ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.05 1.87 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun19-2024 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 1.91 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 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:53 Nodes: 1 Procs: 1 Jun19-2024 11:54:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.07 3.01 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 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:53 Nodes: 1 Procs: 1 Jun19-2024 11:54:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:56 Nodes: 1 Procs: 1 Jun19-2024 11:54:59 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:55:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.92 0.03 1.28 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 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:53 Nodes: 1 Procs: 1 Jun19-2024 11:54:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:56 Nodes: 1 Procs: 1 Jun19-2024 11:54:59 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:55:03 Nodes: 1 Procs: 1 Jun19-2024 11:55:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:55:06 Hydrogen (TZP) c1-33 c1-33 c1-33 c1-33 c1-33 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.42 0.09 3.31 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 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:53 Nodes: 1 Procs: 1 Jun19-2024 11:54:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:56 Nodes: 1 Procs: 1 Jun19-2024 11:54:59 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:55:03 Nodes: 1 Procs: 1 Jun19-2024 11:55:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:55:06 Nodes: 1 Procs: 1 Jun19-2024 11:55:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:55:13 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2718.2461000000058 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun19-2024 11:54:59 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 11:54:54 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun19-2024 11:55:08 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 11:55:04 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 11:54:50 1 1 Hydrogen TZP 1 1 -16.30060971 0.30024746 0.00100000 F 0.10262435 0.00066667 F 0.30024746 0.10262435 0.26878980 0.01000000 F 0.06655937 0.00666667 F Cartesian 2718.2461000000058 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0.233653 -3.765608 3.736716 -0.233280 -3.897319 -3.647582 0.260838 -3.903149 0.380479 -3.590680 -3.791609 -0.171203 3.786524 3.775115 0.242462 3.765016 -0.641819 -3.441587 -1.335601 1 3 -3 0.113244 -2.584975 2.602104 Rho 0.3882646E+07 3,-3 2 3 -3 -0.062171 -0.085936 -0.059841 Rho 0.4276088E+05 3,-3 3 3 -3 0.114960 2.500350 -2.531222 Rho 0.4361414E+07 3,-3 4 3 -3 -0.084407 2.551118 2.523092 Rho 0.4361414E+07 3,-3 5 3 -3 2.447450 -2.672579 0.025987 Rho 0.4361415E+07 3,-3 6 3 -3 2.593387 2.532975 -0.127862 Rho 0.4361415E+07 3,-3 7 3 -3 -2.571736 2.495551 0.084052 Rho 0.4361414E+07 3,-3 8 3 -3 -2.593336 -2.539220 -0.078925 Rho 0.4361414E+07 3,-3 9 3 -3 -2.536142 -0.245407 -2.678500 Rho 0.4361415E+07 3,-3 10 3 -3 -2.547409 0.118595 2.596836 Rho 0.4361414E+07 3,-3 11 3 -3 2.575580 -0.156745 2.559045 Rho 0.4361415E+07 3,-3 12 3 -3 2.511938 -0.033942 -2.617069 Rho 0.4361415E+07 3,-3 13 3 -3 0.945167 -1.049279 0.930021 Rho 0.3190185E+03 3,-3 14 3 -3 -1.070770 -1.040928 -1.024688 Rho 0.3190839E+03 3,-3 15 3 -3 0.959408 0.900871 -1.021491 Rho 0.3190267E+03 3,-3 16 3 -3 -0.970587 0.945623 0.975188 Rho 0.3190105E+03 3,-3 17 3 -3 -3.037579 -1.100135 1.157831 Rho 0.3188651E+03 3,-3 18 3 -3 2.971764 -1.160584 -1.129063 Rho 0.3188093E+03 3,-3 19 3 -3 -2.999078 1.145974 -1.074645 Rho 0.3189922E+03 3,-3 20 3 -3 2.989240 1.197325 1.190163 Rho 0.3188438E+03 3,-3 21 3 -3 1.360791 -1.141291 -3.333299 Rho 0.3193232E+03 3,-3 22 3 -3 1.121205 1.148798 2.988805 Rho 0.3188747E+03 3,-3 23 3 -3 -1.153534 1.128747 -2.980993 Rho 0.3188250E+03 3,-3 24 3 -3 -1.229624 -1.134886 3.080021 Rho 0.3188759E+03 3,-3 25 3 -3 -1.131281 3.002003 -1.121786 Rho 0.3188572E+03 3,-3 26 3 -3 -1.249666 -3.006874 1.198818 Rho 0.3188479E+03 3,-3 27 3 -3 1.127448 3.023638 1.143289 Rho 0.3188790E+03 3,-3 28 3 -3 1.229760 -3.282335 -1.105912 Rho 0.3192241E+03 3,-3 29 3 -3 3.417630 -1.461193 1.549285 Rho 0.3190151E+03 3,-3 30 3 -3 -3.450213 -1.559136 -1.541036 Rho 0.3189084E+03 3,-3 31 3 -3 3.436202 1.571017 -1.458200 Rho 0.3190277E+03 3,-3 32 3 -3 -3.425880 1.542961 1.562845 Rho 0.3189337E+03 3,-3 33 3 -3 1.523485 -1.443606 3.495401 Rho 0.3189071E+03 3,-3 34 3 -3 1.547682 1.554844 -3.394998 Rho 0.3189293E+03 3,-3 35 3 -3 -1.523151 1.529571 3.437237 Rho 0.3189344E+03 3,-3 36 3 -3 -1.859464 -1.405628 -3.810605 Rho 0.3192674E+03 3,-3 37 3 -3 -1.612725 -3.667448 -1.332584 Rho 0.3187095E+03 3,-3 38 3 -3 -1.510931 3.397772 1.528536 Rho 0.3189462E+03 3,-3 39 3 -3 1.590824 -3.456135 1.582350 Rho 0.3188875E+03 3,-3 40 3 -3 1.482679 3.419468 -1.473756 Rho 0.3189251E+03 3,-3 41 3 -3 -0.207425 -3.814025 3.855450 Rho 0.3191459E+03 3,-3 42 3 -3 3.910494 -0.158488 -3.676545 Rho 0.3192244E+03 3,-3 43 3 -3 -0.220013 3.719990 -3.733050 Rho 0.3192875E+03 3,-3 44 3 -3 0.238009 3.757345 3.745240 Rho 0.3192704E+03 3,-3 45 3 -3 3.817616 -3.749557 -0.197698 Rho 0.3192296E+03 3,-3 46 3 -3 3.754049 3.787205 0.233653 Rho 0.3192706E+03 3,-3 47 3 -3 -3.765608 3.736716 -0.233280 Rho 0.3192554E+03 3,-3 48 3 -3 -3.897319 -3.647582 0.260838 Rho 0.3192863E+03 3,-3 49 3 -3 -3.903149 0.380479 -3.590680 Rho 0.3192311E+03 3,-3 50 3 -3 -3.791609 -0.171203 3.786524 Rho 0.3192777E+03 3,-3 51 3 -3 3.775115 0.242462 3.765016 Rho 0.3192669E+03 3,-3 52 3 -3 -0.641819 -3.441587 -1.335601 Rho 0.4412172E+00 3,-3 53 3 +3 -1.124077 -1.113613 1.184482 Rho 0.5267002E-02 |GRAD(Rho)| 0.5403638E-17 GRAD(Rho)x 0.3954876E-17 GRAD(Rho)y -0.3660964E-17 GRAD(Rho)z -0.3944609E-18 Laplacian 0.2005079E-01 (-1/4)Del**2(Rho)) -0.5012697E-02 Diamond 0.1460298E-03 Metallicity 0.5479667E+00 Ellipticity -0.1502646E+00 Gb(Abramov) 0.3799597E-02 Vb(Abramov) -0.2586496E-02 Hb(Abramov) 0.1213101E-02 Ex_ueg -0.6768146E-03 Ec_ueg -0.1584210E-03 Delta_ex -0.6990765E-03 Delta_ec 0.8161229E-04 Delta_et -0.6711201E-03 Pxc 0.4272252E+01 Qxc -0.8565823E+01 3,+3 54 3 -1 -2.812314 -1.772197 0.581161 Rho 0.1369573E+00 |GRAD(Rho)| 0.3881710E-13 GRAD(Rho)x 0.1009876E-13 GRAD(Rho)y -0.2566794E-14 GRAD(Rho)z 0.3739243E-13 Laplacian 0.5750679E+00 (-1/4)Del**2(Rho)) -0.1437670E+00 Diamond 0.1041914E+01 Metallicity 0.4360497E+01 Ellipticity 0.1226649E-01 Gb(Abramov) 0.2003272E+00 Vb(Abramov) -0.2568875E+00 Hb(Abramov) -0.5656026E-01 Ex_ueg -0.5213932E-01 Ec_ueg -0.7613896E-02 Delta_ex -0.6036762E-01 Delta_ec 0.1486307E-01 Delta_et -0.1951185E+00 Pxc 0.6847916E+01 Qxc -0.4061584E+01 3,-1 55 3 +1 -0.003084 -3.071589 0.045915 Rho 0.4634353E-02 |GRAD(Rho)| 0.1840009E-17 GRAD(Rho)x -0.5625555E-19 GRAD(Rho)y -0.8960546E-18 GRAD(Rho)z 0.1606099E-17 Laplacian 0.1797513E-01 (-1/4)Del**2(Rho)) -0.4493784E-02 Diamond 0.3864014E-03 Metallicity 0.4938437E+00 Ellipticity -0.3703567E+01 Gb(Abramov) 0.3365727E-02 Vb(Abramov) -0.2237670E-02 Hb(Abramov) 0.1128057E-02 Ex_ueg -0.5706509E-03 Ec_ueg -0.1312116E-03 Delta_ex -0.8888907E-03 Delta_ec 0.5805002E-03 Delta_et -0.3075566E-02 Pxc 0.4349089E+01 Qxc -0.1531250E+01 3,+1 56 3 -1 -1.736072 1.687196 0.521597 Rho 0.4655925E-01 |GRAD(Rho)| 0.5980163E-16 GRAD(Rho)x 0.2432001E-16 GRAD(Rho)y -0.3852433E-16 GRAD(Rho)z 0.3873820E-16 Laplacian 0.1864798E+00 (-1/4)Del**2(Rho)) -0.4661995E-01 Diamond 0.8490331E-01 Metallicity 0.2226681E+01 Ellipticity 0.1777829E-01 Gb(Abramov) 0.4838126E-01 Vb(Abramov) -0.5014257E-01 Hb(Abramov) -0.1761312E-02 Ex_ueg -0.1237067E-01 Ec_ueg -0.2225584E-02 Delta_ex -0.1503476E-01 Delta_ec 0.5483475E-02 Delta_et -0.5673270E-01 Pxc 0.5558392E+01 Qxc -0.2741831E+01 3,-1 57 3 +1 -2.946135 -0.287366 -0.287559 Rho 0.5953457E-02 |GRAD(Rho)| 0.1261277E-16 GRAD(Rho)x 0.2257591E-18 GRAD(Rho)y -0.1258119E-16 GRAD(Rho)z -0.8629467E-18 Laplacian 0.2483163E-01 (-1/4)Del**2(Rho)) -0.6207907E-02 Diamond 0.5217027E-03 Metallicity 0.5426961E+00 Ellipticity -0.1461159E+01 Gb(Abramov) 0.4700106E-02 Vb(Abramov) -0.3192305E-02 Hb(Abramov) 0.1507801E-02 Ex_ueg -0.7969126E-03 Ec_ueg -0.1881719E-03 Delta_ex -0.1122499E-02 Delta_ec 0.5052737E-03 Delta_et -0.3000704E-02 Pxc 0.4235024E+01 Qxc -0.2221566E+01 3,+1 58 3 +1 -1.746665 1.716629 -1.721407 Rho 0.1185351E-01 |GRAD(Rho)| 0.2008167E-13 GRAD(Rho)x 0.9988349E-14 GRAD(Rho)y 0.1646999E-13 GRAD(Rho)z 0.5678528E-14 Laplacian 0.5824687E-01 (-1/4)Del**2(Rho)) -0.1456172E-01 Diamond 0.2294365E-02 Metallicity 0.7290410E+00 Ellipticity -0.1277510E+01 Gb(Abramov) 0.1147716E-01 Vb(Abramov) -0.8392601E-02 Hb(Abramov) 0.3084557E-02 Ex_ueg -0.1996093E-02 Ec_ueg -0.4528105E-03 Delta_ex -0.2853653E-02 Delta_ec 0.7557219E-03 Delta_et -0.5649895E-02 Pxc 0.4408230E+01 Qxc -0.3776062E+01 3,+1 59 3 +1 -1.683255 0.488387 -0.534080 Rho 0.9651775E-02 |GRAD(Rho)| 0.8768018E-13 GRAD(Rho)x 0.5919439E-13 GRAD(Rho)y -0.5599382E-13 GRAD(Rho)z 0.3238102E-13 Laplacian 0.3686580E-01 (-1/4)Del**2(Rho)) -0.9216449E-02 Diamond 0.1179818E-02 Metallicity 0.8178397E+00 Ellipticity -0.1553824E+01 Gb(Abramov) 0.7400562E-02 Vb(Abramov) -0.5584676E-02 Hb(Abramov) 0.1815887E-02 Ex_ueg -0.1517730E-02 Ec_ueg -0.3522817E-03 Delta_ex -0.1744048E-02 Delta_ec 0.5360693E-03 Delta_et -0.3760380E-02 Pxc 0.4308286E+01 Qxc -0.3253401E+01 3,+1 60 3 -1 -2.946712 0.064989 0.086117 Rho 0.6474625E-02 |GRAD(Rho)| 0.1441300E-14 GRAD(Rho)x 0.2620936E-15 GRAD(Rho)y 0.1048772E-14 GRAD(Rho)z 0.9532738E-15 Laplacian 0.2585141E-01 (-1/4)Del**2(Rho)) -0.6462854E-02 Diamond 0.9921384E-03 Metallicity 0.5995424E+00 Ellipticity 0.1244288E+01 Gb(Abramov) 0.4954362E-02 Vb(Abramov) -0.3445869E-02 Hb(Abramov) 0.1508492E-02 Ex_ueg -0.8912603E-03 Ec_ueg -0.2109136E-03 Delta_ex -0.1443507E-02 Delta_ec 0.9768151E-03 Delta_et -0.5668544E-02 Pxc 0.4225712E+01 Qxc -0.1477769E+01 3,-1 61 3 +1 -2.933937 0.232440 0.262760 Rho 0.6401903E-02 |GRAD(Rho)| 0.4140771E-16 GRAD(Rho)x -0.3531582E-17 GRAD(Rho)y 0.2322544E-16 GRAD(Rho)z 0.3409847E-16 Laplacian 0.2695029E-01 (-1/4)Del**2(Rho)) -0.6737572E-02 Diamond 0.7760798E-03 Metallicity 0.5643713E+00 Ellipticity -0.2254842E+01 Gb(Abramov) 0.5125463E-02 Vb(Abramov) -0.3513355E-02 Hb(Abramov) 0.1612109E-02 Ex_ueg -0.8779381E-03 Ec_ueg -0.2077325E-03 Delta_ex -0.1339629E-02 Delta_ec 0.7290074E-03 Delta_et -0.4310014E-02 Pxc 0.4226292E+01 Qxc -0.1837606E+01 3,+1 62 3 -1 -3.219753 -0.037185 3.239547 Rho 0.2385464E+00 |GRAD(Rho)| 0.3781588E-12 GRAD(Rho)x 0.2693341E-12 GRAD(Rho)y 0.6489865E-13 GRAD(Rho)z -0.2573934E-12 Laplacian 0.8747955E+00 (-1/4)Del**2(Rho)) -0.2186989E+00 Diamond 0.3066365E+01 Metallicity 0.7227608E+01 Ellipticity 0.2660130E-02 Gb(Abramov) 0.4092442E+00 Vb(Abramov) -0.5997895E+00 Hb(Abramov) -0.1905453E+00 Ex_ueg -0.1092653E+00 Ec_ueg -0.1433868E-01 Delta_ex -0.1054987E+00 Delta_ec 0.1931189E-01 Delta_et -0.2672370E+00 Pxc 0.7620312E+01 Qxc -0.5462891E+01 3,-1 63 3 -1 -3.274851 0.092468 -3.169971 Rho 0.2307737E+00 |GRAD(Rho)| 0.5835369E-15 GRAD(Rho)x 0.4150326E-15 GRAD(Rho)y -0.1946143E-15 GRAD(Rho)z 0.3610935E-15 Laplacian 0.8536925E+00 (-1/4)Del**2(Rho)) -0.2134231E+00 Diamond 0.2878716E+01 Metallicity 0.7008453E+01 Ellipticity 0.2140808E-01 Gb(Abramov) 0.3915764E+00 Vb(Abramov) -0.5697297E+00 Hb(Abramov) -0.1781533E+00 Ex_ueg -0.1045442E+00 Ec_ueg -0.1380366E-01 Delta_ex -0.1020871E+00 Delta_ec 0.1906299E-01 Delta_et -0.2635899E+00 Pxc 0.7573663E+01 Qxc -0.5355251E+01 3,-1 64 3 +3 1.092623 1.066165 1.051029 Rho 0.4620576E-02 |GRAD(Rho)| 0.3892515E-12 GRAD(Rho)x 0.1579867E-12 GRAD(Rho)y 0.3035415E-12 GRAD(Rho)z -0.1855248E-12 Laplacian 0.1809636E-01 (-1/4)Del**2(Rho)) -0.4524090E-02 Diamond 0.1211584E-03 Metallicity 0.4881075E+00 Ellipticity -0.1797901E+00 Gb(Abramov) 0.3384100E-02 Vb(Abramov) -0.2244111E-02 Hb(Abramov) 0.1139990E-02 Ex_ueg -0.5683902E-03 Ec_ueg -0.1306214E-03 Delta_ex -0.6196720E-03 Delta_ec 0.9394429E-04 Delta_et -0.6921674E-03 Pxc 0.4351434E+01 Qxc -0.6596164E+01 3,+3 65 3 -1 -3.297894 -3.138098 0.103022 Rho 0.2388434E+00 |GRAD(Rho)| 0.6421022E-15 GRAD(Rho)x 0.6294878E-15 GRAD(Rho)y 0.1223522E-15 GRAD(Rho)z -0.3271580E-16 Laplacian 0.8908377E+00 (-1/4)Del**2(Rho)) -0.2227094E+00 Diamond 0.3117555E+01 Metallicity 0.7112188E+01 Ellipticity 0.4676792E-02 Gb(Abramov) 0.4124649E+00 Vb(Abramov) -0.6022203E+00 Hb(Abramov) -0.1897554E+00 Ex_ueg -0.1094467E+00 Ec_ueg -0.1435920E-01 Delta_ex -0.1074162E+00 Delta_ec 0.1956580E-01 Delta_et -0.2703530E+00 Pxc 0.7622063E+01 Qxc -0.5489999E+01 3,-1 66 3 -1 -3.028500 -2.008386 -0.858244 Rho 0.1378215E+00 |GRAD(Rho)| 0.5917555E-15 GRAD(Rho)x -0.7177418E-16 GRAD(Rho)y -0.4767101E-15 GRAD(Rho)z -0.3431771E-15 Laplacian 0.5446113E+00 (-1/4)Del**2(Rho)) -0.1361528E+00 Diamond 0.9973544E+00 Metallicity 0.4652874E+01 Ellipticity 0.5859045E-01 Gb(Abramov) 0.1963522E+00 Vb(Abramov) -0.2565516E+00 Hb(Abramov) -0.6019938E-01 Ex_ueg -0.5257842E-01 Ec_ueg -0.7668530E-02 Delta_ex -0.5729292E-01 Delta_ec 0.1411690E-01 Delta_et -0.1856289E+00 Pxc 0.6856388E+01 Qxc -0.4058464E+01 3,-1 67 3 +1 -2.235644 -1.205529 -1.343983 Rho 0.3152986E-01 |GRAD(Rho)| 0.4258825E-16 GRAD(Rho)x 0.6679968E-17 GRAD(Rho)y 0.3665589E-16 GRAD(Rho)z -0.2062722E-16 Laplacian 0.1336964E+00 (-1/4)Del**2(Rho)) -0.3342410E-01 Diamond 0.2616174E-01 Metallicity 0.1621923E+01 Ellipticity -0.8236587E+01 Gb(Abramov) 0.3131795E-01 Vb(Abramov) -0.2921180E-01 Hb(Abramov) 0.2106149E-02 Ex_ueg -0.7356667E-02 Ec_ueg -0.1422786E-02 Delta_ex -0.9017296E-02 Delta_ec 0.2565804E-02 Delta_et -0.2393044E-01 Pxc 0.5170607E+01 Qxc -0.3514414E+01 3,+1 68 3 -1 -3.008036 1.980692 0.871229 Rho 0.1389821E+00 |GRAD(Rho)| 0.2458185E-15 GRAD(Rho)x -0.1832437E-15 GRAD(Rho)y 0.7154379E-16 GRAD(Rho)z 0.1474108E-15 Laplacian 0.5405083E+00 (-1/4)Del**2(Rho)) -0.1351271E+00 Diamond 0.1005192E+01 Metallicity 0.4754180E+01 Ellipticity 0.3214812E-01 Gb(Abramov) 0.1971545E+00 Vb(Abramov) -0.2591819E+00 Hb(Abramov) -0.6202739E-01 Ex_ueg -0.5316963E-01 Ec_ueg -0.7741985E-02 Delta_ex -0.5703612E-01 Delta_ec 0.1408698E-01 Delta_et -0.1856889E+00 Pxc 0.6867699E+01 Qxc -0.4048854E+01 3,-1 69 3 -1 -1.998388 2.956584 0.848330 Rho 0.1222934E+00 |GRAD(Rho)| 0.1727862E-15 GRAD(Rho)x -0.1437923E-15 GRAD(Rho)y 0.1971215E-16 GRAD(Rho)z -0.9375638E-16 Laplacian 0.4859116E+00 (-1/4)Del**2(Rho)) -0.1214779E+00 Diamond 0.7679600E+00 Metallicity 0.4272947E+01 Ellipticity 0.2278873E-01 Gb(Abramov) 0.1674967E+00 Vb(Abramov) -0.2135155E+00 Hb(Abramov) -0.4601880E-01 Ex_ueg -0.4483209E-01 Ec_ueg -0.6694274E-02 Delta_ex -0.4962900E-01 Delta_ec 0.1289372E-01 Delta_et -0.1661694E+00 Pxc 0.6697080E+01 Qxc -0.3849084E+01 3,-1 70 3 +3 -1.130441 1.093044 -1.120143 Rho 0.5438401E-02 |GRAD(Rho)| 0.2211133E-14 GRAD(Rho)x -0.6819255E-15 GRAD(Rho)y 0.1556148E-14 GRAD(Rho)z -0.1415093E-14 Laplacian 0.2111539E-01 (-1/4)Del**2(Rho)) -0.5278848E-02 Diamond 0.1611713E-03 Metallicity 0.5488656E+00 Ellipticity -0.2675734E+00 Gb(Abramov) 0.4002129E-02 Vb(Abramov) -0.2725409E-02 Hb(Abramov) 0.1276720E-02 Ex_ueg -0.7063392E-03 Ec_ueg -0.1658275E-03 Delta_ex -0.7432292E-03 Delta_ec 0.8665052E-04 Delta_et -0.7140142E-03 Pxc 0.4259482E+01 Qxc -0.8577319E+01 3,+3 71 3 -1 -0.244853 -1.248012 -3.535456 Rho 0.4423300E-02 |GRAD(Rho)| 0.4364764E-17 GRAD(Rho)x -0.4334678E-17 GRAD(Rho)y -0.5058858E-18 GRAD(Rho)z 0.7622556E-19 Laplacian 0.1689267E-01 (-1/4)Del**2(Rho)) -0.4223168E-02 Diamond 0.5215060E-03 Metallicity 0.4862117E+00 Ellipticity 0.1594064E+00 Gb(Abramov) 0.3157671E-02 Vb(Abramov) -0.2092174E-02 Hb(Abramov) 0.1065497E-02 Ex_ueg -0.5362659E-03 Ec_ueg -0.1221801E-03 Delta_ex -0.1025325E-02 Delta_ec 0.8977347E-03 Delta_et -0.4549444E-02 Pxc 0.4389144E+01 Qxc -0.1142124E+01 3,-1 72 3 +1 -1.695143 -0.537677 0.539730 Rho 0.9421600E-02 |GRAD(Rho)| 0.7810735E-15 GRAD(Rho)x -0.4645772E-15 GRAD(Rho)y -0.6148900E-15 GRAD(Rho)z -0.1270987E-15 Laplacian 0.3601824E-01 (-1/4)Del**2(Rho)) -0.9004559E-02 Diamond 0.1089147E-02 Metallicity 0.8040786E+00 Ellipticity -0.1507861E+01 Gb(Abramov) 0.7209768E-02 Vb(Abramov) -0.5414978E-02 Hb(Abramov) 0.1794791E-02 Ex_ueg -0.1469664E-02 Ec_ueg -0.3418890E-03 Delta_ex -0.1683078E-02 Delta_ec 0.5050759E-03 Delta_et -0.3535252E-02 Pxc 0.4298657E+01 Qxc -0.3332326E+01 3,+1 73 3 -1 -3.216620 3.165673 -0.086662 Rho 0.2351676E+00 |GRAD(Rho)| 0.1993798E-15 GRAD(Rho)x -0.5421011E-17 GRAD(Rho)y 0.1966743E-15 GRAD(Rho)z -0.3228212E-16 Laplacian 0.8651017E+00 (-1/4)Del**2(Rho)) -0.2162754E+00 Diamond 0.2977576E+01 Metallicity 0.7136880E+01 Ellipticity 0.7072738E-02 Gb(Abramov) 0.4014389E+00 Vb(Abramov) -0.5866024E+00 Hb(Abramov) -0.1851635E+00 Ex_ueg -0.1072066E+00 Ec_ueg -0.1410570E-01 Delta_ex -0.1039247E+00 Delta_ec 0.1914726E-01 Delta_et -0.2646865E+00 Pxc 0.7600234E+01 Qxc -0.5427652E+01 3,-1 74 3 +1 -1.802869 -1.727213 1.798201 Rho 0.1212466E-01 |GRAD(Rho)| 0.1647778E-14 GRAD(Rho)x -0.1397304E-14 GRAD(Rho)y 0.6551130E-15 GRAD(Rho)z -0.5775300E-15 Laplacian 0.5973470E-01 (-1/4)Del**2(Rho)) -0.1493367E-01 Diamond 0.2373058E-02 Metallicity 0.7381919E+00 Ellipticity -0.1252859E+01 Gb(Abramov) 0.1179310E-01 Vb(Abramov) -0.8652530E-02 Hb(Abramov) 0.3140572E-02 Ex_ueg -0.2057207E-02 Ec_ueg -0.4653269E-03 Delta_ex -0.2928654E-02 Delta_ec 0.7475245E-03 Delta_et -0.5640637E-02 Pxc 0.4420992E+01 Qxc -0.3917803E+01 3,+1 75 3 -1 -1.992420 0.870106 3.026375 Rho 0.1460330E+00 |GRAD(Rho)| 0.2811975E-15 GRAD(Rho)x 0.4008838E-16 GRAD(Rho)y -0.6823697E-16 GRAD(Rho)z 0.2698308E-15 Laplacian 0.5693382E+00 (-1/4)Del**2(Rho)) -0.1423345E+00 Diamond 0.1118928E+01 Metallicity 0.4901487E+01 Ellipticity 0.4229546E-01 Gb(Abramov) 0.2111648E+00 Vb(Abramov) -0.2799951E+00 Hb(Abramov) -0.6883030E-01 Ex_ueg -0.5679626E-01 Ec_ueg -0.8190054E-02 Delta_ex -0.6075847E-01 Delta_ec 0.1457317E-01 Delta_et -0.1933339E+00 Pxc 0.6934784E+01 Qxc -0.4169201E+01 3,-1 76 3 -1 -2.169188 -0.871631 -3.288256 Rho 0.2313308E+00 |GRAD(Rho)| 0.1305959E-12 GRAD(Rho)x -0.4926962E-13 GRAD(Rho)y 0.8533972E-13 GRAD(Rho)z 0.8570250E-13 Laplacian 0.8926140E+00 (-1/4)Del**2(Rho)) -0.2231535E+00 Diamond 0.2980068E+01 Metallicity 0.6729846E+01 Ellipticity 0.1464711E-01 Gb(Abramov) 0.3990671E+00 Vb(Abramov) -0.5749807E+00 Hb(Abramov) -0.1759136E+00 Ex_ueg -0.1048809E+00 Ec_ueg -0.1384189E-01 Delta_ex -0.1065924E+00 Delta_ec 0.1953244E-01 Delta_et -0.2684836E+00 Pxc 0.7577061E+01 Qxc -0.5457197E+01 3,-1 77 3 -1 -3.004977 -0.939696 -2.062114 Rho 0.1365052E+00 |GRAD(Rho)| 0.9320234E-13 GRAD(Rho)x 0.3750844E-13 GRAD(Rho)y 0.5991189E-13 GRAD(Rho)z -0.6074832E-13 Laplacian 0.5170689E+00 (-1/4)Del**2(Rho)) -0.1292672E+00 Diamond 0.9512476E+00 Metallicity 0.4822959E+01 Ellipticity 0.3373661E-01 Gb(Abramov) 0.1900866E+00 Vb(Abramov) -0.2509059E+00 Hb(Abramov) -0.6081934E-01 Ex_ueg -0.5190997E-01 Ec_ueg -0.7585333E-02 Delta_ex -0.5444039E-01 Delta_ec 0.1374041E-01 Delta_et -0.1810255E+00 Pxc 0.6843466E+01 Qxc -0.3962064E+01 3,-1 78 3 -1 -2.791976 -0.529531 1.828540 Rho 0.1377370E+00 |GRAD(Rho)| 0.2630701E-15 GRAD(Rho)x 0.1315069E-15 GRAD(Rho)y 0.6036296E-16 GRAD(Rho)z 0.2197000E-15 Laplacian 0.5700700E+00 (-1/4)Del**2(Rho)) -0.1425175E+00 Diamond 0.1042172E+01 Metallicity 0.4440540E+01 Ellipticity 0.7489188E-02 Gb(Abramov) 0.2004874E+00 Vb(Abramov) -0.2584574E+00 Hb(Abramov) -0.5796994E-01 Ex_ueg -0.5253544E-01 Ec_ueg -0.7663185E-02 Delta_ex -0.5995067E-01 Delta_ec 0.1475837E-01 Delta_et -0.1940036E+00 Pxc 0.6855561E+01 Qxc -0.4062148E+01 3,-1 79 3 +3 -2.302618 -0.022230 0.007002 Rho 0.5266613E-02 |GRAD(Rho)| 0.9643433E-17 GRAD(Rho)x 0.6750037E-17 GRAD(Rho)y -0.6853861E-17 GRAD(Rho)z 0.6763146E-18 Laplacian 0.2162556E-01 (-1/4)Del**2(Rho)) -0.5406391E-02 Diamond 0.2131366E-03 Metallicity 0.5080012E+00 Ellipticity -0.4501653E+00 Gb(Abramov) 0.4062003E-02 Vb(Abramov) -0.2717615E-02 Hb(Abramov) 0.1344388E-02 Ex_ueg -0.6767480E-03 Ec_ueg -0.1584042E-03 Delta_ex -0.8021855E-03 Delta_ec 0.1741139E-03 Delta_et -0.1164124E-02 Pxc 0.4272284E+01 Qxc -0.4607245E+01 3,+3 80 3 -1 -1.801852 2.750142 -0.556480 Rho 0.1383716E+00 |GRAD(Rho)| 0.2110226E-12 GRAD(Rho)x -0.1669974E-12 GRAD(Rho)y -0.3692820E-13 GRAD(Rho)z 0.1236071E-12 Laplacian 0.5739140E+00 (-1/4)Del**2(Rho)) -0.1434785E+00 Diamond 0.1058371E+01 Metallicity 0.4444724E+01 Ellipticity 0.1094450E-01 Gb(Abramov) 0.2019394E+00 Vb(Abramov) -0.2604003E+00 Hb(Abramov) -0.5846090E-01 Ex_ueg -0.5285846E-01 Ec_ueg -0.7703339E-02 Delta_ex -0.6045969E-01 Delta_ec 0.1490786E-01 Delta_et -0.1962428E+00 Pxc 0.6861760E+01 Qxc -0.4055558E+01 3,-1 81 3 -1 -2.765893 0.485187 -1.830365 Rho 0.7850684E-01 |GRAD(Rho)| 0.2398399E-15 GRAD(Rho)x 0.6579921E-16 GRAD(Rho)y -0.8119827E-16 GRAD(Rho)z -0.2158714E-15 Laplacian 0.3311810E+00 (-1/4)Del**2(Rho)) -0.8279524E-01 Diamond 0.3074564E+00 Metallicity 0.2994978E+01 Ellipticity 0.4079735E-02 Gb(Abramov) 0.9652515E-01 Vb(Abramov) -0.1102551E+00 Hb(Abramov) -0.1372991E-01 Ex_ueg -0.2482724E-01 Ec_ueg -0.4042668E-02 Delta_ex -0.3053540E-01 Delta_ec 0.9724932E-02 Delta_et -0.1147505E+00 Pxc 0.6141301E+01 Qxc -0.3139909E+01 3,-1 82 3 +1 -2.177281 1.203970 1.261977 Rho 0.2752398E-01 |GRAD(Rho)| 0.9259054E-15 GRAD(Rho)x -0.8077404E-15 GRAD(Rho)y -0.1727194E-16 GRAD(Rho)z 0.4522808E-15 Laplacian 0.1096565E+00 (-1/4)Del**2(Rho)) -0.2741414E-01 Diamond 0.1729678E-01 Metallicity 0.1576755E+01 Ellipticity -0.6151250E+01 Gb(Abramov) 0.2548032E-01 Vb(Abramov) -0.2354650E-01 Hb(Abramov) 0.1933818E-02 Ex_ueg -0.6137622E-02 Ec_ueg -0.1216614E-02 Delta_ex -0.7086315E-02 Delta_ec 0.2018336E-02 Delta_et -0.1821166E-01 Pxc 0.5044841E+01 Qxc -0.3510969E+01 3,+1 83 3 -1 -1.726837 0.521655 1.748962 Rho 0.4558650E-01 |GRAD(Rho)| 0.2465140E-16 GRAD(Rho)x -0.2392318E-16 GRAD(Rho)y 0.5883067E-17 GRAD(Rho)z -0.8732910E-18 Laplacian 0.1820329E+00 (-1/4)Del**2(Rho)) -0.4550824E-01 Diamond 0.8040943E-01 Metallicity 0.2202201E+01 Ellipticity 0.1149248E-01 Gb(Abramov) 0.4704187E-01 Vb(Abramov) -0.4857551E-01 Hb(Abramov) -0.1533636E-02 Ex_ueg -0.1202726E-01 Ec_ueg -0.2172405E-02 Delta_ex -0.1459264E-01 Delta_ec 0.5342782E-02 Delta_et -0.5496820E-01 Pxc 0.5536382E+01 Qxc -0.2731281E+01 3,-1 84 3 +1 0.535844 0.444209 1.651332 Rho 0.8156395E-02 |GRAD(Rho)| 0.2138047E-14 GRAD(Rho)x -0.7570832E-15 GRAD(Rho)y -0.1284256E-14 GRAD(Rho)z -0.1532566E-14 Laplacian 0.3203216E-01 (-1/4)Del**2(Rho)) -0.8008039E-02 Diamond 0.7969538E-03 Metallicity 0.7109800E+00 Ellipticity -0.1416642E+01 Gb(Abramov) 0.6287619E-02 Vb(Abramov) -0.4567198E-02 Hb(Abramov) 0.1720420E-02 Ex_ueg -0.1212596E-02 Ec_ueg -0.2851759E-03 Delta_ex -0.1443624E-02 Delta_ec 0.4502288E-03 Delta_et -0.3036027E-02 Pxc 0.4252097E+01 Qxc -0.3206423E+01 3,+1 85 3 +1 -2.012847 2.011839 2.030314 Rho 0.1264495E-01 |GRAD(Rho)| 0.6977467E-17 GRAD(Rho)x -0.1351877E-17 GRAD(Rho)y -0.6064479E-17 GRAD(Rho)z -0.3174833E-17 Laplacian 0.5988192E-01 (-1/4)Del**2(Rho)) -0.1497048E-01 Diamond 0.1995125E-02 Metallicity 0.7897922E+00 Ellipticity -0.1101634E+01 Gb(Abramov) 0.1195091E-01 Vb(Abramov) -0.8931350E-02 Hb(Abramov) 0.3019565E-02 Ex_ueg -0.2175745E-02 Ec_ueg -0.4894236E-03 Delta_ex -0.2827349E-02 Delta_ec 0.4967363E-03 Delta_et -0.3981953E-02 Pxc 0.4445526E+01 Qxc -0.5691852E+01 3,+1 86 3 +3 -1.922119 1.917447 1.937081 Rho 0.1259093E-01 |GRAD(Rho)| 0.1489216E-14 GRAD(Rho)x 0.8183541E-15 GRAD(Rho)y -0.9171441E-15 GRAD(Rho)z -0.8407787E-15 Laplacian 0.5884966E-01 (-1/4)Del**2(Rho)) -0.1471242E-01 Diamond 0.1523784E-02 Metallicity 0.7979317E+00 Ellipticity -0.8510360E+00 Gb(Abramov) 0.1176486E-01 Vb(Abramov) -0.8817307E-02 Hb(Abramov) 0.2947555E-02 Ex_ueg -0.2163361E-02 Ec_ueg -0.4869168E-03 Delta_ex -0.2659998E-02 Delta_ec 0.2823335E-03 Delta_et -0.2502312E-02 Pxc 0.4442978E+01 Qxc -0.9421475E+01 3,+3 87 3 -1 -2.050480 -3.121905 -0.737484 Rho 0.1435699E+00 |GRAD(Rho)| 0.6693451E-16 GRAD(Rho)x -0.4652583E-16 GRAD(Rho)y 0.2909728E-16 GRAD(Rho)z 0.3832655E-16 Laplacian 0.5326983E+00 (-1/4)Del**2(Rho)) -0.1331746E+00 Diamond 0.1048718E+01 Metallicity 0.5092187E+01 Ellipticity 0.1138767E+00 Gb(Abramov) 0.2018080E+00 Vb(Abramov) -0.2704415E+00 Hb(Abramov) -0.6863346E-01 Ex_ueg -0.5552259E-01 Ec_ueg -0.8033177E-02 Delta_ex -0.5685496E-01 Delta_ec 0.1412555E-01 Delta_et -0.1878670E+00 Pxc 0.6911661E+01 Qxc -0.4024973E+01 3,-1 88 3 -1 -1.872425 -2.775001 0.600876 Rho 0.1515423E+00 |GRAD(Rho)| 0.1161645E-13 GRAD(Rho)x -0.8676870E-14 GRAD(Rho)y 0.1887128E-14 GRAD(Rho)z -0.7489506E-14 Laplacian 0.6243709E+00 (-1/4)Del**2(Rho)) -0.1560927E+00 Diamond 0.1275629E+01 Metallicity 0.4754014E+01 Ellipticity 0.2039095E-01 Gb(Abramov) 0.2277397E+00 Vb(Abramov) -0.2993866E+00 Hb(Abramov) -0.7164693E-01 Ex_ueg -0.5967105E-01 Ec_ueg -0.8542319E-02 Delta_ex -0.6716840E-01 Delta_ec 0.1570847E-01 Delta_et -0.2091889E+00 Pxc 0.6985346E+01 Qxc -0.4275936E+01 3,-1 89 3 -1 -1.794669 -1.748359 -0.537480 Rho 0.5401080E-01 |GRAD(Rho)| 0.1853134E-15 GRAD(Rho)x -0.3383304E-16 GRAD(Rho)y 0.9965766E-16 GRAD(Rho)z -0.1525278E-15 Laplacian 0.2154205E+00 (-1/4)Del**2(Rho)) -0.5385512E-01 Diamond 0.1209897E+00 Metallicity 0.2468655E+01 Ellipticity 0.2194976E-01 Gb(Abramov) 0.5806170E-01 Vb(Abramov) -0.6226829E-01 Hb(Abramov) -0.4206583E-02 Ex_ueg -0.1507854E-01 Ec_ueg -0.2637747E-02 Delta_ex -0.1806936E-01 Delta_ec 0.6394777E-02 Delta_et -0.6878821E-01 Pxc 0.5716446E+01 Qxc -0.2825644E+01 3,-1 90 3 +1 2.190231 1.020768 -1.419660 Rho 0.2478003E-01 |GRAD(Rho)| 0.2793013E-16 GRAD(Rho)x 0.2390494E-16 GRAD(Rho)y 0.2263605E-17 GRAD(Rho)z -0.1426612E-16 Laplacian 0.9445605E-01 (-1/4)Del**2(Rho)) -0.2361401E-01 Diamond 0.1126307E-01 Metallicity 0.1536573E+01 Ellipticity -0.2768563E+01 Gb(Abramov) 0.2179012E-01 Vb(Abramov) -0.1996622E-01 Hb(Abramov) 0.1823897E-02 Ex_ueg -0.5335652E-02 Ec_ueg -0.1077645E-02 Delta_ex -0.5757360E-02 Delta_ec 0.1418151E-02 Delta_et -0.1253522E-01 Pxc 0.4951213E+01 Qxc -0.4059766E+01 3,+1 91 3 -1 -1.767398 -0.624290 -1.808803 Rho 0.5156789E-01 |GRAD(Rho)| 0.4424724E-16 GRAD(Rho)x -0.2134269E-16 GRAD(Rho)y 0.1599537E-16 GRAD(Rho)z 0.3530518E-16 Laplacian 0.2073670E+00 (-1/4)Del**2(Rho)) -0.5184174E-01 Diamond 0.1112994E+00 Metallicity 0.2374137E+01 Ellipticity 0.2063869E-01 Gb(Abramov) 0.5507439E-01 Vb(Abramov) -0.5830705E-01 Hb(Abramov) -0.3232656E-02 Ex_ueg -0.1417612E-01 Ec_ueg -0.2501723E-02 Delta_ex -0.1727145E-01 Delta_ec 0.6300831E-02 Delta_et -0.6701596E-01 Pxc 0.5666545E+01 Qxc -0.2741139E+01 3,-1 92 3 +1 -1.287992 2.147926 1.163990 Rho 0.2804501E-01 |GRAD(Rho)| 0.5445854E-16 GRAD(Rho)x -0.1174221E-16 GRAD(Rho)y 0.5219895E-16 GRAD(Rho)z 0.1015491E-16 Laplacian 0.1127882E+00 (-1/4)Del**2(Rho)) -0.2819705E-01 Diamond 0.1824494E-01 Metallicity 0.1581644E+01 Ellipticity -0.6043067E+01 Gb(Abramov) 0.2623099E-01 Vb(Abramov) -0.2426492E-01 Hb(Abramov) 0.1966069E-02 Ex_ueg -0.6293020E-02 Ec_ueg -0.1243214E-02 Delta_ex -0.7324087E-02 Delta_ec 0.2074205E-02 Delta_et -0.1880303E-01 Pxc 0.5061894E+01 Qxc -0.3531033E+01 3,+1 93 3 -1 -1.839214 -0.551306 2.840592 Rho 0.1633033E+00 |GRAD(Rho)| 0.2047614E-14 GRAD(Rho)x 0.1703932E-14 GRAD(Rho)y -0.1042054E-14 GRAD(Rho)z -0.4510688E-15 Laplacian 0.6808279E+00 (-1/4)Del**2(Rho)) -0.1702070E+00 Diamond 0.1514415E+01 Metallicity 0.4938186E+01 Ellipticity 0.1250678E-01 Gb(Abramov) 0.2535569E+00 Vb(Abramov) -0.3369069E+00 Hb(Abramov) -0.8334995E-01 Ex_ueg -0.6592422E-01 Ec_ueg -0.9300485E-02 Delta_ex -0.7454626E-01 Delta_ec 0.1669405E-01 Delta_et -0.2241707E+00 Pxc 0.7088256E+01 Qxc -0.4465439E+01 3,-1 94 3 +1 -0.272269 -0.513344 -3.207650 Rho 0.3172610E-02 |GRAD(Rho)| 0.2745867E-14 GRAD(Rho)x -0.2508963E-14 GRAD(Rho)y 0.1104721E-14 GRAD(Rho)z -0.1564574E-15 Laplacian 0.1251749E-01 (-1/4)Del**2(Rho)) -0.3129372E-02 Diamond 0.1319265E-03 Metallicity 0.3771005E+00 Ellipticity -0.1479177E+01 Gb(Abramov) 0.2282930E-02 Vb(Abramov) -0.1436487E-02 Hb(Abramov) 0.8464428E-03 Ex_ueg -0.3443029E-03 Ec_ueg -0.6914081E-04 Delta_ex -0.5265475E-03 Delta_ec 0.3133572E-03 Delta_et -0.1517066E-02 Pxc 0.4979734E+01 Qxc -0.1680343E+01 3,+1 95 3 +1 -1.183105 1.260992 2.180528 Rho 0.2739738E-01 |GRAD(Rho)| 0.2793155E-16 GRAD(Rho)x 0.9840789E-17 GRAD(Rho)y -0.1979158E-16 GRAD(Rho)z -0.1707699E-16 Laplacian 0.1095421E+00 (-1/4)Del**2(Rho)) -0.2738554E-01 Diamond 0.1712771E-01 Metallicity 0.1566319E+01 Ellipticity -0.5763046E+01 Gb(Abramov) 0.2540611E-01 Vb(Abramov) -0.2342668E-01 Hb(Abramov) 0.1979431E-02 Ex_ueg -0.6100008E-02 Ec_ueg -0.1210160E-02 Delta_ex -0.7066248E-02 Delta_ec 0.2009054E-02 Delta_et -0.1810829E-01 Pxc 0.5040663E+01 Qxc -0.3517201E+01 3,+1 96 3 +1 -0.548526 -0.603097 1.684280 Rho 0.7960507E-02 |GRAD(Rho)| 0.1000226E-13 GRAD(Rho)x -0.9722120E-14 GRAD(Rho)y -0.7589436E-15 GRAD(Rho)z 0.2224746E-14 Laplacian 0.3038042E-01 (-1/4)Del**2(Rho)) -0.7595105E-02 Diamond 0.7236330E-03 Metallicity 0.7198697E+00 Ellipticity -0.1424575E+01 Gb(Abramov) 0.5974651E-02 Vb(Abramov) -0.4354197E-02 Hb(Abramov) 0.1620454E-02 Ex_ueg -0.1173922E-02 Ec_ueg -0.2764589E-03 Delta_ex -0.1357028E-02 Delta_ec 0.4202211E-03 Delta_et -0.2821598E-02 Pxc 0.4246282E+01 Qxc -0.3229319E+01 3,+1 97 3 +1 -0.591763 0.470741 -1.664003 Rho 0.9387696E-02 |GRAD(Rho)| 0.2267326E-16 GRAD(Rho)x -0.8238765E-17 GRAD(Rho)y 0.5761128E-17 GRAD(Rho)z -0.2032262E-16 Laplacian 0.3655073E-01 (-1/4)Del**2(Rho)) -0.9137682E-02 Diamond 0.1128019E-02 Metallicity 0.7876177E+00 Ellipticity -0.1515206E+01 Gb(Abramov) 0.7291288E-02 Vb(Abramov) -0.5444894E-02 Hb(Abramov) 0.1846394E-02 Ex_ueg -0.1462616E-02 Ec_ueg -0.3403601E-03 Delta_ex -0.1717692E-02 Delta_ec 0.5327234E-03 Delta_et -0.3709357E-02 Pxc 0.4297261E+01 Qxc -0.3224359E+01 3,+1 98 3 -1 -1.801050 0.483194 -2.822534 Rho 0.1282465E+00 |GRAD(Rho)| 0.4310117E-14 GRAD(Rho)x 0.3283737E-14 GRAD(Rho)y 0.2509860E-14 GRAD(Rho)z 0.1222614E-14 Laplacian 0.5329690E+00 (-1/4)Del**2(Rho)) -0.1332423E+00 Diamond 0.9023165E+00 Metallicity 0.4216840E+01 Ellipticity 0.1371722E-01 Gb(Abramov) 0.1824717E+00 Vb(Abramov) -0.2317012E+00 Hb(Abramov) -0.4922945E-01 Ex_ueg -0.4776529E-01 Ec_ueg -0.7065887E-02 Delta_ex -0.5518847E-01 Delta_ec 0.1421334E-01 Delta_et -0.1850567E+00 Pxc 0.6759985E+01 Qxc -0.3882863E+01 3,-1 99 3 +3 0.041436 2.227892 -0.019873 Rho 0.4735225E-02 |GRAD(Rho)| 0.2729058E-13 GRAD(Rho)x 0.1798556E-13 GRAD(Rho)y 0.1971659E-13 GRAD(Rho)z -0.5705405E-14 Laplacian 0.1935004E-01 (-1/4)Del**2(Rho)) -0.4837511E-02 Diamond 0.1557898E-03 Metallicity 0.4755165E+00 Ellipticity -0.3115947E+00 Gb(Abramov) 0.3608393E-02 Vb(Abramov) -0.2379276E-02 Hb(Abramov) 0.1229118E-02 Ex_ueg -0.5872719E-03 Ec_ueg -0.1355363E-03 Delta_ex -0.6888408E-03 Delta_ec 0.1393625E-03 Delta_et -0.9356554E-03 Pxc 0.4332949E+01 Qxc -0.4942797E+01 3,+3 100 3 +1 -0.537191 1.619339 -0.547639 Rho 0.8760498E-02 |GRAD(Rho)| 0.5347507E-17 GRAD(Rho)x -0.1964117E-17 GRAD(Rho)y 0.4815713E-17 GRAD(Rho)z -0.1243775E-17 Laplacian 0.3391580E-01 (-1/4)Del**2(Rho)) -0.8478951E-02 Diamond 0.9060016E-03 Metallicity 0.7564131E+00 Ellipticity -0.1430111E+01 Gb(Abramov) 0.6721565E-02 Vb(Abramov) -0.4964180E-02 Hb(Abramov) 0.1757385E-02 Ex_ueg -0.1333798E-02 Ec_ueg -0.3121670E-03 Delta_ex -0.1545782E-02 Delta_ec 0.4577892E-03 Delta_et -0.3159592E-02 Pxc 0.4272708E+01 Qxc -0.3376623E+01 3,+1 101 3 +3 0.016859 -0.085607 2.305252 Rho 0.4443130E-02 |GRAD(Rho)| 0.5929006E-17 GRAD(Rho)x -0.9782815E-18 GRAD(Rho)y 0.3879310E-17 GRAD(Rho)z -0.4375732E-17 Laplacian 0.1791800E-01 (-1/4)Del**2(Rho)) -0.4479500E-02 Diamond 0.1411454E-03 Metallicity 0.4618193E+00 Ellipticity -0.3252674E+00 Gb(Abramov) 0.3331120E-02 Vb(Abramov) -0.2182740E-02 Hb(Abramov) 0.1148380E-02 Ex_ueg -0.5394739E-03 Ec_ueg -0.1230277E-03 Delta_ex -0.6368673E-03 Delta_ec 0.1462387E-03 Delta_et -0.9373974E-03 Pxc 0.4384979E+01 Qxc -0.4354985E+01 3,+3 102 3 +1 -0.060450 -2.301139 -1.045276 Rho 0.6157915E-02 |GRAD(Rho)| 0.5409720E-15 GRAD(Rho)x -0.2739407E-15 GRAD(Rho)y -0.4618735E-15 GRAD(Rho)z -0.6542251E-16 Laplacian 0.2377017E-01 (-1/4)Del**2(Rho)) -0.5942542E-02 Diamond 0.7167840E-03 Metallicity 0.5997502E+00 Ellipticity -0.3778771E+01 Gb(Abramov) 0.4555702E-02 Vb(Abramov) -0.3168861E-02 Hb(Abramov) 0.1386841E-02 Ex_ueg -0.8336108E-03 Ec_ueg -0.1970780E-03 Delta_ex -0.1219247E-02 Delta_ec 0.7273944E-03 Delta_et -0.4213094E-02 Pxc 0.4229853E+01 Qxc -0.1676184E+01 3,+1 103 3 +3 -0.077566 -2.444891 -0.142550 Rho 0.3828309E-02 |GRAD(Rho)| 0.2658713E-17 GRAD(Rho)x -0.1183945E-17 GRAD(Rho)y -0.2202943E-17 GRAD(Rho)z -0.9022576E-18 Laplacian 0.1521652E-01 (-1/4)Del**2(Rho)) -0.3804129E-02 Diamond 0.1016848E-03 Metallicity 0.4242705E+00 Ellipticity -0.3117718E+00 Gb(Abramov) 0.2805083E-02 Vb(Abramov) -0.1806036E-02 Hb(Abramov) 0.9990465E-03 Ex_ueg -0.4423109E-03 Ec_ueg -0.9684395E-04 Delta_ex -0.5254805E-03 Delta_ec 0.1330758E-03 Delta_et -0.8097224E-03 Pxc 0.4567254E+01 Qxc -0.3948730E+01 3,+3 104 3 +1 -0.613756 -1.686305 0.544216 Rho 0.9046421E-02 |GRAD(Rho)| 0.9495253E-16 GRAD(Rho)x 0.3380088E-16 GRAD(Rho)y 0.6126130E-16 GRAD(Rho)z -0.6419141E-16 Laplacian 0.3375245E-01 (-1/4)Del**2(Rho)) -0.8438113E-02 Diamond 0.9643190E-03 Metallicity 0.8018673E+00 Ellipticity -0.1518700E+01 Gb(Abramov) 0.6753116E-02 Vb(Abramov) -0.5068120E-02 Hb(Abramov) 0.1684996E-02 Ex_ueg -0.1392155E-02 Ec_ueg -0.3249982E-03 Delta_ex -0.1560413E-02 Delta_ec 0.4723490E-03 Delta_et -0.3272778E-02 Pxc 0.4283576E+01 Qxc -0.3303517E+01 3,+1 105 3 -1 1.381783 -2.147690 -2.154699 Rho 0.6677310E-02 |GRAD(Rho)| 0.4910395E-11 GRAD(Rho)x -0.3201261E-11 GRAD(Rho)y -0.3250131E-11 GRAD(Rho)z -0.1816744E-11 Laplacian 0.2713747E-01 (-1/4)Del**2(Rho)) -0.6784368E-02 Diamond 0.1195321E-02 Metallicity 0.6012379E+00 Ellipticity 0.8504944E+00 Gb(Abramov) 0.5202748E-02 Vb(Abramov) -0.3621129E-02 Hb(Abramov) 0.1581619E-02 Ex_ueg -0.9286537E-03 Ec_ueg -0.2197934E-03 Delta_ex -0.1593427E-02 Delta_ec 0.1149120E-02 Delta_et -0.6691361E-02 Pxc 0.4225121E+01 Qxc -0.1386650E+01 3,-1 106 3 +1 0.343476 -1.933923 -0.724792 Rho 0.5892225E-02 |GRAD(Rho)| 0.3084181E-15 GRAD(Rho)x 0.2750904E-15 GRAD(Rho)y -0.1069101E-15 GRAD(Rho)z 0.8953898E-16 Laplacian 0.2260162E-01 (-1/4)Del**2(Rho)) -0.5650404E-02 Diamond 0.5462904E-03 Metallicity 0.5860562E+00 Ellipticity -0.2102470E+01 Gb(Abramov) 0.4318845E-02 Vb(Abramov) -0.2987286E-02 Hb(Abramov) 0.1331559E-02 Ex_ueg -0.7860030E-03 Ec_ueg -0.1855087E-03 Delta_ex -0.1077522E-02 Delta_ec 0.5638186E-03 Delta_et -0.3275009E-02 Pxc 0.4237015E+01 Qxc -0.1911115E+01 3,+1 107 3 +1 -0.207438 2.941584 0.212298 Rho 0.6054449E-02 |GRAD(Rho)| 0.1204228E-16 GRAD(Rho)x -0.7276893E-17 GRAD(Rho)y -0.2437121E-17 GRAD(Rho)z -0.9280285E-17 Laplacian 0.2530025E-01 (-1/4)Del**2(Rho)) -0.6325063E-02 Diamond 0.6877933E-03 Metallicity 0.5477882E+00 Ellipticity -0.2261324E+01 Gb(Abramov) 0.4794175E-02 Vb(Abramov) -0.3263286E-02 Hb(Abramov) 0.1530889E-02 Ex_ueg -0.8149880E-03 Ec_ueg -0.1925685E-03 Delta_ex -0.1251652E-02 Delta_ec 0.6998154E-03 Delta_et -0.4063080E-02 Pxc 0.4232198E+01 Qxc -0.1788546E+01 3,+1 108 3 -1 -0.844504 2.984243 1.983450 Rho 0.1468812E+00 |GRAD(Rho)| 0.4438066E-15 GRAD(Rho)x -0.2224241E-15 GRAD(Rho)y 0.3833468E-15 GRAD(Rho)z -0.2317482E-16 Laplacian 0.5754372E+00 (-1/4)Del**2(Rho)) -0.1438593E+00 Diamond 0.1135943E+01 Metallicity 0.4896574E+01 Ellipticity 0.4039631E-01 Gb(Abramov) 0.2133092E+00 Vb(Abramov) -0.2827590E+00 Hb(Abramov) -0.6944985E-01 Ex_ueg -0.5723654E-01 Ec_ueg -0.8244166E-02 Delta_ex -0.6146715E-01 Delta_ec 0.1465585E-01 Delta_et -0.1944757E+00 Pxc 0.6942672E+01 Qxc -0.4194035E+01 3,-1 109 3 -1 -0.595669 -1.814544 2.844831 Rho 0.1088341E+00 |GRAD(Rho)| 0.2862642E-13 GRAD(Rho)x -0.2753894E-13 GRAD(Rho)y -0.2679443E-14 GRAD(Rho)z -0.7341604E-14 Laplacian 0.4733364E+00 (-1/4)Del**2(Rho)) -0.1183341E+00 Diamond 0.6780699E+00 Metallicity 0.3611756E+01 Ellipticity 0.2243773E-01 Gb(Abramov) 0.1501217E+00 Vb(Abramov) -0.1819093E+00 Hb(Abramov) -0.3178761E-01 Ex_ueg -0.3837707E-01 Ec_ueg -0.5863230E-02 Delta_ex -0.4745061E-01 Delta_ec 0.1366431E-01 Delta_et -0.1735404E+00 Pxc 0.6545380E+01 Qxc -0.3472594E+01 3,-1 110 3 +1 -0.306052 -1.008590 -2.738902 Rho 0.3026451E-02 |GRAD(Rho)| 0.2191235E-17 GRAD(Rho)x -0.1875056E-17 GRAD(Rho)y -0.5645394E-18 GRAD(Rho)z -0.9833470E-18 Laplacian 0.1195625E-01 (-1/4)Del**2(Rho)) -0.2989064E-02 Diamond 0.1028417E-03 Metallicity 0.3649563E+00 Ellipticity -0.1274106E+01 Gb(Abramov) 0.2174522E-02 Vb(Abramov) -0.1359980E-02 Hb(Abramov) 0.8145417E-03 Ex_ueg -0.3233181E-03 Ec_ueg -0.6299738E-04 Delta_ex -0.4703508E-03 Delta_ec 0.2493133E-03 Delta_et -0.1216355E-02 Pxc 0.5132246E+01 Qxc -0.1886585E+01 3,+1 111 3 +3 -0.268382 -0.651360 -2.756145 Rho 0.2947831E-02 |GRAD(Rho)| 0.5439034E-18 GRAD(Rho)x 0.1706460E-18 GRAD(Rho)y -0.2448780E-19 GRAD(Rho)z 0.5158597E-18 Laplacian 0.1170910E-01 (-1/4)Del**2(Rho)) -0.2927276E-02 Diamond 0.8355976E-04 Metallicity 0.3566650E+00 Ellipticity -0.5231856E+00 Gb(Abramov) 0.2125527E-02 Vb(Abramov) -0.1323778E-02 Hb(Abramov) 0.8017493E-03 Ex_ueg -0.3121681E-03 Ec_ueg -0.5969761E-04 Delta_ex -0.4324993E-03 Delta_ec 0.1983579E-03 Delta_et -0.9890953E-03 Pxc 0.5229156E+01 Qxc -0.2180399E+01 3,+3 112 3 -1 -0.553524 -0.544425 -0.524625 Rho 0.1890706E+00 |GRAD(Rho)| 0.1326582E-15 GRAD(Rho)x 0.6245005E-16 GRAD(Rho)y 0.1144917E-15 GRAD(Rho)z 0.2428613E-16 Laplacian 0.5088193E+00 (-1/4)Del**2(Rho)) -0.1272048E+00 Diamond 0.1372852E+01 Metallicity 0.8435086E+01 Ellipticity 0.2748011E-01 Gb(Abramov) 0.2636338E+00 Vb(Abramov) -0.4000628E+00 Hb(Abramov) -0.1364290E+00 Ex_ueg -0.8014634E-01 Ec_ueg -0.1098997E-01 Delta_ex -0.5797414E-01 Delta_ec 0.1230931E-01 Delta_et -0.1688601E+00 Pxc 0.7292682E+01 Qxc -0.4709780E+01 3,-1 113 3 -1 -0.499402 0.410356 0.438175 Rho 0.1769890E+00 |GRAD(Rho)| 0.3446647E-15 GRAD(Rho)x 0.2671474E-15 GRAD(Rho)y 0.8326673E-16 GRAD(Rho)z -0.2012279E-15 Laplacian 0.4600041E+00 (-1/4)Del**2(Rho)) -0.1150010E+00 Diamond 0.1161191E+01 Metallicity 0.8357861E+01 Ellipticity 0.3616684E-02 Gb(Abramov) 0.2368611E+00 Vb(Abramov) -0.3587212E+00 Hb(Abramov) -0.1218601E+00 Ex_ueg -0.7339165E-01 Ec_ueg -0.1019304E-01 Delta_ex -0.5166578E-01 Delta_ec 0.1153289E-01 Delta_et -0.1577137E+00 Pxc 0.7200173E+01 Qxc -0.4479865E+01 3,-1 114 3 +1 0.128430 -0.176233 2.973314 Rho 0.5330031E-02 |GRAD(Rho)| 0.9329641E-18 GRAD(Rho)x -0.6812638E-18 GRAD(Rho)y -0.6343034E-18 GRAD(Rho)z 0.6293423E-19 Laplacian 0.2140327E-01 (-1/4)Del**2(Rho)) -0.5350817E-02 Diamond 0.5009062E-03 Metallicity 0.5236197E+00 Ellipticity -0.2379509E+01 Gb(Abramov) 0.4034177E-02 Vb(Abramov) -0.2717537E-02 Hb(Abramov) 0.1316640E-02 Ex_ueg -0.6876351E-03 Ec_ueg -0.1611429E-03 Delta_ex -0.1040740E-02 Delta_ec 0.6084881E-03 Delta_et -0.3394880E-02 Pxc 0.4267238E+01 Qxc -0.1710370E+01 3,+1 115 3 +1 0.617804 -1.596628 -1.688565 Rho 0.2953555E-02 |GRAD(Rho)| 0.2962985E-16 GRAD(Rho)x 0.1700143E-16 GRAD(Rho)y 0.1542782E-16 GRAD(Rho)z 0.1873130E-16 Laplacian 0.1133167E-01 (-1/4)Del**2(Rho)) -0.2832917E-02 Diamond 0.7047153E-04 Metallicity 0.3697383E+00 Ellipticity -0.1077654E+01 Gb(Abramov) 0.2063185E-02 Vb(Abramov) -0.1293452E-02 Hb(Abramov) 0.7697328E-03 Ex_ueg -0.3129766E-03 Ec_ueg -0.5993775E-04 Delta_ex -0.3988640E-03 Delta_ec 0.1564881E-03 Delta_et -0.8081151E-03 Pxc 0.5221694E+01 Qxc -0.2548846E+01 3,+1 116 3 -1 -0.609627 -2.796325 1.855974 Rho 0.1180153E+00 |GRAD(Rho)| 0.1530038E-15 GRAD(Rho)x 0.1228537E-15 GRAD(Rho)y 0.2360173E-16 GRAD(Rho)z 0.8809143E-16 Laplacian 0.5125316E+00 (-1/4)Del**2(Rho)) -0.1281329E+00 Diamond 0.8039286E+00 Metallicity 0.3817596E+01 Ellipticity 0.6590685E-02 Gb(Abramov) 0.1669485E+00 Vb(Abramov) -0.2057642E+00 Hb(Abramov) -0.3881564E-01 Ex_ueg -0.4275331E-01 Ec_ueg -0.6428728E-02 Delta_ex -0.5228661E-01 Delta_ec 0.1439580E-01 Delta_et -0.1854851E+00 Pxc 0.6650352E+01 Qxc -0.3632075E+01 3,-1 117 3 -1 -0.562166 1.766751 -2.754444 Rho 0.1459248E+00 |GRAD(Rho)| 0.5072744E-14 GRAD(Rho)x -0.3093161E-14 GRAD(Rho)y -0.3788934E-14 GRAD(Rho)z 0.1345014E-14 Laplacian 0.6201738E+00 (-1/4)Del**2(Rho)) -0.1550435E+00 Diamond 0.1206210E+01 Metallicity 0.4494157E+01 Ellipticity 0.1816488E-01 Gb(Abramov) 0.2194939E+00 Vb(Abramov) -0.2839444E+00 Hb(Abramov) -0.6445046E-01 Ex_ueg -0.5674016E-01 Ec_ueg -0.8183155E-02 Delta_ex -0.6605226E-01 Delta_ec 0.1566436E-01 Delta_et -0.2073172E+00 Pxc 0.6933775E+01 Qxc -0.4216723E+01 3,-1 118 3 +1 0.535689 1.651633 0.467845 Rho 0.7754849E-02 |GRAD(Rho)| 0.4673628E-13 GRAD(Rho)x 0.2593724E-13 GRAD(Rho)y -0.2824798E-13 GRAD(Rho)z 0.2671312E-13 Laplacian 0.3031835E-01 (-1/4)Del**2(Rho)) -0.7579588E-02 Diamond 0.7055762E-03 Metallicity 0.6905522E+00 Ellipticity -0.1404017E+01 Gb(Abramov) 0.5925409E-02 Vb(Abramov) -0.4271230E-02 Hb(Abramov) 0.1654179E-02 Ex_ueg -0.1133660E-02 Ec_ueg -0.2673259E-03 Delta_ex -0.1349860E-02 Delta_ec 0.4273988E-03 Delta_et -0.2843676E-02 Pxc 0.4240742E+01 Qxc -0.3158316E+01 3,+1 119 3 -1 -0.518738 1.712224 1.713872 Rho 0.4609983E-01 |GRAD(Rho)| 0.3699002E-13 GRAD(Rho)x -0.2783156E-13 GRAD(Rho)y 0.3935820E-14 GRAD(Rho)z -0.2404528E-13 Laplacian 0.1857290E+00 (-1/4)Del**2(Rho)) -0.4643225E-01 Diamond 0.8373064E-01 Metallicity 0.2199036E+01 Ellipticity 0.2159847E-01 Gb(Abramov) 0.4797253E-01 Vb(Abramov) -0.4951281E-01 Hb(Abramov) -0.1540281E-02 Ex_ueg -0.1220818E-01 Ec_ueg -0.2200449E-02 Delta_ex -0.1495148E-01 Delta_ec 0.5487671E-02 Delta_et -0.5663384E-01 Pxc 0.5548040E+01 Qxc -0.2724559E+01 3,-1 120 3 -1 -0.847206 1.998417 2.990182 Rho 0.1278910E+00 |GRAD(Rho)| 0.9321387E-13 GRAD(Rho)x -0.8835927E-13 GRAD(Rho)y 0.2932649E-13 GRAD(Rho)z 0.4628534E-14 Laplacian 0.5052214E+00 (-1/4)Del**2(Rho)) -0.1263054E+00 Diamond 0.8452549E+00 Metallicity 0.4427904E+01 Ellipticity 0.3320744E-01 Gb(Abramov) 0.1774149E+00 Vb(Abramov) -0.2285244E+00 Hb(Abramov) -0.5110954E-01 Ex_ueg -0.4758884E-01 Ec_ueg -0.7043630E-02 Delta_ex -0.5219123E-01 Delta_ec 0.1332302E-01 Delta_et -0.1730985E+00 Pxc 0.6756295E+01 Qxc -0.3917371E+01 3,-1 121 3 -1 -0.548998 2.749576 -1.777928 Rho 0.1379257E+00 |GRAD(Rho)| 0.1237917E-11 GRAD(Rho)x 0.7942570E-12 GRAD(Rho)y -0.2078207E-12 GRAD(Rho)z -0.9265013E-12 Laplacian 0.5745661E+00 (-1/4)Del**2(Rho)) -0.1436415E+00 Diamond 0.1047957E+01 Metallicity 0.4415857E+01 Ellipticity 0.7000477E-02 Gb(Abramov) 0.2014778E+00 Vb(Abramov) -0.2593140E+00 Hb(Abramov) -0.5783623E-01 Ex_ueg -0.5263143E-01 Ec_ueg -0.7675122E-02 Delta_ex -0.6039722E-01 Delta_ec 0.1478700E-01 Delta_et -0.1942517E+00 Pxc 0.6857407E+01 Qxc -0.4084482E+01 3,-1 122 3 -1 -0.009003 2.947870 0.018390 Rho 0.6138370E-02 |GRAD(Rho)| 0.3358255E-17 GRAD(Rho)x -0.1858988E-17 GRAD(Rho)y -0.1847679E-17 GRAD(Rho)z -0.2099553E-17 Laplacian 0.2457415E-01 (-1/4)Del**2(Rho)) -0.6143538E-02 Diamond 0.8772944E-03 Metallicity 0.5770627E+00 Ellipticity 0.1874913E+01 Gb(Abramov) 0.4686560E-02 Vb(Abramov) -0.3229582E-02 Hb(Abramov) 0.1456978E-02 Ex_ueg -0.8300848E-03 Ec_ueg -0.1962257E-03 Delta_ex -0.1358171E-02 Delta_ec 0.9278438E-03 Delta_et -0.5297918E-02 Pxc 0.4230255E+01 Qxc -0.1463793E+01 3,-1 123 3 +1 2.922385 -0.111409 0.156031 Rho 0.5061646E-02 |GRAD(Rho)| 0.2494150E-17 GRAD(Rho)x -0.6155461E-18 GRAD(Rho)y 0.2059927E-17 GRAD(Rho)z -0.1264352E-17 Laplacian 0.2052672E-01 (-1/4)Del**2(Rho)) -0.5131679E-02 Diamond 0.4915571E-03 Metallicity 0.5009333E+00 Ellipticity -0.3515045E+01 Gb(Abramov) 0.3849558E-02 Vb(Abramov) -0.2567436E-02 Hb(Abramov) 0.1282122E-02 Ex_ueg -0.6418606E-03 Ec_ueg -0.1495666E-03 Delta_ex -0.1027482E-02 Delta_ec 0.6543982E-03 Delta_et -0.3563791E-02 Pxc 0.4291469E+01 Qxc -0.1570117E+01 3,+1 124 3 +1 0.193246 2.959750 -0.180339 Rho 0.6047509E-02 |GRAD(Rho)| 0.3396232E-16 GRAD(Rho)x 0.2191334E-16 GRAD(Rho)y 0.3039952E-17 GRAD(Rho)z -0.2576826E-16 Laplacian 0.2515849E-01 (-1/4)Del**2(Rho)) -0.6289622E-02 Diamond 0.6817511E-03 Metallicity 0.5498229E+00 Ellipticity -0.2243896E+01 Gb(Abramov) 0.4769444E-02 Vb(Abramov) -0.3249267E-02 Hb(Abramov) 0.1520178E-02 Ex_ueg -0.8137426E-03 Ec_ueg -0.1922662E-03 Delta_ex -0.1243527E-02 Delta_ec 0.6944376E-03 Delta_et -0.4031147E-02 Pxc 0.4232375E+01 Qxc -0.1790697E+01 3,+1 125 3 -1 0.062990 -2.186370 -1.003927 Rho 0.6180296E-02 |GRAD(Rho)| 0.3604612E-14 GRAD(Rho)x -0.2591962E-14 GRAD(Rho)y -0.2456548E-14 GRAD(Rho)z -0.4902416E-15 Laplacian 0.2369015E-01 (-1/4)Del**2(Rho)) -0.5922538E-02 Diamond 0.8434881E-03 Metallicity 0.6054256E+00 Ellipticity 0.2950803E+01 Gb(Abramov) 0.4545968E-02 Vb(Abramov) -0.3169398E-02 Hb(Abramov) 0.1376570E-02 Ex_ueg -0.8376530E-03 Ec_ueg -0.1980541E-03 Delta_ex -0.1303961E-02 Delta_ec 0.8819404E-03 Delta_et -0.5050358E-02 Pxc 0.4229415E+01 Qxc -0.1478513E+01 3,-1 126 3 +1 1.656774 0.494291 0.527081 Rho 0.7468031E-02 |GRAD(Rho)| 0.8341059E-17 GRAD(Rho)x -0.6155547E-18 GRAD(Rho)y 0.7718513E-17 GRAD(Rho)z -0.3101436E-17 Laplacian 0.2906167E-01 (-1/4)Del**2(Rho)) -0.7265418E-02 Diamond 0.6605986E-03 Metallicity 0.6765545E+00 Ellipticity -0.1423272E+01 Gb(Abramov) 0.5662854E-02 Vb(Abramov) -0.4060289E-02 Hb(Abramov) 0.1602564E-02 Ex_ueg -0.1078102E-02 Ec_ueg -0.2546209E-03 Delta_ex -0.1291594E-02 Delta_ec 0.4272316E-03 Delta_et -0.2800130E-02 Pxc 0.4234145E+01 Qxc -0.3023171E+01 3,+1 127 3 -1 0.088959 3.202705 3.183406 Rho 0.2376134E+00 |GRAD(Rho)| 0.8105505E-15 GRAD(Rho)x -0.8521829E-16 GRAD(Rho)y -0.6015154E-15 GRAD(Rho)z -0.5365717E-15 Laplacian 0.8717078E+00 (-1/4)Del**2(Rho)) -0.2179269E+00 Diamond 0.3041540E+01 Metallicity 0.7205994E+01 Ellipticity 0.2628909E-02 Gb(Abramov) 0.4070147E+00 Vb(Abramov) -0.5961024E+00 Hb(Abramov) -0.1890877E+00 Ex_ueg -0.1086959E+00 Ec_ueg -0.1427429E-01 Delta_ex -0.1050209E+00 Delta_ec 0.1926965E-01 Delta_et -0.2666315E+00 Pxc 0.7614799E+01 Qxc -0.5450069E+01 3,-1 128 3 -1 -0.064961 3.159209 -3.180481 Rho 0.2390148E+00 |GRAD(Rho)| 0.5751683E-15 GRAD(Rho)x 0.9511164E-16 GRAD(Rho)y 0.3317659E-16 GRAD(Rho)z 0.5662788E-15 Laplacian 0.8849174E+00 (-1/4)Del**2(Rho)) -0.2212293E+00 Diamond 0.3102449E+01 Metallicity 0.7168339E+01 Ellipticity 0.1502915E-02 Gb(Abramov) 0.4117941E+00 Vb(Abramov) -0.6023588E+00 Hb(Abramov) -0.1905647E+00 Ex_ueg -0.1095515E+00 Ec_ueg -0.1437104E-01 Delta_ex -0.1067381E+00 Delta_ec 0.1945969E-01 Delta_et -0.2690172E+00 Pxc 0.7623073E+01 Qxc -0.5485086E+01 3,-1 129 3 -1 0.894348 -3.033768 2.050887 Rho 0.1231814E+00 |GRAD(Rho)| 0.2872764E-15 GRAD(Rho)x 0.2367898E-15 GRAD(Rho)y -0.3129279E-16 GRAD(Rho)z -0.1596217E-15 Laplacian 0.5077715E+00 (-1/4)Del**2(Rho)) -0.1269429E+00 Diamond 0.8322015E+00 Metallicity 0.4138598E+01 Ellipticity 0.3340325E-01 Gb(Abramov) 0.1721895E+00 Vb(Abramov) -0.2174361E+00 Hb(Abramov) -0.4524663E-01 Ex_ueg -0.4526666E-01 Ec_ueg -0.6749552E-02 Delta_ex -0.5224541E-01 Delta_ec 0.1397541E-01 Delta_et -0.1812352E+00 Pxc 0.6706616E+01 Qxc -0.3738381E+01 3,-1 130 3 -1 -0.058324 -3.246009 3.275978 Rho 0.2158387E+00 |GRAD(Rho)| 0.5943762E-15 GRAD(Rho)x 0.1057639E-15 GRAD(Rho)y 0.5474137E-15 GRAD(Rho)z -0.2059984E-15 Laplacian 0.8102188E+00 (-1/4)Del**2(Rho)) -0.2025547E+00 Diamond 0.2514846E+01 Metallicity 0.6605306E+01 Ellipticity 0.2166727E-02 Gb(Abramov) 0.3580258E+00 Vb(Abramov) -0.5134968E+00 Hb(Abramov) -0.1554711E+00 Ex_ueg -0.9562191E-01 Ec_ueg -0.1278492E-01 Delta_ex -0.9518695E-01 Delta_ec 0.1837726E-01 Delta_et -0.2529626E+00 Pxc 0.7479271E+01 Qxc -0.5179606E+01 3,-1 131 3 -1 0.513531 -1.777521 1.725999 Rho 0.4354053E-01 |GRAD(Rho)| 0.3089261E-14 GRAD(Rho)x -0.9413566E-15 GRAD(Rho)y -0.1870282E-14 GRAD(Rho)z 0.2271437E-14 Laplacian 0.1860931E+00 (-1/4)Del**2(Rho)) -0.4652328E-01 Diamond 0.8365604E-01 Metallicity 0.1995442E+01 Ellipticity 0.1630360E-01 Gb(Abramov) 0.4648794E-01 Vb(Abramov) -0.4645259E-01 Hb(Abramov) 0.3534272E-04 Ex_ueg -0.1131297E-01 Ec_ueg -0.2061059E-02 Delta_ex -0.1508074E-01 Delta_ec 0.6058693E-02 Delta_et -0.6168643E-01 Pxc 0.5488912E+01 Qxc -0.2489108E+01 3,-1 132 3 -1 0.859326 -1.973065 3.060623 Rho 0.1149207E+00 |GRAD(Rho)| 0.4758329E-15 GRAD(Rho)x 0.2870561E-15 GRAD(Rho)y 0.3300854E-15 GRAD(Rho)z 0.1872417E-15 Laplacian 0.4737029E+00 (-1/4)Del**2(Rho)) -0.1184257E+00 Diamond 0.7180859E+00 Metallicity 0.3951579E+01 Ellipticity 0.1079213E-01 Gb(Abramov) 0.1569452E+00 Vb(Abramov) -0.1954648E+00 Hb(Abramov) -0.3851952E-01 Ex_ueg -0.4126507E-01 Ec_ueg -0.6237437E-02 Delta_ex -0.4800232E-01 Delta_ec 0.1334607E-01 Delta_et -0.1710517E+00 Pxc 0.6615708E+01 Qxc -0.3596738E+01 3,-1 133 3 +1 1.992126 -1.999200 2.030796 Rho 0.1178735E-01 |GRAD(Rho)| 0.2027911E-15 GRAD(Rho)x -0.1059030E-15 GRAD(Rho)y 0.1333989E-15 GRAD(Rho)z -0.1100614E-15 Laplacian 0.5224825E-01 (-1/4)Del**2(Rho)) -0.1306206E-01 Diamond 0.1488296E-02 Metallicity 0.8051958E+00 Ellipticity -0.1067364E+01 Gb(Abramov) 0.1046096E-01 Vb(Abramov) -0.7859860E-02 Hb(Abramov) 0.2601101E-02 Ex_ueg -0.1981252E-02 Ec_ueg -0.4497611E-03 Delta_ex -0.2392024E-02 Delta_ec 0.3851390E-03 Delta_et -0.3102606E-02 Pxc 0.4405122E+01 Qxc -0.6210807E+01 3,+1 134 3 -1 0.559422 1.799373 2.755157 Rho 0.1527200E+00 |GRAD(Rho)| 0.6082008E-09 GRAD(Rho)x 0.3850603E-09 GRAD(Rho)y -0.4499822E-09 GRAD(Rho)z 0.1383938E-09 Laplacian 0.6389403E+00 (-1/4)Del**2(Rho)) -0.1597351E+00 Diamond 0.1315365E+01 Metallicity 0.4705937E+01 Ellipticity 0.1656061E-01 Gb(Abramov) 0.2317739E+00 Vb(Abramov) -0.3038128E+00 Hb(Abramov) -0.7203885E-01 Ex_ueg -0.6029014E-01 Ec_ueg -0.8617861E-02 Delta_ex -0.6884544E-01 Delta_ec 0.1600530E-01 Delta_et -0.2132730E+00 Pxc 0.6995952E+01 Qxc -0.4301414E+01 3,-1 135 3 -1 0.878504 1.984544 -2.973855 Rho 0.1508403E+00 |GRAD(Rho)| 0.2985491E-14 GRAD(Rho)x 0.1527126E-14 GRAD(Rho)y -0.2556955E-14 GRAD(Rho)z 0.2074214E-15 Laplacian 0.5968373E+00 (-1/4)Del**2(Rho)) -0.1492093E+00 Diamond 0.1211238E+01 Metallicity 0.4934991E+01 Ellipticity 0.6717859E-01 Gb(Abramov) 0.2221973E+00 Vb(Abramov) -0.2951853E+00 Hb(Abramov) -0.7298801E-01 Ex_ueg -0.5930278E-01 Ec_ueg -0.8497330E-02 Delta_ex -0.6411957E-01 Delta_ec 0.1500921E-01 Delta_et -0.1996945E+00 Pxc 0.6978990E+01 Qxc -0.4272015E+01 3,-1 136 3 -1 0.524687 1.663577 -1.740040 Rho 0.5159678E-01 |GRAD(Rho)| 0.6764572E-16 GRAD(Rho)x -0.1064911E-16 GRAD(Rho)y -0.4465515E-16 GRAD(Rho)z -0.4968356E-16 Laplacian 0.2088226E+00 (-1/4)Del**2(Rho)) -0.5220564E-01 Diamond 0.1098415E+00 Metallicity 0.2359790E+01 Ellipticity 0.1450028E-01 Gb(Abramov) 0.5533616E-01 Vb(Abramov) -0.5846667E-01 Hb(Abramov) -0.3130514E-02 Ex_ueg -0.1418672E-01 Ec_ueg -0.2503326E-02 Delta_ex -0.1729907E-01 Delta_ec 0.6173502E-02 Delta_et -0.6561884E-01 Pxc 0.5667146E+01 Qxc -0.2802148E+01 3,-1 137 3 +3 2.307321 0.000885 0.045115 Rho 0.4344190E-02 |GRAD(Rho)| 0.1397234E-13 GRAD(Rho)x 0.6280491E-14 GRAD(Rho)y -0.1200203E-13 GRAD(Rho)z -0.3425358E-14 Laplacian 0.1795698E-01 (-1/4)Del**2(Rho)) -0.4489244E-02 Diamond 0.1514355E-03 Metallicity 0.4438416E+00 Ellipticity -0.2696550E+00 Gb(Abramov) 0.3324915E-02 Vb(Abramov) -0.2160586E-02 Hb(Abramov) 0.1164329E-02 Ex_ueg -0.5235162E-03 Ec_ueg -0.1188007E-03 Delta_ex -0.6504969E-03 Delta_ec 0.1750409E-03 Delta_et -0.1071167E-02 Pxc 0.4406676E+01 Qxc -0.3716256E+01 3,+3 138 3 -1 0.563538 2.787139 1.783269 Rho 0.1571089E+00 |GRAD(Rho)| 0.7174910E-09 GRAD(Rho)x 0.4596482E-09 GRAD(Rho)y 0.1671855E-09 GRAD(Rho)z -0.5249436E-09 Laplacian 0.6513780E+00 (-1/4)Del**2(Rho)) -0.1628445E+00 Diamond 0.1392160E+01 Metallicity 0.4839284E+01 Ellipticity 0.1658528E-01 Gb(Abramov) 0.2399048E+00 Vb(Abramov) -0.3169651E+00 Hb(Abramov) -0.7706031E-01 Ex_ueg -0.6261128E-01 Ec_ueg -0.8900125E-02 Delta_ex -0.7072374E-01 Delta_ec 0.1628070E-01 Delta_et -0.2179500E+00 Pxc 0.7034877E+01 Qxc -0.4344023E+01 3,-1 139 3 -1 0.842011 2.970692 -1.958192 Rho 0.1378441E+00 |GRAD(Rho)| 0.7158702E-15 GRAD(Rho)x -0.4426933E-15 GRAD(Rho)y -0.5430498E-16 GRAD(Rho)z -0.5599498E-15 Laplacian 0.5389395E+00 (-1/4)Del**2(Rho)) -0.1347349E+00 Diamond 0.9873918E+00 Metallicity 0.4703126E+01 Ellipticity 0.3943263E-01 Gb(Abramov) 0.1954358E+00 Vb(Abramov) -0.2561367E+00 Hb(Abramov) -0.6070090E-01 Ex_ueg -0.5258992E-01 Ec_ueg -0.7669961E-02 Delta_ex -0.5670107E-01 Delta_ec 0.1397389E-01 Delta_et -0.1837624E+00 Pxc 0.6856609E+01 Qxc -0.4057643E+01 3,-1 140 3 -1 0.422321 -0.550542 0.416453 Rho 0.1814876E+00 |GRAD(Rho)| 0.2730146E-13 GRAD(Rho)x -0.1635150E-13 GRAD(Rho)y 0.1524475E-13 GRAD(Rho)z -0.1567149E-13 Laplacian 0.4805890E+00 (-1/4)Del**2(Rho)) -0.1201472E+00 Diamond 0.1250252E+01 Metallicity 0.8341634E+01 Ellipticity 0.8248718E-02 Gb(Abramov) 0.2471355E+00 Vb(Abramov) -0.3741238E+00 Hb(Abramov) -0.1269883E+00 Ex_ueg -0.7588940E-01 Ec_ueg -0.1048881E-01 Delta_ex -0.5431750E-01 Delta_ec 0.1197050E-01 Delta_et -0.1641702E+00 Pxc 0.7235275E+01 Qxc -0.4537615E+01 3,-1 141 3 +1 1.619065 -0.580372 -0.549853 Rho 0.9269293E-02 |GRAD(Rho)| 0.2814939E-16 GRAD(Rho)x 0.2088932E-16 GRAD(Rho)y -0.7409497E-17 GRAD(Rho)z -0.1735291E-16 Laplacian 0.3712865E-01 (-1/4)Del**2(Rho)) -0.9282163E-02 Diamond 0.1089808E-02 Metallicity 0.7591279E+00 Ellipticity -0.1435545E+01 Gb(Abramov) 0.7362500E-02 Vb(Abramov) -0.5442838E-02 Hb(Abramov) 0.1919663E-02 Ex_ueg -0.1438072E-02 Ec_ueg -0.3350247E-03 Delta_ex -0.1724412E-02 Delta_ec 0.5146604E-03 Delta_et -0.3592135E-02 Pxc 0.4292435E+01 Qxc -0.3350581E+01 3,+1 142 3 +3 0.725246 -1.505392 -1.586624 Rho 0.2946308E-02 |GRAD(Rho)| 0.2832446E-16 GRAD(Rho)x 0.1543308E-16 GRAD(Rho)y 0.1873504E-16 GRAD(Rho)z 0.1459772E-16 Laplacian 0.1140981E-01 (-1/4)Del**2(Rho)) -0.2852452E-02 Diamond 0.6178225E-04 Metallicity 0.3657058E+00 Ellipticity -0.9112672E+00 Gb(Abramov) 0.2075494E-02 Vb(Abramov) -0.1298537E-02 Hb(Abramov) 0.7769576E-03 Ex_ueg -0.3119531E-03 Ec_ueg -0.5963372E-04 Delta_ex -0.3845848E-03 Delta_ec 0.1275626E-03 Delta_et -0.6867005E-03 Pxc 0.5231152E+01 Qxc -0.3014871E+01 3,+3 143 3 -1 0.427947 0.389573 -0.523396 Rho 0.1792427E+00 |GRAD(Rho)| 0.7842869E-15 GRAD(Rho)x 0.4371503E-15 GRAD(Rho)y 0.4857226E-15 GRAD(Rho)z -0.4336809E-15 Laplacian 0.4696862E+00 (-1/4)Del**2(Rho)) -0.1174215E+00 Diamond 0.1207345E+01 Metallicity 0.8360027E+01 Ellipticity 0.2695067E-02 Gb(Abramov) 0.2418889E+00 Vb(Abramov) -0.3663563E+00 Hb(Abramov) -0.1244674E+00 Ex_ueg -0.7464033E-01 Ec_ueg -0.1034106E-01 Delta_ex -0.5294827E-01 Delta_ec 0.1178710E-01 Delta_et -0.1615709E+00 Pxc 0.7217858E+01 Qxc -0.4492054E+01 3,-1 144 3 +1 2.027945 1.994903 -1.988228 Rho 0.1215758E-01 |GRAD(Rho)| 0.2092425E-16 GRAD(Rho)x -0.1672939E-16 GRAD(Rho)y 0.1207968E-16 GRAD(Rho)z -0.3468881E-17 Laplacian 0.5694799E-01 (-1/4)Del**2(Rho)) -0.1423700E-01 Diamond 0.1834840E-02 Metallicity 0.7778217E+00 Ellipticity -0.1104397E+01 Gb(Abramov) 0.1133697E-01 Vb(Abramov) -0.8436947E-02 Hb(Abramov) 0.2900025E-02 Ex_ueg -0.2064657E-02 Ec_ueg -0.4668484E-03 Delta_ex -0.2670232E-02 Delta_ec 0.4916070E-03 Delta_et -0.3886932E-02 Pxc 0.4422543E+01 Qxc -0.5431640E+01 3,+1 145 3 +1 1.056157 -2.225274 1.412250 Rho 0.2725241E-01 |GRAD(Rho)| 0.2896878E-16 GRAD(Rho)x -0.1605984E-17 GRAD(Rho)y 0.6707383E-17 GRAD(Rho)z -0.2813577E-16 Laplacian 0.1054585E+00 (-1/4)Del**2(Rho)) -0.2636462E-01 Diamond 0.1442427E-01 Metallicity 0.1612649E+01 Ellipticity -0.3051917E+01 Gb(Abramov) 0.2466256E-01 Vb(Abramov) -0.2296050E-01 Hb(Abramov) 0.1702060E-02 Ex_ueg -0.6057010E-02 Ec_ueg -0.1202775E-02 Delta_ex -0.6604959E-02 Delta_ec 0.1597981E-02 Delta_et -0.1443650E-01 Pxc 0.5035864E+01 Qxc -0.4133316E+01 3,+1 146 3 +1 1.730449 1.772856 1.754118 Rho 0.1257486E-01 |GRAD(Rho)| 0.1515568E-15 GRAD(Rho)x -0.7666191E-16 GRAD(Rho)y -0.5362230E-16 GRAD(Rho)z 0.1192354E-15 Laplacian 0.6291002E-01 (-1/4)Del**2(Rho)) -0.1572751E-01 Diamond 0.2644286E-02 Metallicity 0.7448442E+00 Ellipticity -0.1258702E+01 Gb(Abramov) 0.1243743E-01 Vb(Abramov) -0.9147349E-02 Hb(Abramov) 0.3290078E-02 Ex_ueg -0.2159680E-02 Ec_ueg -0.4861713E-03 Delta_ex -0.3118926E-02 Delta_ec 0.7954075E-03 Delta_et -0.6048573E-02 Pxc 0.4442220E+01 Qxc -0.3921168E+01 3,+1 147 3 -1 2.915618 0.041211 0.003456 Rho 0.5080419E-02 |GRAD(Rho)| 0.5086192E-13 GRAD(Rho)x 0.6457572E-14 GRAD(Rho)y -0.4983156E-13 GRAD(Rho)z -0.7877178E-14 Laplacian 0.2029656E-01 (-1/4)Del**2(Rho)) -0.5074140E-02 Diamond 0.5490918E-03 Metallicity 0.5097492E+00 Ellipticity 0.5909671E+01 Gb(Abramov) 0.3813850E-02 Vb(Abramov) -0.2553560E-02 Hb(Abramov) 0.1260290E-02 Ex_ueg -0.6450367E-03 Ec_ueg -0.1503752E-03 Delta_ex -0.1071791E-02 Delta_ec 0.7454475E-03 Delta_et -0.4024938E-02 Pxc 0.4289515E+01 Qxc -0.1437782E+01 3,-1 148 3 +1 1.395663 1.012318 -2.195502 Rho 0.2905941E-01 |GRAD(Rho)| 0.1777579E-15 GRAD(Rho)x 0.2458426E-16 GRAD(Rho)y -0.1374769E-15 GRAD(Rho)z -0.1099710E-15 Laplacian 0.1141576E+00 (-1/4)Del**2(Rho)) -0.2853941E-01 Diamond 0.1751161E-01 Metallicity 0.1658007E+01 Ellipticity -0.3453147E+01 Gb(Abramov) 0.2691269E-01 Vb(Abramov) -0.2528598E-01 Hb(Abramov) 0.1626715E-02 Ex_ueg -0.6598332E-02 Ec_ueg -0.1295193E-02 Delta_ex -0.7316368E-02 Delta_ec 0.1801128E-02 Delta_et -0.1650304E-01 Pxc 0.5094477E+01 Qxc -0.4062103E+01 3,+1 149 3 +1 1.339318 2.122657 -1.102017 Rho 0.2635785E-01 |GRAD(Rho)| 0.2383190E-16 GRAD(Rho)x 0.3907266E-17 GRAD(Rho)y -0.1980593E-16 GRAD(Rho)z 0.1266561E-16 Laplacian 0.1019861E+00 (-1/4)Del**2(Rho)) -0.2549653E-01 Diamond 0.1405365E-01 Metallicity 0.1577327E+01 Ellipticity -0.3690349E+01 Gb(Abramov) 0.2370042E-01 Vb(Abramov) -0.2190431E-01 Hb(Abramov) 0.1796114E-02 Ex_ueg -0.5793375E-02 Ec_ueg -0.1157320E-02 Delta_ex -0.6403762E-02 Delta_ec 0.1677744E-02 Delta_et -0.1501200E-01 Pxc 0.5005855E+01 Qxc -0.3816888E+01 3,+1 150 3 +1 1.567368 -2.020323 -2.018203 Rho 0.6556864E-02 |GRAD(Rho)| 0.8515035E-17 GRAD(Rho)x 0.8744253E-18 GRAD(Rho)y 0.4429027E-17 GRAD(Rho)z -0.7219759E-17 Laplacian 0.2886791E-01 (-1/4)Del**2(Rho)) -0.7216977E-02 Diamond 0.9062661E-03 Metallicity 0.5483083E+00 Ellipticity -0.2221654E+01 Gb(Abramov) 0.5470840E-02 Vb(Abramov) -0.3724702E-02 Hb(Abramov) 0.1746138E-02 Ex_ueg -0.9063863E-03 Ec_ueg -0.2145142E-03 Delta_ex -0.1473060E-02 Delta_ec 0.8359938E-03 Delta_et -0.4952440E-02 Pxc 0.4225297E+01 Qxc -0.1762046E+01 3,+1 151 3 -1 1.662015 -1.824362 0.467758 Rho 0.4744533E-01 |GRAD(Rho)| 0.5025134E-15 GRAD(Rho)x 0.3313356E-15 GRAD(Rho)y -0.3208963E-15 GRAD(Rho)z -0.1994043E-15 Laplacian 0.1889959E+00 (-1/4)Del**2(Rho)) -0.4724896E-01 Diamond 0.8927592E-01 Metallicity 0.2267166E+01 Ellipticity 0.2527480E-01 Gb(Abramov) 0.4935285E-01 Vb(Abramov) -0.5145674E-01 Hb(Abramov) -0.2103887E-02 Ex_ueg -0.1268556E-01 Ec_ueg -0.2274155E-02 Delta_ex -0.1535588E-01 Delta_ec 0.5638608E-02 Delta_et -0.5864728E-01 Pxc 0.5578142E+01 Qxc -0.2723346E+01 3,-1 152 3 +1 1.111949 -1.344408 2.187033 Rho 0.2450896E-01 |GRAD(Rho)| 0.1660889E-13 GRAD(Rho)x -0.1267488E-13 GRAD(Rho)y -0.1007885E-13 GRAD(Rho)z -0.3690475E-14 Laplacian 0.9261225E-01 (-1/4)Del**2(Rho)) -0.2315306E-01 Diamond 0.1177007E-01 Metallicity 0.1538696E+01 Ellipticity -0.4050952E+01 Gb(Abramov) 0.2137296E-01 Vb(Abramov) -0.1959286E-01 Hb(Abramov) 0.1780099E-02 Ex_ueg -0.5257972E-02 Ec_ueg -0.1064023E-02 Delta_ex -0.5727743E-02 Delta_ec 0.1568313E-02 Delta_et -0.1377747E-01 Pxc 0.4941596E+01 Qxc -0.3652169E+01 3,+1 153 3 -1 2.981635 0.808769 -1.998428 Rho 0.7870946E-01 |GRAD(Rho)| 0.2300835E-15 GRAD(Rho)x -0.4829612E-16 GRAD(Rho)y -0.1576362E-15 GRAD(Rho)z -0.1604890E-15 Laplacian 0.3149991E+00 (-1/4)Del**2(Rho)) -0.7874977E-01 Diamond 0.2894204E+00 Metallicity 0.3162390E+01 Ellipticity 0.3312232E-02 Gb(Abramov) 0.9400609E-01 Vb(Abramov) -0.1092624E+00 Hb(Abramov) -0.1525632E-01 Ex_ueg -0.2491271E-01 Ec_ueg -0.4054561E-02 Delta_ex -0.2896782E-01 Delta_ec 0.9079789E-02 Delta_et -0.1070697E+00 Pxc 0.6144367E+01 Qxc -0.3190362E+01 3,-1 154 3 -1 1.726207 -0.595027 1.710118 Rho 0.3913267E-01 |GRAD(Rho)| 0.4967333E-16 GRAD(Rho)x -0.4282853E-16 GRAD(Rho)y -0.1830163E-16 GRAD(Rho)z -0.1726867E-16 Laplacian 0.1548759E+00 (-1/4)Del**2(Rho)) -0.3871897E-01 Diamond 0.5479257E-01 Metallicity 0.2006913E+01 Ellipticity 0.4253527E-01 Gb(Abramov) 0.3876358E-01 Vb(Abramov) -0.3880819E-01 Hb(Abramov) -0.4460971E-04 Ex_ueg -0.9812305E-02 Ec_ueg -0.1823621E-02 Delta_ex -0.1190406E-01 Delta_ec 0.4465607E-02 Delta_et -0.4410281E-01 Pxc 0.5380672E+01 Qxc -0.2665720E+01 3,-1 155 3 +1 2.167733 -1.432306 1.047302 Rho 0.2581919E-01 |GRAD(Rho)| 0.1251991E-13 GRAD(Rho)x -0.1894740E-14 GRAD(Rho)y 0.9512450E-14 GRAD(Rho)z 0.7916531E-14 Laplacian 0.9986755E-01 (-1/4)Del**2(Rho)) -0.2496689E-01 Diamond 0.1292752E-01 Metallicity 0.1556299E+01 Ellipticity -0.3046663E+01 Gb(Abramov) 0.2312058E-01 Vb(Abramov) -0.2127428E-01 Hb(Abramov) 0.1846306E-02 Ex_ueg -0.5636054E-02 Ec_ueg -0.1130047E-02 Delta_ex -0.6189370E-02 Delta_ec 0.1559651E-02 Delta_et -0.1390424E-01 Pxc 0.4987452E+01 Qxc -0.3968432E+01 3,+1 156 3 -1 1.701154 0.424094 -1.785461 Rho 0.4474588E-01 |GRAD(Rho)| 0.4567450E-14 GRAD(Rho)x 0.2918186E-14 GRAD(Rho)y -0.1686630E-14 GRAD(Rho)z -0.3082380E-14 Laplacian 0.1762963E+00 (-1/4)Del**2(Rho)) -0.4407408E-01 Diamond 0.7688276E-01 Metallicity 0.2204406E+01 Ellipticity 0.2656741E-01 Gb(Abramov) 0.4557558E-01 Vb(Abramov) -0.4707708E-01 Hb(Abramov) -0.1501503E-02 Ex_ueg -0.1173246E-01 Ec_ueg -0.2126572E-02 Delta_ex -0.1411462E-01 Delta_ec 0.5260200E-02 Delta_et -0.5387009E-01 Pxc 0.5517075E+01 Qxc -0.2683287E+01 3,-1 157 3 +3 1.945371 -1.958154 1.983322 Rho 0.1178152E-01 |GRAD(Rho)| 0.1300783E-15 GRAD(Rho)x -0.3049065E-16 GRAD(Rho)y 0.4746453E-16 GRAD(Rho)z 0.1172083E-15 Laplacian 0.5200579E-01 (-1/4)Del**2(Rho)) -0.1300145E-01 Diamond 0.1306247E-02 Metallicity 0.8082837E+00 Ellipticity -0.9185309E+00 Gb(Abramov) 0.1041911E-01 Vb(Abramov) -0.7836769E-02 Hb(Abramov) 0.2582340E-02 Ex_ueg -0.1979947E-02 Ec_ueg -0.4494927E-03 Delta_ex -0.2329026E-02 Delta_ec 0.2912834E-03 Delta_et -0.2472096E-02 Pxc 0.4404848E+01 Qxc -0.7995738E+01 3,+3 158 3 -1 1.984848 -3.071516 0.857006 Rho 0.1444999E+00 |GRAD(Rho)| 0.1669282E-13 GRAD(Rho)x -0.1231227E-13 GRAD(Rho)y 0.5662049E-14 GRAD(Rho)z 0.9746761E-14 Laplacian 0.5491750E+00 (-1/4)Del**2(Rho)) -0.1372938E+00 Diamond 0.1073619E+01 Metallicity 0.4992850E+01 Ellipticity 0.1598869E-01 Gb(Abramov) 0.2057770E+00 Vb(Abramov) -0.2742603E+00 Hb(Abramov) -0.6848328E-01 Ex_ueg -0.5600266E-01 Ec_ueg -0.8092366E-02 Delta_ex -0.5853844E-01 Delta_ec 0.1424152E-01 Delta_et -0.1889674E+00 Pxc 0.6920431E+01 Qxc -0.4110408E+01 3,-1 159 3 -1 1.786395 -2.999142 -0.581113 Rho 0.2224338E+00 |GRAD(Rho)| 0.4498669E-14 GRAD(Rho)x 0.1433369E-14 GRAD(Rho)y -0.1837045E-14 GRAD(Rho)z 0.3848213E-14 Laplacian 0.8605188E+00 (-1/4)Del**2(Rho)) -0.2151297E+00 Diamond 0.2748475E+01 Metallicity 0.6539142E+01 Ellipticity 0.1893161E-01 Gb(Abramov) 0.3778804E+00 Vb(Abramov) -0.5406312E+00 Hb(Abramov) -0.1627507E+00 Ex_ueg -0.9953736E-01 Ec_ueg -0.1323327E-01 Delta_ex -0.1017629E+00 Delta_ec 0.1913086E-01 Delta_et -0.2628915E+00 Pxc 0.7521750E+01 Qxc -0.5319304E+01 3,-1 160 3 -1 1.995088 0.808739 -3.008768 Rho 0.1199315E+00 |GRAD(Rho)| 0.1955259E-13 GRAD(Rho)x 0.1128350E-13 GRAD(Rho)y -0.1326997E-13 GRAD(Rho)z 0.8882252E-14 Laplacian 0.4589762E+00 (-1/4)Del**2(Rho)) -0.1147441E+00 Diamond 0.7182489E+00 Metallicity 0.4379034E+01 Ellipticity 0.2333251E-01 Gb(Abramov) 0.1602407E+00 Vb(Abramov) -0.2057374E+00 Hb(Abramov) -0.4549668E-01 Ex_ueg -0.4368135E-01 Ec_ueg -0.6547509E-02 Delta_ex -0.4678973E-01 Delta_ec 0.1246659E-01 Delta_et -0.1605095E+00 Pxc 0.6671445E+01 Qxc -0.3753211E+01 3,-1 161 3 -1 1.741601 1.684336 -0.567727 Rho 0.3870867E-01 |GRAD(Rho)| 0.1680822E-15 GRAD(Rho)x -0.1192944E-15 GRAD(Rho)y -0.9957317E-16 GRAD(Rho)z -0.6407540E-16 Laplacian 0.1530721E+00 (-1/4)Del**2(Rho)) -0.3826803E-01 Diamond 0.5340674E-01 Metallicity 0.1994026E+01 Ellipticity 0.3169565E-01 Gb(Abramov) 0.3822993E-01 Vb(Abramov) -0.3819183E-01 Hb(Abramov) 0.3810005E-04 Ex_ueg -0.9670808E-02 Ec_ueg -0.1800966E-02 Delta_ex -0.1173651E-01 Delta_ec 0.4419214E-02 Delta_et -0.4351777E-01 Pxc 0.5369789E+01 Qxc -0.2655792E+01 3,-1 162 3 +3 1.956007 1.912313 -1.916725 Rho 0.1212901E-01 |GRAD(Rho)| 0.4358274E-15 GRAD(Rho)x -0.2733630E-15 GRAD(Rho)y -0.2411397E-15 GRAD(Rho)z 0.2388929E-15 Laplacian 0.5643939E-01 (-1/4)Del**2(Rho)) -0.1410985E-01 Diamond 0.1485485E-02 Metallicity 0.7817593E+00 Ellipticity -0.8563263E+00 Gb(Abramov) 0.1124498E-01 Vb(Abramov) -0.8380117E-02 Hb(Abramov) 0.2864865E-02 Ex_ueg -0.2058190E-02 Ec_ueg -0.4655278E-03 Delta_ex -0.2551480E-02 Delta_ec 0.3208587E-03 Delta_et -0.2726788E-02 Pxc 0.4421197E+01 Qxc -0.7952036E+01 3,+3 163 3 -1 1.801609 0.535234 2.770481 Rho 0.1203717E+00 |GRAD(Rho)| 0.5759089E-15 GRAD(Rho)x 0.4811554E-15 GRAD(Rho)y -0.3161195E-15 GRAD(Rho)z -0.1513478E-16 Laplacian 0.5012582E+00 (-1/4)Del**2(Rho)) -0.1253146E+00 Diamond 0.7798128E+00 Metallicity 0.4034213E+01 Ellipticity 0.1690891E-01 Gb(Abramov) 0.1678006E+00 Vb(Abramov) -0.2102867E+00 Hb(Abramov) -0.4248609E-01 Ex_ueg -0.4389524E-01 Ec_ueg -0.6574833E-02 Delta_ex -0.5103689E-01 Delta_ec 0.1341109E-01 Delta_et -0.1724684E+00 Pxc 0.6676253E+01 Qxc -0.3805573E+01 3,-1 164 3 -1 2.710184 -1.868072 -0.588625 Rho 0.1286865E+00 |GRAD(Rho)| 0.7971207E-16 GRAD(Rho)x 0.4963952E-16 GRAD(Rho)y 0.6196215E-16 GRAD(Rho)z -0.7115077E-17 Laplacian 0.5307575E+00 (-1/4)Del**2(Rho)) -0.1326894E+00 Diamond 0.8978214E+00 Metallicity 0.4258651E+01 Ellipticity 0.8480576E-02 Gb(Abramov) 0.1826392E+00 Vb(Abramov) -0.2325890E+00 Hb(Abramov) -0.4994983E-01 Ex_ueg -0.4798392E-01 Ec_ueg -0.7093449E-02 Delta_ex -0.5495022E-01 Delta_ec 0.1404565E-01 Delta_et -0.1828014E+00 Pxc 0.6764541E+01 Qxc -0.3912258E+01 3,-1 165 3 -1 2.787108 1.818595 0.575499 Rho 0.1479608E+00 |GRAD(Rho)| 0.1264267E-15 GRAD(Rho)x 0.8658032E-16 GRAD(Rho)y 0.9025983E-16 GRAD(Rho)z 0.1845854E-16 Laplacian 0.6190150E+00 (-1/4)Del**2(Rho)) -0.1547538E+00 Diamond 0.1233094E+01 Metallicity 0.4607760E+01 Ellipticity 0.1388249E-01 Gb(Abramov) 0.2220139E+00 Vb(Abramov) -0.2892740E+00 Hb(Abramov) -0.6726012E-01 Ex_ueg -0.5779817E-01 Ec_ueg -0.8313106E-02 Delta_ex -0.6624430E-01 Delta_ec 0.1574319E-01 Delta_et -0.2091346E+00 Pxc 0.6952656E+01 Qxc -0.4207807E+01 3,-1 166 3 -1 1.991217 2.986954 -0.841093 Rho 0.1378881E+00 |GRAD(Rho)| 0.2920709E-15 GRAD(Rho)x -0.1859813E-15 GRAD(Rho)y 0.1388118E-15 GRAD(Rho)z -0.1773348E-15 Laplacian 0.5399052E+00 (-1/4)Del**2(Rho)) -0.1349763E+00 Diamond 0.9915807E+00 Metallicity 0.4697213E+01 Ellipticity 0.3198153E-01 Gb(Abramov) 0.1956529E+00 Vb(Abramov) -0.2563296E+00 Hb(Abramov) -0.6067664E-01 Ex_ueg -0.5261231E-01 Ec_ueg -0.7672745E-02 Delta_ex -0.5682982E-01 Delta_ec 0.1403845E-01 Delta_et -0.1847029E+00 Pxc 0.6857040E+01 Qxc -0.4048156E+01 3,-1 167 3 -1 1.812923 2.777470 0.546302 Rho 0.1200281E+00 |GRAD(Rho)| 0.9425020E-13 GRAD(Rho)x 0.7277882E-13 GRAD(Rho)y -0.1291903E-13 GRAD(Rho)z -0.5847600E-13 Laplacian 0.5057555E+00 (-1/4)Del**2(Rho)) -0.1264389E+00 Diamond 0.7845582E+00 Metallicity 0.3979335E+01 Ellipticity 0.1182155E-01 Gb(Abramov) 0.1681497E+00 Vb(Abramov) -0.2098605E+00 Hb(Abramov) -0.4171082E-01 Ex_ueg -0.4372825E-01 Ec_ueg -0.6553503E-02 Delta_ex -0.5146571E-01 Delta_ec 0.1355120E-01 Delta_et -0.1742012E+00 Pxc 0.6672501E+01 Qxc -0.3797870E+01 3,-1 168 3 -1 2.741285 -0.635569 -1.822340 Rho 0.1467058E+00 |GRAD(Rho)| 0.1791143E-14 GRAD(Rho)x 0.4509942E-15 GRAD(Rho)y 0.1725697E-14 GRAD(Rho)z 0.1636061E-15 Laplacian 0.6000922E+00 (-1/4)Del**2(Rho)) -0.1500230E+00 Diamond 0.1185137E+01 Metallicity 0.4686055E+01 Ellipticity 0.7929818E-02 Gb(Abramov) 0.2171847E+00 Vb(Abramov) -0.2843464E+00 Hb(Abramov) -0.6716168E-01 Ex_ueg -0.5714542E-01 Ec_ueg -0.8232972E-02 Delta_ex -0.6410478E-01 Delta_ec 0.1532902E-01 Delta_et -0.2034648E+00 Pxc 0.6941044E+01 Qxc -0.4181922E+01 3,-1 169 3 -1 3.011961 -0.856048 2.008310 Rho 0.1808770E+00 |GRAD(Rho)| 0.2686139E-13 GRAD(Rho)x 0.1810116E-13 GRAD(Rho)y 0.5327363E-14 GRAD(Rho)z -0.1911809E-13 Laplacian 0.7008441E+00 (-1/4)Del**2(Rho)) -0.1752110E+00 Diamond 0.1768687E+01 Metallicity 0.5688059E+01 Ellipticity 0.5544864E-01 Gb(Abramov) 0.2829091E+00 Vb(Abramov) -0.3906072E+00 Hb(Abramov) -0.1076981E+00 Ex_ueg -0.7554915E-01 Ec_ueg -0.1044859E-01 Delta_ex -0.7877823E-01 Delta_ec 0.1681794E-01 Delta_et -0.2286569E+00 Pxc 0.7230557E+01 Qxc -0.4684178E+01 3,-1 170 3 -1 3.223872 0.058274 3.210841 Rho 0.2377424E+00 |GRAD(Rho)| 0.2287311E-13 GRAD(Rho)x -0.1572516E-13 GRAD(Rho)y -0.5006412E-14 GRAD(Rho)z -0.1583775E-13 Laplacian 0.8633162E+00 (-1/4)Del**2(Rho)) -0.2158291E+00 Diamond 0.3021964E+01 Metallicity 0.7282620E+01 Ellipticity 0.3402134E-02 Gb(Abramov) 0.4058529E+00 Vb(Abramov) -0.5958767E+00 Hb(Abramov) -0.1900238E+00 Ex_ueg -0.1087745E+00 Ec_ueg -0.1428319E-01 Delta_ex -0.1040663E+00 Delta_ec 0.1915554E-01 Delta_et -0.2653834E+00 Pxc 0.7615562E+01 Qxc -0.5432701E+01 3,-1 171 3 -1 3.267292 -0.100473 -3.189408 Rho 0.2305378E+00 |GRAD(Rho)| 0.2590316E-10 GRAD(Rho)x 0.2062114E-10 GRAD(Rho)y -0.1775871E-11 GRAD(Rho)z -0.1557525E-10 Laplacian 0.8455627E+00 (-1/4)Del**2(Rho)) -0.2113907E+00 Diamond 0.2852050E+01 Metallicity 0.7063789E+01 Ellipticity 0.1733634E-01 Gb(Abramov) 0.3897969E+00 Vb(Abramov) -0.5682032E+00 Hb(Abramov) -0.1784063E+00 Ex_ueg -0.1044018E+00 Ec_ueg -0.1378747E-01 Delta_ex -0.1011119E+00 Delta_ec 0.1892974E-01 Delta_et -0.2619147E+00 Pxc 0.7572221E+01 Qxc -0.5341432E+01 3,-1 172 3 +1 2.912802 0.137965 -0.096274 Rho 0.5074704E-02 |GRAD(Rho)| 0.6709833E-17 GRAD(Rho)x -0.5172038E-19 GRAD(Rho)y 0.6675003E-17 GRAD(Rho)z -0.6808255E-18 Laplacian 0.2054111E-01 (-1/4)Del**2(Rho)) -0.5135278E-02 Diamond 0.5068268E-03 Metallicity 0.5027365E+00 Ellipticity -0.4969634E+01 Gb(Abramov) 0.3853801E-02 Vb(Abramov) -0.2572323E-02 Hb(Abramov) 0.1281477E-02 Ex_ueg -0.6440694E-03 Ec_ueg -0.1501290E-03 Delta_ex -0.1040746E-02 Delta_ec 0.6763422E-03 Delta_et -0.3677584E-02 Pxc 0.4290106E+01 Qxc -0.1538786E+01 3,+1 173 3 -1 2.778539 0.563083 1.829890 Rho 0.1294633E+00 |GRAD(Rho)| 0.1889229E-15 GRAD(Rho)x -0.6240939E-16 GRAD(Rho)y -0.1696505E-15 GRAD(Rho)z 0.5491484E-16 Laplacian 0.5474249E+00 (-1/4)Del**2(Rho)) -0.1368562E+00 Diamond 0.9323796E+00 Metallicity 0.4170612E+01 Ellipticity 0.1138457E-01 Gb(Abramov) 0.1863665E+00 Vb(Abramov) -0.2358768E+00 Hb(Abramov) -0.4951029E-01 Ex_ueg -0.4837051E-01 Ec_ueg -0.7142138E-02 Delta_ex -0.5675361E-01 Delta_ec 0.1445828E-01 Delta_et -0.1883437E+00 Pxc 0.6772553E+01 Qxc -0.3925337E+01 3,-1 174 3 -1 2.941161 -2.026321 0.824417 Rho 0.8081420E-01 |GRAD(Rho)| 0.1570179E-13 GRAD(Rho)x -0.7991007E-14 GRAD(Rho)y -0.9456732E-14 GRAD(Rho)z -0.9657131E-14 Laplacian 0.3180506E+00 (-1/4)Del**2(Rho)) -0.7951266E-01 Diamond 0.3018462E+00 Metallicity 0.3272877E+01 Ellipticity 0.2709658E-02 Gb(Abramov) 0.9638096E-01 Vb(Abramov) -0.1132493E+00 Hb(Abramov) -0.1686830E-01 Ex_ueg -0.2580489E-01 Ec_ueg -0.4178340E-02 Delta_ex -0.2942693E-01 Delta_ec 0.9122781E-02 Delta_et -0.1082121E+00 Pxc 0.6175870E+01 Qxc -0.3225654E+01 3,-1 175 3 -1 3.220772 3.210791 0.066810 Rho 0.2380401E+00 |GRAD(Rho)| 0.9103340E-14 GRAD(Rho)x -0.7560955E-14 GRAD(Rho)y -0.4141110E-14 GRAD(Rho)z -0.2924717E-14 Laplacian 0.8637700E+00 (-1/4)Del**2(Rho)) -0.2159425E+00 Diamond 0.3028043E+01 Metallicity 0.7293992E+01 Ellipticity 0.4133931E-02 Gb(Abramov) 0.4064755E+00 Vb(Abramov) -0.5970085E+00 Hb(Abramov) -0.1905330E+00 Ex_ueg -0.1089562E+00 Ec_ueg -0.1430374E-01 Delta_ex -0.1041547E+00 Delta_ec 0.1915789E-01 Delta_et -0.2654254E+00 Pxc 0.7617323E+01 Qxc -0.5436647E+01 3,-1 176 3 -1 -2.786839 1.767203 -0.538079 Rho 0.1877615E+00 |GRAD(Rho)| 0.1915979E-15 GRAD(Rho)x 0.4119968E-16 GRAD(Rho)y 0.1359590E-15 GRAD(Rho)z 0.1285593E-15 Laplacian 0.7687553E+00 (-1/4)Del**2(Rho)) -0.1921888E+00 Diamond 0.2010136E+01 Metallicity 0.5518688E+01 Ellipticity 0.1638411E-01 Gb(Abramov) 0.3048976E+00 Vb(Abramov) -0.4176063E+00 Hb(Abramov) -0.1127088E+00 Ex_ueg -0.7940729E-01 Ec_ueg -0.1090321E-01 Delta_ex -0.8709160E-01 Delta_ec 0.1801487E-01 Delta_et -0.2450305E+00 Pxc 0.7282925E+01 Qxc -0.4834428E+01 3,-1 177 3 -1 -2.996517 0.873718 2.035267 Rho 0.1345343E+00 |GRAD(Rho)| 0.6102339E-15 GRAD(Rho)x 0.2315720E-15 GRAD(Rho)y 0.1926492E-15 GRAD(Rho)z -0.5307034E-15 Laplacian 0.5364818E+00 (-1/4)Del**2(Rho)) -0.1341205E+00 Diamond 0.9511401E+00 Metallicity 0.4537113E+01 Ellipticity 0.4120545E-01 Gb(Abramov) 0.1908336E+00 Vb(Abramov) -0.2475467E+00 Hb(Abramov) -0.5671313E-01 Ex_ueg -0.5091302E-01 Ec_ueg -0.7460960E-02 Delta_ex -0.5607081E-01 Delta_ec 0.1392088E-01 Delta_et -0.1822358E+00 Pxc 0.6823924E+01 Qxc -0.4027821E+01 3,-1 178 3 -1 0.006930 -3.394361 -1.242300 Rho 0.2713423E-01 |GRAD(Rho)| 0.9151359E-15 GRAD(Rho)x 0.5284720E-15 GRAD(Rho)y -0.4313543E-15 GRAD(Rho)z 0.6100200E-15 Laplacian 0.8783985E-01 (-1/4)Del**2(Rho)) -0.2195996E-01 Diamond 0.3029312E-01 Metallicity 0.1922136E+01 Ellipticity 0.6995553E-02 Gb(Abramov) 0.2167498E-01 Vb(Abramov) -0.2139000E-01 Hb(Abramov) 0.2849817E-03 Ex_ueg -0.6022014E-02 Ec_ueg -0.1196758E-02 Delta_ex -0.7281719E-02 Delta_ec 0.4521096E-02 Delta_et -0.4019128E-01 Pxc 0.5031938E+01 Qxc -0.1610609E+01 3,-1 179 3 -1 2.002706 -0.841564 3.043783 Rho 0.1564676E+00 |GRAD(Rho)| 0.5940142E-12 GRAD(Rho)x -0.3334201E-12 GRAD(Rho)y -0.4006789E-12 GRAD(Rho)z 0.2848515E-12 Laplacian 0.6097930E+00 (-1/4)Del**2(Rho)) -0.1524482E+00 Diamond 0.1299538E+01 Metallicity 0.5134184E+01 Ellipticity 0.2679611E-01 Gb(Abramov) 0.2320817E+00 Vb(Abramov) -0.3117152E+00 Hb(Abramov) -0.7963347E-01 Ex_ueg -0.6227077E-01 Ec_ueg -0.8858810E-02 Delta_ex -0.6616653E-01 Delta_ec 0.1530145E-01 Delta_et -0.2048408E+00 Pxc 0.7029248E+01 Qxc -0.4324200E+01 3,-1 180 3 -1 1.888713 -0.630658 -3.004331 Rho 0.2356812E+00 |GRAD(Rho)| 0.2930229E-15 GRAD(Rho)x -0.5551115E-16 GRAD(Rho)y -0.1192622E-15 GRAD(Rho)z 0.2618348E-15 Laplacian 0.9004265E+00 (-1/4)Del**2(Rho)) -0.2251066E+00 Diamond 0.3088037E+01 Metallicity 0.6881870E+01 Ellipticity 0.1193623E-01 Gb(Abramov) 0.4082635E+00 Vb(Abramov) -0.5914204E+00 Hb(Abramov) -0.1831569E+00 Ex_ueg -0.1075189E+00 Ec_ueg -0.1414108E-01 Delta_ex -0.1081247E+00 Delta_ec 0.1972868E-01 Delta_et -0.2719332E+00 Pxc 0.7603306E+01 Qxc -0.5480585E+01 3,-1 181 3 -1 3.187401 -3.254171 -0.094057 Rho 0.2315811E+00 |GRAD(Rho)| 0.5299496E-08 GRAD(Rho)x 0.4131196E-08 GRAD(Rho)y -0.3250162E-08 GRAD(Rho)z -0.6740396E-09 Laplacian 0.8535385E+00 (-1/4)Del**2(Rho)) -0.2133846E+00 Diamond 0.2888533E+01 Metallicity 0.7050642E+01 Ellipticity 0.1283489E-01 Gb(Abramov) 0.3930062E+00 Vb(Abramov) -0.5726278E+00 Hb(Abramov) -0.1796216E+00 Ex_ueg -0.1050322E+00 Ec_ueg -0.1385908E-01 Delta_ex -0.1021515E+00 Delta_ec 0.1902237E-01 Delta_et -0.2629932E+00 Pxc 0.7578585E+01 Qxc -0.5370072E+01 3,-1 182 3 -1 3.030722 2.008279 -0.841982 Rho 0.1840713E+00 |GRAD(Rho)| 0.2731296E-14 GRAD(Rho)x -0.2108475E-14 GRAD(Rho)y -0.1672246E-14 GRAD(Rho)z -0.4668032E-15 Laplacian 0.7151850E+00 (-1/4)Del**2(Rho)) -0.1787963E+00 Diamond 0.1843569E+01 Metallicity 0.5739026E+01 Ellipticity 0.4967080E-01 Gb(Abramov) 0.2902169E+00 Vb(Abramov) -0.4016375E+00 Hb(Abramov) -0.1114206E+00 Ex_ueg -0.7733329E-01 Ec_ueg -0.1065919E-01 Delta_ex -0.8074890E-01 Delta_ec 0.1708710E-01 Delta_et -0.2327373E+00 Pxc 0.7255078E+01 Qxc -0.4725724E+01 3,-1 183 3 -1 -0.859146 -3.490270 -1.333660 Rho 0.3192072E+00 |GRAD(Rho)| 0.4648025E-15 GRAD(Rho)x 0.4078040E-17 GRAD(Rho)y -0.3064434E-15 GRAD(Rho)z 0.3494527E-15 Laplacian -0.1652724E+01 (-1/4)Del**2(Rho)) 0.4131811E+00 Diamond 0.5684130E+01 Metallicity -0.6216328E+01 Ellipticity 0.2169887E-02 Gb(Abramov) 0.1526241E+00 Vb(Abramov) -0.7184294E+00 Hb(Abramov) -0.5658052E+00 Ex_ueg -0.1611197E+00 Ec_ueg -0.2008672E-01 Delta_ex 0.1646947E+00 Delta_ec 0.5717675E-01 Delta_et -0.1357630E+01 Pxc 0.8021207E+01 Qxc 0.2880448E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 131 109 116 132 129 130 140 112 143 113 136 117 121 135 139 128 119 134 138 120 108 127 151 164 159 174 158 181 161 165 167 182 166 175 56 176 80 68 69 73 89 54 88 66 87 65 91 81 98 77 76 63 83 78 93 177 75 62 154 173 163 169 179 170 156 168 180 153 160 171 125 60 147 105 71 122 178 183 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 18 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 20 28 36 27 52 52 2.417916 2.033337 2.001183 2.022247 1.995510 1.784453 1.709557 1.691216 1.715280 1.720645 2.355996 1.921631 1.947122 1.921661 1.957975 1.744741 2.399778 1.907063 1.896239 1.987260 1.934149 1.747164 2.389400 1.973620 1.770810 2.174659 1.941657 1.757063 2.476332 1.917772 2.001388 1.845399 1.957287 1.746689 2.400016 1.829360 1.945623 1.955459 2.006451 1.751148 2.336141 1.948816 1.912270 1.957696 1.950938 1.744785 2.348460 2.173155 1.972665 1.963475 1.756607 1.758554 2.408337 1.948411 1.881818 1.967147 1.935519 1.745672 2.471556 1.969380 2.001086 1.852093 1.907794 1.747174 2.414559 1.922218 1.750528 2.184750 2.014747 1.758965 3.212933 3.167087 3.307393 3.092328 3.266150 3.198889 1.892334 0.996835 2.420140 2.033520 2.001472 2.022584 1.995950 1.784457 1.709568 1.691260 1.715292 1.720649 2.357710 1.922070 1.947598 1.922295 1.958578 1.744750 2.401700 1.907519 1.896638 1.987828 1.934725 1.747173 2.391145 1.974031 1.770869 2.175221 1.942179 1.757086 2.477877 1.918225 2.001784 1.845773 1.957882 1.746701 2.401588 1.829659 1.945993 1.955990 2.007022 1.751164 2.338225 1.949277 1.912598 1.958405 1.952034 1.744801 2.350798 2.173518 1.973054 1.964066 1.756623 1.758579 2.410106 1.948825 1.882132 1.967765 1.936086 1.745680 2.473145 1.969792 2.001508 1.852505 1.908274 1.747186 2.416079 1.922625 1.750563 2.185292 2.015360 1.758992 3.217661 3.174493 3.311618 3.106466 3.268506 3.202458 1.894640 0.996951 30 28 27 27 29 23 21 23 21 22 30 27 26 27 28 23 31 29 29 25 27 24 30 26 24 27 26 23 31 28 27 23 27 23 30 23 26 26 30 24 29 27 27 27 27 24 29 28 27 27 22 24 30 27 27 25 28 24 32 26 27 22 24 23 31 25 23 29 26 23 35 35 35 33 35 35 24 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Ta As W W W W W W W 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 O O O O O O O O O O O O O O O O H 2.2445 2.5017 2.4611 2.4731 2.3634 2.4443 2.4539 2.4527 2.3844 2.4591 2.4414 2.3405 -1.1144 -1.0274 -1.1212 -1.1172 -0.9629 -0.9939 -0.9326 -0.9736 -0.7724 -0.9661 -0.9800 -0.9670 -0.9673 -0.9832 -0.9629 -0.8363 -0.9559 -0.9998 -0.9551 -0.9862 -0.9947 -0.9844 -0.9815 -0.8077 -0.8121 -0.9872 -1.0130 -0.9793 -0.9179 -0.8508 -0.8106 -0.8222 -0.8480 -0.8221 -0.8329 -0.8110 -0.8433 -0.8188 -0.8244 0.3171 2.0985 0.8336 2.0943 2.0881 2.1299 2.0961 2.0912 2.1155 2.1270 2.0936 2.1010 2.1298 1.9371 1.9479 1.9367 1.9324 1.9307 1.9293 1.9402 1.9292 1.9651 1.9307 1.9289 1.9309 1.9299 1.9276 1.9314 1.9627 1.9442 1.9382 1.9449 1.9396 1.9372 1.9397 1.9399 1.9564 1.8764 1.9399 1.9357 1.9389 1.9448 1.9557 1.9619 1.9601 1.9567 1.9604 1.9587 1.9620 1.9553 1.9613 1.9602 0.5451 6.0706 1.1233 6.0935 6.0849 6.1136 6.0917 6.0885 6.1039 6.0952 6.0923 6.0941 6.1146 5.1405 5.0416 5.1468 5.1475 5.0030 5.0358 4.9623 5.0150 4.7719 5.0067 5.0224 5.0079 5.0080 5.0279 5.0020 4.8409 4.9819 5.0312 4.9801 5.0159 5.0279 5.0140 5.0108 4.8187 4.9055 5.0177 5.0484 5.0094 4.9454 4.8629 4.8143 4.8282 4.8589 4.8277 4.8409 4.8148 4.8557 4.8232 4.8302 0.1379 2.5522 10.5415 3.3216 3.3242 3.3646 3.3386 3.3368 3.2985 3.3648 3.3256 3.3343 3.3868 0.0369 0.0378 0.0377 0.0373 0.0292 0.0288 0.0302 0.0293 0.0353 0.0287 0.0287 0.0281 0.0294 0.0277 0.0295 0.0327 0.0298 0.0303 0.0301 0.0307 0.0296 0.0307 0.0308 0.0327 0.0302 0.0297 0.0289 0.0310 0.0277 0.0322 0.0344 0.0340 0.0324 0.0341 0.0333 0.0342 0.0323 0.0342 0.0340 0.0000 14.0342 0.0000 14.0295 14.0296 14.0284 14.0293 14.0296 14.0293 14.0285 14.0295 14.0292 14.0282 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Ta As W W W W W W W 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 O O O O O O O O O O O O O O O O H 2.369937 2.316719 2.510954 2.506450 2.471628 2.499064 2.495720 2.524864 2.491580 2.503837 2.498586 2.461953 -1.092432 -1.030182 -1.088200 -1.096175 -0.977165 -0.992469 -0.960762 -0.978197 -0.839060 -0.980783 -0.976140 -0.985462 -0.979825 -0.995416 -0.975849 -0.825872 -0.962080 -0.969397 -0.961205 -0.972334 -0.989192 -0.967015 -0.968598 -0.858829 -0.627903 -0.975838 -1.003250 -0.967663 -0.993663 -0.901834 -0.850286 -0.864677 -0.898221 -0.864031 -0.878106 -0.848975 -0.891696 -0.859105 -0.866992 0.063588 1.847208 1.725002 1.932509 1.929303 1.912562 1.929030 1.918671 1.950210 1.937467 1.927919 1.933417 1.923888 -0.733094 -0.703582 -0.728580 -0.736389 -0.725547 -0.737085 -0.745324 -0.730774 -0.731737 -0.738512 -0.721912 -0.762838 -0.732799 -0.753959 -0.740495 -0.690251 -0.816923 -0.788533 -0.817614 -0.806170 -0.830080 -0.801196 -0.804859 -0.768348 -0.822499 -0.816541 -0.836810 -0.799232 -0.923515 -0.816953 -0.760295 -0.774496 -0.814274 -0.772350 -0.788277 -0.750369 -0.811945 -0.768645 -0.775645 0.311257 1.959637 1.675896 2.041288 2.037209 2.006806 2.032619 2.023482 2.066349 2.032041 2.037063 2.037649 2.010459 -0.795256 -0.771332 -0.793019 -0.800726 -0.815228 -0.819043 -0.806217 -0.820552 -0.739483 -0.819768 -0.817309 -0.832616 -0.811441 -0.867910 -0.817374 -0.751392 -0.840380 -0.827313 -0.838498 -0.845811 -0.856237 -0.844425 -0.836109 -0.750775 -0.822133 -0.850937 -0.883284 -0.829756 -0.896674 -0.791260 -0.726933 -0.740641 -0.782396 -0.741112 -0.754653 -0.729585 -0.796452 -0.733311 -0.744538 0.381384 -0.43036191 2.52439621 -1.63449399 3.03798588 -11.70700965 5.03226604 -3.37450833 11.29480794 23.19615822 0.41220171 -379.4998 413.2686 -27.6463 -407.3566 -58.1306 -459.3647 Jun19-2024 11:54:48 Nodes: 1 Procs: 1 Jun19-2024 11:54:50 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:53 Nodes: 1 Procs: 1 Jun19-2024 11:54:54 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:56 Nodes: 1 Procs: 1 Jun19-2024 11:54:59 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:55:03 Nodes: 1 Procs: 1 Jun19-2024 11:55:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:55:06 Nodes: 1 Procs: 1 Jun19-2024 11:55:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 11:55:13 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -16.30060971 -16.70724019 -16.63697694 -16.56403281 -16.73506541 -16.82961177 -16.85196837 -16.85642237 -16.86539525 -16.86908367 -16.87473643 -16.87729825 -16.87879067 -16.88008002 -16.88063459 -16.88080999 -16.88111338 -16.88117915 -16.88124962 -16.88128975 -16.88132402 -16.88134166 GEOMETRY CONVERGED