (-1/4)Del**2(Rho)) -0.4149236E-02 Diamond 0.1109859E-03 Metallicity 0.4469416E+00 Ellipticity -0.4227563E+00 Gb(Abramov) 0.3075235E-02 Vb(Abramov) -0.2001234E-02 Hb(Abramov) 0.1074001E-02 Ex_ueg -0.4942928E-03 Ec_ueg -0.1109885E-03 Delta_ex -0.5697833E-03 Delta_ec 0.1172182E-03 Delta_et -0.7689185E-03 Pxc 0.4453549E+01 Qxc -0.4860876E+01 3,+3 109 3 -1 1.704560 -0.625413 1.558357 Rho 0.2892093E-01 |GRAD(Rho)| 0.4268727E-16 GRAD(Rho)x 0.4195947E-16 GRAD(Rho)y 0.2551422E-17 GRAD(Rho)z -0.7422656E-17 Laplacian 0.1156668E+00 (-1/4)Del**2(Rho)) -0.2891669E-01 Diamond 0.2936154E-01 Metallicity 0.1623398E+01 Ellipticity 0.5238895E-01 Gb(Abramov) 0.2710168E-01 Vb(Abramov) -0.2528666E-01 Hb(Abramov) 0.1815015E-02 Ex_ueg -0.6556440E-02 Ec_ueg -0.1288083E-02 Delta_ex -0.8452927E-02 Delta_ec 0.3698687E-02 Delta_et -0.3360953E-01 Pxc 0.5090076E+01 Qxc -0.2285386E+01 3,-1 110 3 -1 2.417077 -0.332889 2.733517 Rho 0.1434010E+00 |GRAD(Rho)| 0.4930256E-13 GRAD(Rho)x 0.4755633E-13 GRAD(Rho)y -0.7366869E-14 GRAD(Rho)z -0.1071758E-13 Laplacian 0.5789631E+00 (-1/4)Del**2(Rho)) -0.1447408E+00 Diamond 0.1134440E+01 Metallicity 0.4676087E+01 Ellipticity 0.2240384E-01 Gb(Abramov) 0.2092972E+00 Vb(Abramov) -0.2738537E+00 Hb(Abramov) -0.6455647E-01 Ex_ueg -0.5543549E-01 Ec_ueg -0.8022429E-02 Delta_ex -0.6173551E-01 Delta_ec 0.1528595E-01 Delta_et -0.2031153E+00 Pxc 0.6910063E+01 Qxc -0.4038710E+01 3,-1 111 3 +3 1.188634 1.090688 1.691338 Rho 0.3891864E-02 |GRAD(Rho)| 0.1916740E-12 GRAD(Rho)x 0.1024708E-12 GRAD(Rho)y 0.6977560E-13 GRAD(Rho)z -0.1461849E-12 Laplacian 0.1602570E-01 (-1/4)Del**2(Rho)) -0.4006426E-02 Diamond 0.1108956E-03 Metallicity 0.4140558E+00 Ellipticity -0.2623433E+00 Gb(Abramov) 0.2947431E-02 Vb(Abramov) -0.1888437E-02 Hb(Abramov) 0.1058995E-02 Ex_ueg -0.4521286E-03 Ec_ueg -0.9954140E-04 Delta_ex -0.5575388E-03 Delta_ec 0.1433652E-03 Delta_et -0.8710155E-03 Pxc 0.4542116E+01 Qxc -0.3888941E+01 3,+3 112 3 +1 0.608620 3.474127 -0.017633 Rho 0.1276608E-01 |GRAD(Rho)| 0.3622885E-16 GRAD(Rho)x 0.2574837E-16 GRAD(Rho)y -0.2466414E-16 GRAD(Rho)z 0.6421127E-17 Laplacian 0.6060152E-01 (-1/4)Del**2(Rho)) -0.1515038E-01 Diamond 0.2213846E-02 Metallicity 0.7929128E+00 Ellipticity -0.1174663E+01 Gb(Abramov) 0.1210241E-01 Vb(Abramov) -0.9054437E-02 Hb(Abramov) 0.3047972E-02 Ex_ueg -0.2203578E-02 Ec_ueg -0.4950483E-03 Delta_ex -0.2913648E-02 Delta_ec 0.5824842E-03 Delta_et -0.4585573E-02 Pxc 0.4451238E+01 Qxc -0.5002106E+01 3,+1 113 3 +1 3.026436 0.597317 -0.007687 Rho 0.1227877E-01 |GRAD(Rho)| 0.1555466E-16 GRAD(Rho)x 0.5589081E-17 GRAD(Rho)y -0.1432919E-16 GRAD(Rho)z 0.2320302E-17 Laplacian 0.5897460E-01 (-1/4)Del**2(Rho)) -0.1474365E-01 Diamond 0.2390942E-02 Metallicity 0.7636121E+00 Ellipticity -0.1294409E+01 Gb(Abramov) 0.1170551E-01 Vb(Abramov) -0.8667360E-02 Hb(Abramov) 0.3038145E-02 Ex_ueg -0.2092143E-02 Ec_ueg -0.4724532E-03 Delta_ex -0.2903094E-02 Delta_ec 0.7415700E-03 Delta_et -0.5609979E-02 Pxc 0.4428256E+01 Qxc -0.3914794E+01 3,+1 114 3 -1 2.739422 1.901107 -0.731874 Rho 0.1731099E+00 |GRAD(Rho)| 0.1345237E-13 GRAD(Rho)x 0.1095417E-13 GRAD(Rho)y -0.7754349E-14 GRAD(Rho)z 0.9178585E-15 Laplacian 0.7160859E+00 (-1/4)Del**2(Rho)) -0.1790215E+00 Diamond 0.1709295E+01 Metallicity 0.5174297E+01 Ellipticity 0.3156533E-01 Gb(Abramov) 0.2737327E+00 Vb(Abramov) -0.3684439E+00 Hb(Abramov) -0.9471123E-01 Ex_ueg -0.7125484E-01 Ec_ueg -0.9938948E-02 Delta_ex -0.7956618E-01 Delta_ec 0.1730859E-01 Delta_et -0.2340215E+00 Pxc 0.7169254E+01 Qxc -0.4596920E+01 3,-1 115 3 -1 2.737588 1.925988 0.683295 Rho 0.1773093E+00 |GRAD(Rho)| 0.3427265E-15 GRAD(Rho)x 0.3076966E-15 GRAD(Rho)y 0.8256200E-16 GRAD(Rho)z 0.1263638E-15 Laplacian 0.7243760E+00 (-1/4)Del**2(Rho)) -0.1810940E+00 Diamond 0.1783027E+01 Metallicity 0.5323555E+01 Ellipticity 0.1710494E-01 Gb(Abramov) 0.2814066E+00 Vb(Abramov) -0.3817193E+00 Hb(Abramov) -0.1003126E+00 Ex_ueg -0.7356883E-01 Ec_ueg -0.1021406E-01 Delta_ex -0.8100122E-01 Delta_ec 0.1744823E-01 Delta_et -0.2366599E+00 Pxc 0.7202699E+01 Qxc -0.4642374E+01 3,-1 116 3 -1 3.243288 3.165574 -0.044362 Rho 0.2316577E+00 |GRAD(Rho)| 0.7637849E-15 GRAD(Rho)x 0.6929136E-15 GRAD(Rho)y 0.3138223E-15 GRAD(Rho)z 0.6894679E-16 Laplacian 0.8511366E+00 (-1/4)Del**2(Rho)) -0.2127841E+00 Diamond 0.2885300E+01 Metallicity 0.7074436E+01 Ellipticity 0.5668529E-03 Gb(Abramov) 0.3927441E+00 Vb(Abramov) -0.5727040E+00 Hb(Abramov) -0.1799599E+00 Ex_ueg -0.1050785E+00 Ec_ueg -0.1386434E-01 Delta_ex -0.1018937E+00 Delta_ec 0.1900436E-01 Delta_et -0.2629058E+00 Pxc 0.7579051E+01 Qxc -0.5361596E+01 3,-1 117 3 -1 -0.085223 2.278563 0.849736 Rho 0.4187268E-01 |GRAD(Rho)| 0.1816851E-12 GRAD(Rho)x 0.5293742E-13 GRAD(Rho)y -0.1170204E-12 GRAD(Rho)z -0.1285042E-12 Laplacian 0.1581238E+00 (-1/4)Del**2(Rho)) -0.3953095E-01 Diamond 0.6137359E-01 Metallicity 0.2200394E+01 Ellipticity 0.1790697E-01 Gb(Abramov) 0.4085125E-01 Vb(Abramov) -0.4217154E-01 Hb(Abramov) -0.1320293E-02 Ex_ueg -0.1073889E-01 Ec_ueg -0.1970813E-02 Delta_ex -0.1236287E-01 Delta_ec 0.4560795E-02 Delta_et -0.4586439E-01 Pxc 0.5448963E+01 Qxc -0.2710683E+01 3,-1 118 3 -1 0.079726 -1.115297 -3.546855 Rho 0.1430099E+00 |GRAD(Rho)| 0.1421589E-15 GRAD(Rho)x -0.1258860E-15 GRAD(Rho)y 0.3805550E-16 GRAD(Rho)z 0.5397802E-16 Laplacian 0.5542586E+00 (-1/4)Del**2(Rho)) -0.1385646E+00 Diamond 0.1072129E+01 Metallicity 0.4862327E+01 Ellipticity 0.3364371E-01 Gb(Abramov) 0.2046675E+00 Vb(Abramov) -0.2707704E+00 Hb(Abramov) -0.6610289E-01 Ex_ueg -0.5523400E-01 Ec_ueg -0.7997558E-02 Delta_ex -0.5895223E-01 Delta_ec 0.1444726E-01 Delta_et -0.1914807E+00 Pxc 0.6906357E+01 Qxc -0.4080513E+01 3,-1 119 3 -1 2.975125 0.396864 -1.612463 Rho 0.1012367E+00 |GRAD(Rho)| 0.8130204E-16 GRAD(Rho)x -0.6141201E-17 GRAD(Rho)y -0.6707146E-16 GRAD(Rho)z 0.4553819E-16 Laplacian 0.4185612E+00 (-1/4)Del**2(Rho)) -0.1046403E+00 Diamond 0.5308056E+00 Metallicity 0.3620354E+01 Ellipticity 0.1008263E-01 Gb(Abramov) 0.1328994E+00 Vb(Abramov) -0.1611584E+00 Hb(Abramov) -0.2825906E-01 Ex_ueg -0.3484731E-01 Ec_ueg -0.5400030E-02 Delta_ex -0.4094824E-01 Delta_ec 0.1171368E-01 Delta_et -0.1459539E+00 Pxc 0.6453170E+01 Qxc -0.3495763E+01 3,-1 120 3 -1 2.967220 0.440218 1.594423 Rho 0.9586976E-01 |GRAD(Rho)| 0.5524514E-16 GRAD(Rho)x -0.4240353E-16 GRAD(Rho)y 0.1767250E-16 GRAD(Rho)z -0.3068631E-16 Laplacian 0.4200664E+00 (-1/4)Del**2(Rho)) -0.1050166E+00 Diamond 0.5205926E+00 Metallicity 0.3294311E+01 Ellipticity 0.1884992E-01 Gb(Abramov) 0.1276706E+00 Vb(Abramov) -0.1503247E+00 Hb(Abramov) -0.2265402E-01 Ex_ueg -0.3240614E-01 Ec_ueg -0.5075543E-02 Delta_ex -0.4097324E-01 Delta_ec 0.1260005E-01 Delta_et -0.1560799E+00 Pxc 0.6384762E+01 Qxc -0.3251833E+01 3,-1 121 3 +1 -1.323202 -0.063003 -1.679147 Rho 0.5786744E-02 |GRAD(Rho)| 0.3018725E-17 GRAD(Rho)x -0.2720892E-17 GRAD(Rho)y 0.1182168E-17 GRAD(Rho)z 0.5585016E-18 Laplacian 0.2274774E-01 (-1/4)Del**2(Rho)) -0.5686935E-02 Diamond 0.5259477E-03 Metallicity 0.5650220E+00 Ellipticity -0.1939606E+01 Gb(Abramov) 0.4326831E-02 Vb(Abramov) -0.2966726E-02 Hb(Abramov) 0.1360104E-02 Ex_ueg -0.7672981E-03 Ec_ueg -0.1809252E-03 Delta_ex -0.1072195E-02 Delta_ec 0.5529386E-03 Delta_et -0.3202233E-02 Pxc 0.4240969E+01 Qxc -0.1939085E+01 3,+1 122 3 -1 3.898162 -0.676675 -2.269350 Rho 0.2297218E+00 |GRAD(Rho)| 0.8681431E-14 GRAD(Rho)x 0.1419871E-14 GRAD(Rho)y 0.5567819E-14 GRAD(Rho)z 0.6507734E-14 Laplacian 0.8288666E+00 (-1/4)Del**2(Rho)) -0.2072167E+00 Diamond 0.2794793E+01 Metallicity 0.7163616E+01 Ellipticity 0.6006095E-02 Gb(Abramov) 0.3855479E+00 Vb(Abramov) -0.5638791E+00 Hb(Abramov) -0.1783312E+00 Ex_ueg -0.1039094E+00 Ec_ueg -0.1373151E-01 Delta_ex -0.9908599E-01 Delta_ec 0.1868551E-01 Delta_et -0.2589539E+00 Pxc 0.7567223E+01 Qxc -0.5302824E+01 3,-1 123 3 -1 3.891782 -0.638546 2.277720 Rho 0.2063108E+00 |GRAD(Rho)| 0.8524864E-14 GRAD(Rho)x -0.5949885E-14 GRAD(Rho)y -0.5998426E-14 GRAD(Rho)z -0.1136244E-14 Laplacian 0.7666363E+00 (-1/4)Del**2(Rho)) -0.1916591E+00 Diamond 0.2271510E+01 Metallicity 0.6474809E+01 Ellipticity 0.1424221E-02 Gb(Abramov) 0.3345987E+00 Vb(Abramov) -0.4775383E+00 Hb(Abramov) -0.1429396E+00 Ex_ueg -0.9003559E-01 Ec_ueg -0.1214144E-01 Delta_ex -0.8914101E-01 Delta_ec 0.1781610E-01 Delta_et -0.2452694E+00 Pxc 0.7415559E+01 Qxc -0.5003395E+01 3,-1 124 3 -1 0.094840 -0.269911 -0.526496 Rho 0.1921795E+00 |GRAD(Rho)| 0.5397913E-12 GRAD(Rho)x -0.2213041E-12 GRAD(Rho)y 0.2246013E-12 GRAD(Rho)z 0.4381248E-12 Laplacian 0.6085965E+00 (-1/4)Del**2(Rho)) -0.1521491E+00 Diamond 0.1837337E+01 Metallicity 0.7246506E+01 Ellipticity 0.1251654E-01 Gb(Abramov) 0.2851910E+00 Vb(Abramov) -0.4182329E+00 Hb(Abramov) -0.1330419E+00 Ex_ueg -0.8190826E-01 Ec_ueg -0.1119638E-01 Delta_ex -0.7079460E-01 Delta_ec 0.1673974E-01 Delta_et -0.2367086E+00 Pxc 0.7315604E+01 Qxc -0.4229134E+01 3,-1 125 3 -1 0.098349 -0.270536 0.502797 Rho 0.1969143E+00 |GRAD(Rho)| 0.5162460E-11 GRAD(Rho)x -0.2307191E-11 GRAD(Rho)y 0.2114501E-11 GRAD(Rho)z -0.4105697E-11 Laplacian 0.6608773E+00 (-1/4)Del**2(Rho)) -0.1652193E+00 Diamond 0.2040857E+01 Metallicity 0.6949514E+01 Ellipticity 0.1391591E-01 Gb(Abramov) 0.3015119E+00 Vb(Abramov) -0.4378044E+00 Hb(Abramov) -0.1362926E+00 Ex_ueg -0.8460994E-01 Ec_ueg -0.1151179E-01 Delta_ex -0.7724655E-01 Delta_ec 0.1789944E-01 Delta_et -0.2534369E+00 Pxc 0.7349854E+01 Qxc -0.4315585E+01 3,-1 126 3 -1 0.186762 -0.406586 2.390261 Rho 0.3841729E-01 |GRAD(Rho)| 0.4772330E-16 GRAD(Rho)x 0.1532733E-16 GRAD(Rho)y 0.2298900E-17 GRAD(Rho)z -0.4513648E-16 Laplacian 0.1467892E+00 (-1/4)Del**2(Rho)) -0.3669731E-01 Diamond 0.5161963E-01 Metallicity 0.2053352E+01 Ellipticity 0.2348788E-01 Gb(Abramov) 0.3702362E-01 Vb(Abramov) -0.3734994E-01 Hb(Abramov) -0.3263119E-03 Ex_ueg -0.9573865E-02 Ec_ueg -0.1785417E-02 Delta_ex -0.1129053E-01 Delta_ec 0.4339589E-02 Delta_et -0.4265626E-01 Pxc 0.5362258E+01 Qxc -0.2601751E+01 3,-1 127 3 +1 -1.243609 -0.078003 1.605497 Rho 0.6560849E-02 |GRAD(Rho)| 0.1965170E-16 GRAD(Rho)x -0.2720035E-17 GRAD(Rho)y -0.7983286E-18 GRAD(Rho)z 0.1944616E-16 Laplacian 0.2654036E-01 (-1/4)Del**2(Rho)) -0.6635089E-02 Diamond 0.6704008E-03 Metallicity 0.5969984E+00 Ellipticity -0.1721875E+01 Gb(Abramov) 0.5083582E-02 Vb(Abramov) -0.3532076E-02 Hb(Abramov) 0.1551507E-02 Ex_ueg -0.9071209E-03 Ec_ueg -0.2146888E-03 Delta_ex -0.1248791E-02 Delta_ec 0.5799260E-03 Delta_et -0.3515740E-02 Pxc 0.4225283E+01 Qxc -0.2153363E+01 3,+1 128 3 -1 -0.145719 -0.021395 4.556079 Rho 0.2249442E+00 |GRAD(Rho)| 0.1375288E-14 GRAD(Rho)x 0.8341242E-16 GRAD(Rho)y -0.2550450E-15 GRAD(Rho)z -0.1348856E-14 Laplacian 0.8253360E+00 (-1/4)Del**2(Rho)) -0.2063340E+00 Diamond 0.2709529E+01 Metallicity 0.6946624E+01 Ellipticity 0.1873494E-01 Gb(Abramov) 0.3764434E+00 Vb(Abramov) -0.5465529E+00 Hb(Abramov) -0.1701095E+00 Ex_ueg -0.1010380E+00 Ec_ueg -0.1340456E-01 Delta_ex -0.9810532E-01 Delta_ec 0.1867870E-01 Delta_et -0.2584183E+00 Pxc 0.7537584E+01 Qxc -0.5252255E+01 3,-1 129 3 -1 0.973045 -0.129660 3.515904 Rho 0.1130780E+00 |GRAD(Rho)| 0.1975302E-15 GRAD(Rho)x 0.1794761E-15 GRAD(Rho)y -0.8070106E-16 GRAD(Rho)z -0.1714225E-16 Laplacian 0.4591366E+00 (-1/4)Del**2(Rho)) -0.1147842E+00 Diamond 0.6535107E+00 Metallicity 0.3968579E+01 Ellipticity 0.1958025E-02 Gb(Abramov) 0.1524444E+00 Vb(Abramov) -0.1901047E+00 Hb(Abramov) -0.3766028E-01 Ex_ueg -0.4038525E-01 Ec_ueg -0.6123866E-02 Delta_ex -0.4592788E-01 Delta_ec 0.1222899E-01 Delta_et -0.1551735E+00 Pxc 0.6594731E+01 Qxc -0.3755656E+01 3,-1 130 3 -1 1.372425 2.018619 -0.022228 Rho 0.4249179E-01 |GRAD(Rho)| 0.6274906E-15 GRAD(Rho)x -0.3470230E-15 GRAD(Rho)y 0.3659799E-15 GRAD(Rho)z 0.3733340E-15 Laplacian 0.1638428E+00 (-1/4)Del**2(Rho)) -0.4096070E-01 Diamond 0.6616194E-01 Metallicity 0.2176177E+01 Ellipticity 0.1705015E-01 Gb(Abramov) 0.4216342E-01 Vb(Abramov) -0.4336614E-01 Hb(Abramov) -0.1202719E-02 Ex_ueg -0.1095112E-01 Ec_ueg -0.2004257E-02 Delta_ex -0.1292605E-01 Delta_ec 0.4848214E-02 Delta_et -0.4896498E-01 Pxc 0.5463929E+01 Qxc -0.2666146E+01 3,-1 131 3 +1 0.900414 2.488237 -0.638028 Rho 0.2556169E-01 |GRAD(Rho)| 0.4323978E-13 GRAD(Rho)x -0.3149240E-13 GRAD(Rho)y 0.1579475E-13 GRAD(Rho)z -0.2506857E-13 Laplacian 0.1011952E+00 (-1/4)Del**2(Rho)) -0.2529879E-01 Diamond 0.1422241E-01 Metallicity 0.1510437E+01 Ellipticity -0.4653053E+01 Gb(Abramov) 0.2323457E-01 Vb(Abramov) -0.2117034E-01 Hb(Abramov) 0.2064224E-02 Ex_ueg -0.5561234E-02 Ec_ueg -0.1117036E-02 Delta_ex -0.6392019E-02 Delta_ec 0.1825650E-02 Delta_et -0.1617959E-01 Pxc 0.4978563E+01 Qxc -0.3501229E+01 3,+1 132 3 -1 1.888313 3.069666 0.673926 Rho 0.1195775E+00 |GRAD(Rho)| 0.5904631E-14 GRAD(Rho)x 0.3956830E-14 GRAD(Rho)y -0.2556000E-14 GRAD(Rho)z -0.3560201E-14 Laplacian 0.4747091E+00 (-1/4)Del**2(Rho)) -0.1186773E+00 Diamond 0.7337229E+00 Metallicity 0.4213099E+01 Ellipticity 0.2719893E-01 Gb(Abramov) 0.1624514E+00 Vb(Abramov) -0.2062255E+00 Hb(Abramov) -0.4377409E-01 Ex_ueg -0.4350955E-01 Ec_ueg -0.6525549E-02 Delta_ex -0.4827188E-01 Delta_ec 0.1274611E-01 Delta_et -0.1637696E+00 Pxc 0.6667569E+01 Qxc -0.3787186E+01 3,-1 133 3 +3 0.552275 3.151454 -0.013831 Rho 0.1233604E-01 |GRAD(Rho)| 0.2145308E-16 GRAD(Rho)x -0.5259038E-17 GRAD(Rho)y 0.1562675E-16 GRAD(Rho)z 0.1372522E-16 Laplacian 0.5665763E-01 (-1/4)Del**2(Rho)) -0.1416441E-01 Diamond 0.1243727E-02 Metallicity 0.8010282E+00 Ellipticity -0.6209791E+00 Gb(Abramov) 0.1133395E-01 Vb(Abramov) -0.8503499E-02 Hb(Abramov) 0.2830454E-02 Ex_ueg -0.2105165E-02 Ec_ueg -0.4751040E-03 Delta_ex -0.2495017E-02 Delta_ec 0.1813305E-03 Delta_et -0.1788315E-02 Pxc 0.4430956E+01 Qxc -0.1375950E+02 3,+3 134 3 -1 0.488147 3.322365 -1.520388 Rho 0.1515146E+00 |GRAD(Rho)| 0.4861338E-15 GRAD(Rho)x -0.4680501E-15 GRAD(Rho)y -0.5444050E-16 GRAD(Rho)z -0.1195468E-15 Laplacian 0.5949418E+00 (-1/4)Del**2(Rho)) -0.1487354E+00 Diamond 0.1221628E+01 Metallicity 0.4987652E+01 Ellipticity 0.3673205E-01 Gb(Abramov) 0.2227971E+00 Vb(Abramov) -0.2968587E+00 Hb(Abramov) -0.7406162E-01 Ex_ueg -0.5965649E-01 Ec_ueg -0.8540540E-02 Delta_ex -0.6406241E-01 Delta_ec 0.1508091E-01 Delta_et -0.2010908E+00 Pxc 0.6985095E+01 Qxc -0.4247915E+01 3,-1 135 3 +1 0.914614 2.489735 0.599282 Rho 0.2558136E-01 |GRAD(Rho)| 0.1068529E-15 GRAD(Rho)x 0.4459446E-16 GRAD(Rho)y 0.8165506E-16 GRAD(Rho)z 0.5254843E-16 Laplacian 0.1013604E+00 (-1/4)Del**2(Rho)) -0.2534011E-01 Diamond 0.1429346E-01 Metallicity 0.1509908E+01 Ellipticity -0.4744881E+01 Gb(Abramov) 0.2327028E-01 Vb(Abramov) -0.2120045E-01 Hb(Abramov) 0.2069829E-02 Ex_ueg -0.5566939E-02 Ec_ueg -0.1118029E-02 Delta_ex -0.6407213E-02 Delta_ec 0.1834791E-02 Delta_et -0.1626246E-01 Pxc 0.4979244E+01 Qxc -0.3492068E+01 3,+1 136 3 -1 2.468122 -0.323438 -2.699591 Rho 0.1691349E+00 |GRAD(Rho)| 0.3255171E-11 GRAD(Rho)x 0.1772874E-11 GRAD(Rho)y -0.1049391E-11 GRAD(Rho)z 0.2520284E-11 Laplacian 0.6630135E+00 (-1/4)Del**2(Rho)) -0.1657534E+00 Diamond 0.1546683E+01 Metallicity 0.5376249E+01 Ellipticity 0.3437083E-01 Gb(Abramov) 0.2590242E+00 Vb(Abramov) -0.3522950E+00 Hb(Abramov) -0.9327079E-01 Ex_ueg -0.6908164E-01 Ec_ueg -0.9679472E-02 Delta_ex -0.7330612E-01 Delta_ec 0.1623837E-01 Delta_et -0.2193030E+00 Pxc 0.7136922E+01 Qxc -0.4514375E+01 3,-1 137 3 -1 3.147562 -0.760732 -0.924728 Rho 0.1567359E+00 |GRAD(Rho)| 0.8184900E-13 GRAD(Rho)x -0.3582472E-14 GRAD(Rho)y 0.3727660E-14 GRAD(Rho)z -0.8168555E-13 Laplacian 0.6506629E+00 (-1/4)Del**2(Rho)) -0.1626657E+00 Diamond 0.1381929E+01 Metallicity 0.4825453E+01 Ellipticity 0.1296673E-01 Gb(Abramov) 0.2392665E+00 Vb(Abramov) -0.3158672E+00 Hb(Abramov) -0.7660073E-01 Ex_ueg -0.6241321E-01 Ec_ueg -0.8876096E-02 Delta_ex -0.7056004E-01 Delta_ec 0.1619308E-01 Delta_et -0.2165139E+00 Pxc 0.7031606E+01 Qxc -0.4357419E+01 3,-1 138 3 -1 -1.930611 0.872757 -0.727005 Rho 0.4656858E-01 |GRAD(Rho)| 0.2282107E-15 GRAD(Rho)x -0.8353326E-16 GRAD(Rho)y -0.1926672E-15 GRAD(Rho)z 0.8934009E-16 Laplacian 0.1212614E+00 (-1/4)Del**2(Rho)) -0.3031534E-01 Diamond 0.8594696E-01 Metallicity 0.3425408E+01 Ellipticity 0.3159236E-02 Gb(Abramov) 0.3751730E-01 Vb(Abramov) -0.4471925E-01 Hb(Abramov) -0.7201954E-02 Ex_ueg -0.1237397E-01 Ec_ueg -0.2226094E-02 Delta_ex -0.1123287E-01 Delta_ec 0.6164902E-02 Delta_et -0.6438154E-01 Pxc 0.5558601E+01 Qxc -0.1822068E+01 3,-1 139 3 -1 -1.926358 0.881011 0.724333 Rho 0.4075888E-01 |GRAD(Rho)| 0.5742462E-16 GRAD(Rho)x -0.2650548E-16 GRAD(Rho)y -0.1226125E-16 GRAD(Rho)z -0.4944399E-16 Laplacian 0.1129666E+00 (-1/4)Del**2(Rho)) -0.2824165E-01 Diamond 0.6444745E-01 Metallicity 0.2944648E+01 Ellipticity 0.1983837E-03 Gb(Abramov) 0.3268806E-01 Vb(Abramov) -0.3713446E-01 Hb(Abramov) -0.4446404E-02 Ex_ueg -0.1035972E-01 Ec_ueg -0.1910817E-02 Delta_ex -0.1002829E-01 Delta_ec 0.5500256E-02 Delta_et -0.5521201E-01 Pxc 0.5421617E+01 Qxc -0.1823240E+01 3,-1 140 3 -1 -1.012298 -0.160022 -3.420549 Rho 0.2234690E+00 |GRAD(Rho)| 0.5503194E-15 GRAD(Rho)x 0.4989498E-15 GRAD(Rho)y -0.6640738E-16 GRAD(Rho)z -0.2224647E-15 Laplacian 0.8715364E+00 (-1/4)Del**2(Rho)) -0.2178841E+00 Diamond 0.2791373E+01 Metallicity 0.6506636E+01 Ellipticity 0.1421519E-01 Gb(Abramov) 0.3815381E+00 Vb(Abramov) -0.5451922E+00 Hb(Abramov) -0.1636541E+00 Ex_ueg -0.1001555E+00 Ec_ueg -0.1330386E-01 Delta_ex -0.1031439E+00 Delta_ec 0.1926741E-01 Delta_et -0.2644881E+00 Pxc 0.7528302E+01 Qxc -0.5353284E+01 3,-1 141 3 -1 -1.019310 -0.165814 3.349755 Rho 0.2200447E+00 |GRAD(Rho)| 0.4659274E-15 GRAD(Rho)x -0.4523291E-15 GRAD(Rho)y 0.3128516E-17 GRAD(Rho)z -0.1116999E-15 Laplacian 0.8643016E+00 (-1/4)Del**2(Rho)) -0.2160754E+00 Diamond 0.2711293E+01 Metallicity 0.6394396E+01 Ellipticity 0.1837269E-01 Gb(Abramov) 0.3743289E+00 Vb(Abramov) -0.5325823E+00 Hb(Abramov) -0.1582535E+00 Ex_ueg -0.9811447E-01 Ec_ueg -0.1307058E-01 Delta_ex -0.1018428E+00 Delta_ec 0.1912933E-01 Delta_et -0.2621485E+00 Pxc 0.7506511E+01 Qxc -0.5323909E+01 3,-1 142 3 -1 -0.785580 0.000555 -0.013485 Rho 0.2153021E+00 |GRAD(Rho)| 0.1888345E-12 GRAD(Rho)x -0.1875685E-12 GRAD(Rho)y 0.1899734E-13 GRAD(Rho)z 0.1075219E-13 Laplacian 0.8468462E+00 (-1/4)Del**2(Rho)) -0.2117116E+00 Diamond 0.2796417E+01 Metallicity 0.6293455E+01 Ellipticity 0.6997717E-02 Gb(Abramov) 0.3632072E+00 Vb(Abramov) -0.5147029E+00 Hb(Abramov) -0.1514957E+00 Ex_ueg -0.9530510E-01 Ec_ueg -0.1274855E-01 Delta_ex -0.1005074E+00 Delta_ec 0.2115198E-01 Delta_et -0.2985555E+00 Pxc 0.7475758E+01 Qxc -0.4751676E+01 3,-1 143 3 -1 -2.104268 1.498969 1.202991 Rho 0.3095738E+00 |GRAD(Rho)| 0.1830246E-13 GRAD(Rho)x 0.1580073E-13 GRAD(Rho)y 0.9038879E-15 GRAD(Rho)z 0.9192392E-14 Laplacian -0.1560173E+01 (-1/4)Del**2(Rho)) 0.3900433E+00 Diamond 0.5328023E+01 Metallicity -0.6257210E+01 Ellipticity 0.1849349E-02 Gb(Abramov) 0.1467349E+00 Vb(Abramov) -0.6835131E+00 Hb(Abramov) -0.5367782E+00 Ex_ueg -0.1546693E+00 Ec_ueg -0.1938132E-01 Delta_ex 0.1530223E+00 Delta_ec 0.5503309E-01 Delta_et -0.1286559E+01 Pxc 0.7980328E+01 Qxc 0.2780551E+01 3,-1 144 3 -1 -0.501225 -3.098448 -1.669261 Rho 0.2152185E+00 |GRAD(Rho)| 0.1951296E-15 GRAD(Rho)x -0.1698945E-15 GRAD(Rho)y -0.3575580E-16 GRAD(Rho)z 0.8906721E-16 Laplacian 0.8245209E+00 (-1/4)Del**2(Rho)) -0.2061302E+00 Diamond 0.2544580E+01 Metallicity 0.6459680E+01 Ellipticity 0.1301487E-01 Gb(Abramov) 0.3593427E+00 Vb(Abramov) -0.5125551E+00 Hb(Abramov) -0.1532125E+00 Ex_ueg -0.9525577E-01 Ec_ueg -0.1274289E-01 Delta_ex -0.9675948E-01 Delta_ec 0.1865296E-01 Delta_et -0.2564670E+00 Pxc 0.7475210E+01 Qxc -0.5187352E+01 3,-1 145 3 -1 0.515410 3.316761 1.503235 Rho 0.1520444E+00 |GRAD(Rho)| 0.3154485E-14 GRAD(Rho)x -0.3133968E-14 GRAD(Rho)y 0.1012374E-15 GRAD(Rho)z -0.3446340E-15 Laplacian 0.5979306E+00 (-1/4)Del**2(Rho)) -0.1494826E+00 Diamond 0.1230688E+01 Metallicity 0.4991678E+01 Ellipticity 0.4290328E-01 Gb(Abramov) 0.2240166E+00 Vb(Abramov) -0.2985506E+00 Hb(Abramov) -0.7453398E-01 Ex_ueg -0.5993480E-01 Ec_ueg -0.8574514E-02 Delta_ex -0.6441771E-01 Delta_ec 0.1510445E-01 Delta_et -0.2014097E+00 Pxc 0.6989876E+01 Qxc -0.4264817E+01 3,-1 146 3 -1 2.693108 -1.597779 1.998329 Rho 0.1370436E+00 |GRAD(Rho)| 0.2235697E-13 GRAD(Rho)x 0.2002741E-13 GRAD(Rho)y 0.7568951E-14 GRAD(Rho)z 0.6438006E-14 Laplacian 0.5570494E+00 (-1/4)Del**2(Rho)) -0.1392624E+00 Diamond 0.1036597E+01 Metallicity 0.4506271E+01 Ellipticity 0.9772775E-02 Gb(Abramov) 0.1974339E+00 Vb(Abramov) -0.2556054E+00 Hb(Abramov) -0.5817152E-01 Ex_ueg -0.5218311E-01 Ec_ueg -0.7619348E-02 Delta_ex -0.5878358E-01 Delta_ec 0.1492812E-01 Delta_et -0.1970713E+00 Pxc 0.6848763E+01 Qxc -0.3937775E+01 3,-1 147 3 -1 -1.373390 2.598830 -1.606045 Rho 0.1468346E+00 |GRAD(Rho)| 0.3180614E-15 GRAD(Rho)x -0.2844133E-15 GRAD(Rho)y -0.1375582E-15 GRAD(Rho)z 0.3674090E-16 Laplacian 0.5568911E+00 (-1/4)Del**2(Rho)) -0.1392228E+00 Diamond 0.1116030E+01 Metallicity 0.5056967E+01 Ellipticity 0.9499929E-01 Gb(Abramov) 0.2101560E+00 Vb(Abramov) -0.2810892E+00 Hb(Abramov) -0.7093323E-01 Ex_ueg -0.5721231E-01 Ec_ueg -0.8241190E-02 Delta_ex -0.5965689E-01 Delta_ec 0.1449783E-01 Delta_et -0.1930715E+00 Pxc 0.6942239E+01 Qxc -0.4114884E+01 3,-1 148 3 -1 -1.347341 2.604616 1.611749 Rho 0.1459168E+00 |GRAD(Rho)| 0.1487968E-12 GRAD(Rho)x -0.1394987E-12 GRAD(Rho)y -0.5164733E-13 GRAD(Rho)z -0.3625308E-14 Laplacian 0.5511745E+00 (-1/4)Del**2(Rho)) -0.1377936E+00 Diamond 0.1098108E+01 Metallicity 0.5056299E+01 Ellipticity 0.9398561E-01 Gb(Abramov) 0.2079834E+00 Vb(Abramov) -0.2781731E+00 Hb(Abramov) -0.7018974E-01 Ex_ueg -0.5673599E-01 Ec_ueg -0.8182643E-02 Delta_ex -0.5897308E-01 Delta_ec 0.1440463E-01 Delta_et -0.1917252E+00 Pxc 0.6933700E+01 Qxc -0.4094036E+01 3,-1 149 3 -1 2.694296 -1.580581 -2.033867 Rho 0.1780718E+00 |GRAD(Rho)| 0.3190946E-13 GRAD(Rho)x 0.2932768E-13 GRAD(Rho)y 0.8698391E-14 GRAD(Rho)z -0.9079570E-14 Laplacian 0.6929606E+00 (-1/4)Del**2(Rho)) -0.1732401E+00 Diamond 0.1723719E+01 Metallicity 0.5604842E+01 Ellipticity 0.4618754E-01 Gb(Abramov) 0.2773240E+00 Vb(Abramov) -0.3814079E+00 Hb(Abramov) -0.1040839E+00 Ex_ueg -0.7399097E-01 Ec_ueg -0.1026413E-01 Delta_ex -0.7764499E-01 Delta_ec 0.1680293E-01 Delta_et -0.2283965E+00 Pxc 0.7208695E+01 Qxc -0.4620919E+01 3,-1 150 3 -1 -0.432732 -3.149541 1.550078 Rho 0.1226664E+00 |GRAD(Rho)| 0.2527488E-15 GRAD(Rho)x 0.2522938E-15 GRAD(Rho)y 0.8129399E-17 GRAD(Rho)z -0.1279359E-16 Laplacian 0.4851845E+00 (-1/4)Del**2(Rho)) -0.1212961E+00 Diamond 0.8026428E+00 Metallicity 0.4301128E+01 Ellipticity 0.1090853E+00 Gb(Abramov) 0.1678158E+00 Vb(Abramov) -0.2143354E+00 Hb(Abramov) -0.4651964E-01 Ex_ueg -0.4501451E-01 Ec_ueg -0.6717488E-02 Delta_ex -0.5002098E-01 Delta_ec 0.1363310E-01 Delta_et -0.1771037E+00 Pxc 0.6701093E+01 Qxc -0.3669082E+01 3,-1 151 3 -1 1.880292 3.063971 -0.735121 Rho 0.1210395E+00 |GRAD(Rho)| 0.3715567E-15 GRAD(Rho)x 0.2050226E-15 GRAD(Rho)y 0.2583993E-15 GRAD(Rho)z -0.1710261E-15 Laplacian 0.4839242E+00 (-1/4)Del**2(Rho)) -0.1209811E+00 Diamond 0.7577016E+00 Metallicity 0.4217427E+01 Ellipticity 0.3086752E-01 Gb(Abramov) 0.1656922E+00 Vb(Abramov) -0.2104033E+00 Hb(Abramov) -0.4471110E-01 Ex_ueg -0.4422024E-01 Ec_ueg -0.6616310E-02 Delta_ex -0.4933484E-01 Delta_ec 0.1292657E-01 Delta_et -0.1663902E+00 Pxc 0.6683520E+01 Qxc -0.3816544E+01 3,-1 152 3 -1 -1.428413 -3.050102 0.546722 Rho 0.3215911E+00 |GRAD(Rho)| 0.5152138E-15 GRAD(Rho)x 0.1527818E-15 GRAD(Rho)y -0.1703592E-15 GRAD(Rho)z 0.4616067E-15 Laplacian -0.1594378E+01 (-1/4)Del**2(Rho)) 0.3985945E+00 Diamond 0.5623448E+01 Metallicity -0.6524220E+01 Ellipticity 0.3268463E-02 Gb(Abramov) 0.1676900E+00 Vb(Abramov) -0.7339746E+00 Hb(Abramov) -0.5662845E+00 Ex_ueg -0.1627261E+00 Ec_ueg -0.2026208E-01 Delta_ex 0.1590171E+00 Delta_ec 0.5574262E-01 Delta_et -0.1325486E+01 Pxc 0.8031065E+01 Qxc 0.2852702E+01 3,-1 153 3 -1 0.778977 -3.259921 0.832363 Rho 0.1097911E+00 |GRAD(Rho)| 0.2671658E-15 GRAD(Rho)x 0.9547078E-16 GRAD(Rho)y -0.1518307E-15 GRAD(Rho)z -0.1980160E-15 Laplacian 0.4704187E+00 (-1/4)Del**2(Rho)) -0.1176047E+00 Diamond 0.6813982E+00 Metallicity 0.3687573E+01 Ellipticity 0.2618262E-01 Gb(Abramov) 0.1506824E+00 Vb(Abramov) -0.1837602E+00 Hb(Abramov) -0.3307775E-01 Ex_ueg -0.3882768E-01 Ec_ueg -0.5921888E-02 Delta_ex -0.4725974E-01 Delta_ec 0.1356360E-01 Delta_et -0.1725706E+00 Pxc 0.6556638E+01 Qxc -0.3484307E+01 3,-1 154 3 -1 0.721154 -3.244970 -0.924119 Rho 0.1597154E+00 |GRAD(Rho)| 0.5653396E-15 GRAD(Rho)x -0.1450256E-15 GRAD(Rho)y 0.6430674E-17 GRAD(Rho)z -0.5463837E-15 Laplacian 0.6498184E+00 (-1/4)Del**2(Rho)) -0.1624546E+00 Diamond 0.1417658E+01 Metallicity 0.4985775E+01 Ellipticity 0.1129324E-01 Gb(Abramov) 0.2432967E+00 Vb(Abramov) -0.3241389E+00 Hb(Abramov) -0.8084214E-01 Ex_ueg -0.6400014E-01 Ec_ueg -0.9068315E-02 Delta_ex -0.7085282E-01 Delta_ec 0.1619247E-01 Delta_et -0.2172743E+00 Pxc 0.7057556E+01 Qxc -0.4375664E+01 3,-1 155 3 -1 -2.106306 1.478917 -1.181918 Rho 0.3050607E+00 |GRAD(Rho)| 0.1009444E-12 GRAD(Rho)x -0.9462303E-13 GRAD(Rho)y -0.7843899E-14 GRAD(Rho)z -0.3427431E-13 Laplacian -0.1519216E+01 (-1/4)Del**2(Rho)) 0.3798041E+00 Diamond 0.5147846E+01 Metallicity -0.6270526E+01 Ellipticity 0.1309959E-02 Gb(Abramov) 0.1437258E+00 Vb(Abramov) -0.6672557E+00 Hb(Abramov) -0.5235299E+00 Ex_ueg -0.1516701E+00 Ec_ueg -0.1905263E-01 Delta_ex 0.1479485E+00 Delta_ec 0.5394094E-01 Delta_et -0.1252207E+01 Pxc 0.7960589E+01 Qxc 0.2742787E+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 64 154 144 72 63 71 101 117 148 99 93 145 54 109 80 120 146 110 123 104 100 140 60 118 116 130 114 115 151 132 128 126 141 103 62 129 65 150 153 66 73 70 56 119 137 136 149 122 96 95 147 90 134 91 124 142 139 138 102 125 152 88 89 155 143 50 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 15 16 17 19 21 21 23 26 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 36 45 46 36 36 47 23 28 46 45 47 2.496458 1.892132 1.785343 2.138720 1.979769 1.765506 1.767035 2.456104 1.941690 1.878778 1.996539 1.918777 1.751413 2.596238 2.021120 2.082059 1.954644 1.938653 1.801708 2.451735 1.968461 1.769885 2.110022 1.942702 1.756749 2.440062 1.859266 1.852012 2.009010 2.014258 1.768093 2.481442 1.776090 2.042536 1.928485 2.038403 2.533583 2.007381 2.030893 2.005751 1.992584 1.798471 2.614995 2.069702 1.898608 1.877751 1.856319 1.760247 2.451451 1.926029 1.938925 1.751279 1.920518 1.935714 1.582651 1.531319 1.766630 1.709527 1.610680 1.570177 0.993182 2.884918 2.963352 1.009620 1.004795 1.826602 2.497513 1.892404 1.785404 2.139216 1.980358 1.765530 1.767057 2.457255 1.942831 1.879324 1.997064 1.919270 1.751422 2.597593 2.021435 2.082281 1.954876 1.938967 1.801719 2.453002 1.968775 1.769943 2.110530 1.943235 1.756757 2.441213 1.859705 1.852294 2.009565 2.014802 1.768115 2.482596 1.776224 2.042758 1.928906 2.038893 2.534881 2.008315 2.031153 2.006139 1.992895 1.798472 2.615880 2.070041 1.898998 1.878215 1.856629 1.760265 2.452641 1.926553 1.940065 1.751283 1.921056 1.936209 1.582664 1.531390 1.774027 1.714293 1.610711 1.570244 0.993240 2.903301 2.970919 1.009686 1.004870 1.832938 29 25 22 25 26 22 22 27 23 26 23 23 26 29 27 25 23 25 24 27 23 23 28 24 23 27 24 24 24 25 23 29 24 25 25 26 29 24 25 25 25 22 29 25 25 24 22 25 27 25 23 21 25 23 22 21 25 22 23 22 18 33 33 18 19 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 47 W O W Ta W W W O O Ta 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 P O O O O O O O O H H H 2.3263 -0.8774 2.4144 2.1737 2.3306 2.4431 2.3066 -0.8540 -0.8835 2.1661 2.3833 2.4148 -1.0309 -0.9239 -1.0678 -1.0279 -0.8876 -0.9799 -0.8443 -0.9586 -0.8077 -0.9951 -0.8062 -0.9966 -0.9647 -0.8836 -0.9643 -0.8370 -0.9935 -0.8401 -0.9959 -1.0261 -0.9796 -0.9830 -1.0419 2.2307 -0.9574 -1.0384 -1.0172 -0.9952 -0.8784 -0.8697 -0.8405 -0.9662 0.2736 0.2760 0.2748 2.1352 1.9509 2.1088 2.1194 2.1328 2.0986 2.1415 1.9557 1.9497 2.1273 2.1112 2.1081 1.8967 1.9095 1.8941 1.8949 1.8659 1.9269 1.9533 1.9332 1.8729 1.9268 1.8730 1.9273 1.9292 1.9532 1.9333 1.9539 1.9369 1.9567 1.9372 1.9319 1.9386 1.9344 1.9276 2.5679 1.9379 1.9302 1.9339 1.9372 1.9517 1.9533 1.9570 1.9379 0.5705 0.5617 0.5749 6.1265 4.8955 6.1037 6.0873 6.1197 6.0929 6.1277 4.8659 4.9031 6.0976 6.1101 6.1056 5.0972 4.9733 5.1357 5.0969 4.9952 5.0246 4.8602 4.9954 4.9047 5.0416 4.9029 5.0417 5.0066 4.8989 5.0018 4.8518 5.0280 4.8503 5.0285 5.0660 5.0110 5.0183 5.0881 7.3879 4.9939 5.0826 5.0530 5.0278 4.8956 4.8844 4.8504 5.0028 0.1559 0.1623 0.1502 3.3831 0.0309 3.3438 2.5853 3.3880 3.3356 3.3952 0.0324 0.0307 2.5749 3.3660 3.3422 0.0370 0.0411 0.0380 0.0362 0.0265 0.0283 0.0308 0.0300 0.0301 0.0267 0.0302 0.0276 0.0289 0.0316 0.0292 0.0313 0.0286 0.0331 0.0302 0.0283 0.0300 0.0304 0.0262 0.8135 0.0256 0.0255 0.0303 0.0302 0.0311 0.0320 0.0331 0.0254 0.0000 0.0000 0.0000 14.0289 0.0000 14.0292 14.0343 14.0289 14.0298 14.0290 0.0000 0.0000 14.0341 14.0294 14.0293 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 W O W Ta W W W O O Ta 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 P O O O O O O O O H H H 2.472282 -0.934583 2.499486 2.353183 2.476854 2.498231 2.471014 -0.901778 -0.945273 2.366566 2.484604 2.503160 -1.026648 -0.811818 -1.037077 -1.031082 -0.723621 -0.993108 -0.905192 -0.977220 -0.655410 -1.019610 -0.651053 -1.012392 -0.983691 -0.871554 -0.988614 -0.896799 -1.004859 -0.885374 -0.990082 -1.028120 -0.992969 -0.992778 -1.063058 1.998404 -1.050691 -1.056134 -1.005680 -0.989685 -0.934729 -0.922175 -0.885591 -1.057965 0.043138 0.039840 0.019649 1.924928 -0.857686 1.945217 1.835500 1.931401 1.930561 1.935578 -0.819420 -0.868887 1.875541 1.924584 1.943932 -0.718486 -0.690763 -0.719518 -0.723902 -0.937020 -0.734800 -0.812555 -0.754586 -0.817950 -0.768702 -0.817560 -0.778197 -0.743263 -0.785136 -0.771838 -0.810709 -0.842370 -0.784757 -0.821186 -0.839844 -0.838297 -0.813131 -0.892926 1.596183 -0.988049 -0.887398 -0.819562 -0.820191 -0.857070 -0.842431 -0.784125 -1.006809 0.315001 0.307564 0.303134 2.038411 -0.833200 2.035752 1.954389 2.031520 2.036004 2.038614 -0.779326 -0.840823 2.006568 2.034233 2.036258 -0.791459 -0.701049 -0.809545 -0.813126 -0.947540 -0.823986 -0.832776 -0.824540 -0.851520 -0.868814 -0.848845 -0.870520 -0.823585 -0.832560 -0.835848 -0.822494 -0.873449 -0.761569 -0.866747 -0.898547 -0.860631 -0.849933 -0.944493 1.555084 -0.981268 -0.939526 -0.885515 -0.866522 -0.832074 -0.807976 -0.759287 -0.976815 0.372818 0.366334 0.349921 -28.20253547 6.95103166 -4.67525316 29.42036438 79.95887719 26.39906368 -12.31296863 -30.42707152 13.56856247 -49.53180566 -321.3634 356.4545 7.0065 -373.9434 -79.5945 -411.4404 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 0 Apr19-2024 15:43:02 Nodes: 1 Procs: 1 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr19-2024 15:43:03 Nodes: 1 Procs: 1 Apr19-2024 15:43:04 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Apr19-2024 15:43:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr19-2024 15:43:07 Nodes: 1 Procs: 1 Apr19-2024 15:43:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr19-2024 15:43:10 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -14.97177902 -15.07248029 -15.09362384 -15.09756697 -15.09897895 -15.10206664 -15.10509532 -15.10595728 -15.10855705 -15.11076406 -15.11286298 -15.11463366 -15.11629024 -15.11683878 -15.11795047 -15.11866835 -15.11886656 -15.11924388 -15.11955955 -15.11966149 -15.11985332 -15.11991224 -15.12000699 -15.12010773 -15.12014494 -15.12015655 GEOMETRY CONVERGED