ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov03-2023 00:37:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.03 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 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov03-2023 00:37:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 0.60 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 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 0 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov03-2023 00:37:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.02 0.47 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 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 0 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov03-2023 00:37:30 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.27 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 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 0 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Nov03-2023 00:37:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov03-2023 00:37:33 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2677.190361000006 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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 Nov03-2023 00:37:31 1 1 Tungsten TZP 4d t21.P ADF 2019 Nov03-2023 00:37:29 1 1 Phosphorus TZP 1s t21.O ADF 2019 Nov03-2023 00:37:30 1 1 Oxygen TZP 1s t21.H ADF 2019 Nov03-2023 00:37:28 1 1 Hydrogen TZP 1 1 -16.89390960 0.02188396 0.00100000 F 0.00634594 0.00066667 F 0.02188396 0.00634594 0.03577071 0.01000000 F 0.00662338 0.00666667 T Cartesian 2677.190361000006 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3.762467 0.211332 -3.770132 3.721500 -0.199421 -3.858217 -3.657598 0.248109 -3.854217 0.291916 -3.645706 -3.747921 -0.182036 3.801128 3.741368 0.159566 3.748579 1.093075 -1.938907 -2.448649 -0.564265 -3.366505 -1.290644 1 3 -3 0.073831 -2.549289 2.554181 Rho 0.4361414E+07 3,-3 2 3 -3 0.071567 2.490944 -2.511385 Rho 0.4361414E+07 3,-3 3 3 -3 -0.108832 2.547559 2.547756 Rho 0.4361414E+07 3,-3 4 3 -3 2.434794 -2.601610 -0.003613 Rho 0.4361415E+07 3,-3 5 3 -3 2.546443 2.546761 -0.075875 Rho 0.4361414E+07 3,-3 6 3 -3 -2.576985 2.487133 0.079164 Rho 0.4361414E+07 3,-3 7 3 -3 -2.597001 -2.519869 -0.094604 Rho 0.4361415E+07 3,-3 8 3 -3 -2.508752 -0.251269 -2.671151 Rho 0.4361415E+07 3,-3 9 3 -3 -2.544435 0.111434 2.588768 Rho 0.4361414E+07 3,-3 10 3 -3 2.543682 -0.137206 2.529995 Rho 0.4361415E+07 3,-3 11 3 -3 2.603090 0.085989 -2.556711 Rho 0.4361415E+07 3,-3 12 3 -3 -0.081908 -0.036584 -0.023879 Rho 0.2439526E+04 3,-3 13 3 -3 0.832510 -0.938609 0.872408 Rho 0.3187816E+03 3,-3 14 3 -3 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3,-3 31 3 -3 3.395848 1.491259 -1.448971 Rho 0.3189510E+03 3,-3 32 3 -3 -3.395959 1.524607 1.572237 Rho 0.3189448E+03 3,-3 33 3 -3 1.453888 -1.479993 3.410245 Rho 0.3189428E+03 3,-3 34 3 -3 1.518470 1.457742 -3.366563 Rho 0.3189459E+03 3,-3 35 3 -3 -1.491725 1.509852 3.435203 Rho 0.3189476E+03 3,-3 36 3 -3 -1.759240 -1.453938 -3.697983 Rho 0.3193095E+03 3,-3 37 3 -3 -1.540755 -3.597941 -1.279444 Rho 0.3187345E+03 3,-3 38 3 -3 -1.481479 3.376589 1.516686 Rho 0.3189670E+03 3,-3 39 3 -3 1.462250 -3.390176 1.520214 Rho 0.3189351E+03 3,-3 40 3 -3 1.508213 3.350094 -1.495279 Rho 0.3189505E+03 3,-3 41 3 -3 -0.208858 -3.745500 3.776642 Rho 0.3193418E+03 3,-3 42 3 -3 3.867531 -0.110129 -3.727143 Rho 0.3193324E+03 3,-3 43 3 -3 -0.194385 3.694242 -3.730879 Rho 0.3193445E+03 3,-3 44 3 -3 0.210555 3.748557 3.757788 Rho 0.3193353E+03 3,-3 45 3 -3 3.681629 -3.796905 -0.222412 Rho 0.3193062E+03 3,-3 46 3 -3 3.746343 3.762467 0.211332 Rho 0.3193463E+03 3,-3 47 3 -3 -3.770132 3.721500 -0.199421 Rho 0.3193154E+03 3,-3 48 3 -3 -3.858217 -3.657598 0.248109 Rho 0.3193461E+03 3,-3 49 3 -3 -3.854217 0.291916 -3.645706 Rho 0.3192798E+03 3,-3 50 3 -3 -3.747921 -0.182036 3.801128 Rho 0.3193429E+03 3,-3 51 3 -3 3.741368 0.159566 3.748579 Rho 0.3193351E+03 3,-3 52 3 -3 1.093075 -1.938907 -2.448649 Rho 0.4276352E+00 3,-3 53 3 -3 -0.564265 -3.366505 -1.290644 Rho 0.4317513E+00 3,-3 54 3 +1 -1.720512 0.540694 -0.496235 Rho 0.9773952E-02 |GRAD(Rho)| 0.4442983E-12 GRAD(Rho)x 0.1971393E-12 GRAD(Rho)y 0.1110051E-12 GRAD(Rho)z -0.3823806E-12 Laplacian 0.4118610E-01 (-1/4)Del**2(Rho)) -0.1029652E-01 Diamond 0.1402243E-02 Metallicity 0.7475603E+00 Ellipticity -0.1487646E+01 Gb(Abramov) 0.8147228E-02 Vb(Abramov) -0.5997932E-02 Hb(Abramov) 0.2149296E-02 Ex_ueg -0.1543401E-02 Ec_ueg -0.3578074E-03 Delta_ex -0.1977985E-02 Delta_ec 0.6404987E-03 Delta_et -0.4476175E-02 Pxc 0.4313495E+01 Qxc -0.3088195E+01 3,+1 55 3 -1 -3.279216 -3.135324 0.089955 Rho 0.2467271E+00 |GRAD(Rho)| 0.1793850E-14 GRAD(Rho)x -0.1309825E-14 GRAD(Rho)y -0.1142532E-14 GRAD(Rho)z 0.4437097E-15 Laplacian 0.9076474E+00 (-1/4)Del**2(Rho)) -0.2269119E+00 Diamond 0.3304889E+01 Metallicity 0.7368698E+01 Ellipticity 0.2051282E-02 Gb(Abramov) 0.4299487E+00 Vb(Abramov) -0.6329856E+00 Hb(Abramov) -0.2030369E+00 Ex_ueg -0.1142898E+00 Ec_ueg -0.1490538E-01 Delta_ex -0.1103873E+00 Delta_ec 0.1975934E-01 Delta_et -0.2733514E+00 Pxc 0.7667690E+01 Qxc -0.5586587E+01 3,-1 56 3 -1 -3.023799 -1.989630 -0.848854 Rho 0.1552178E+00 |GRAD(Rho)| 0.1593194E-15 GRAD(Rho)x -0.1505415E-15 GRAD(Rho)y -0.5841139E-17 GRAD(Rho)z 0.5182486E-16 Laplacian 0.6169888E+00 (-1/4)Del**2(Rho)) -0.1542472E+00 Diamond 0.1305919E+01 Metallicity 0.5006933E+01 Ellipticity 0.6161939E-01 Gb(Abramov) 0.2315490E+00 Vb(Abramov) -0.3088508E+00 Hb(Abramov) -0.7730183E-01 Ex_ueg -0.6160847E-01 Ec_ueg -0.8778361E-02 Delta_ex -0.6684953E-01 Delta_ec 0.1557527E-01 Delta_et -0.2084357E+00 Pxc 0.7018220E+01 Qxc -0.4292031E+01 3,-1 57 3 -1 -1.771759 -1.670267 -0.477923 Rho 0.4635193E-01 |GRAD(Rho)| 0.3877106E-16 GRAD(Rho)x -0.2526784E-16 GRAD(Rho)y 0.2597765E-16 GRAD(Rho)z -0.1378017E-16 Laplacian 0.1838679E+00 (-1/4)Del**2(Rho)) -0.4596698E-01 Diamond 0.8425691E-01 Metallicity 0.2241577E+01 Ellipticity 0.1949032E-01 Gb(Abramov) 0.4781774E-01 Vb(Abramov) -0.4966850E-01 Hb(Abramov) -0.1850760E-02 Ex_ueg -0.1229727E-01 Ec_ueg -0.2214237E-02 Delta_ex -0.1485760E-01 Delta_ec 0.5496172E-02 Delta_et -0.5681746E-01 Pxc 0.5553730E+01 Qxc -0.2703264E+01 3,-1 58 3 +1 2.090318 1.139353 -1.186138 Rho 0.2279826E-01 |GRAD(Rho)| 0.2200332E-14 GRAD(Rho)x 0.1894971E-14 GRAD(Rho)y 0.1301570E-15 GRAD(Rho)z -0.1110678E-14 Laplacian 0.9011304E-01 (-1/4)Del**2(Rho)) -0.2252826E-01 Diamond 0.1149560E-01 Metallicity 0.1401722E+01 Ellipticity -0.6213714E+01 Gb(Abramov) 0.2028190E-01 Vb(Abramov) -0.1803553E-01 Hb(Abramov) 0.2246362E-02 Ex_ueg -0.4774421E-02 Ec_ueg -0.9785119E-03 Delta_ex -0.5605450E-02 Delta_ec 0.1773424E-02 Delta_et -0.1523107E-01 Pxc 0.4879267E+01 Qxc -0.3160806E+01 3,+1 59 3 -1 -1.985079 2.940305 0.839166 Rho 0.1193796E+00 |GRAD(Rho)| 0.1418350E-14 GRAD(Rho)x -0.7456465E-15 GRAD(Rho)y -0.5501106E-15 GRAD(Rho)z -0.1073828E-14 Laplacian 0.4784487E+00 (-1/4)Del**2(Rho)) -0.1196122E+00 Diamond 0.7368120E+00 Metallicity 0.4168642E+01 Ellipticity 0.1116464E-01 Gb(Abramov) 0.1628449E+00 Vb(Abramov) -0.2060775E+00 Hb(Abramov) -0.4323267E-01 Ex_ueg -0.4341354E-01 Ec_ueg -0.6513271E-02 Delta_ex -0.4861649E-01 Delta_ec 0.1282208E-01 Delta_et -0.1646501E+00 Pxc 0.6665397E+01 Qxc -0.3791623E+01 3,-1 60 3 +1 0.091086 2.948643 -0.062997 Rho 0.5381443E-02 |GRAD(Rho)| 0.9463674E-15 GRAD(Rho)x 0.6881642E-15 GRAD(Rho)y -0.2742412E-16 GRAD(Rho)z -0.6490680E-15 Laplacian 0.2200419E-01 (-1/4)Del**2(Rho)) -0.5501049E-02 Diamond 0.6203615E-03 Metallicity 0.5175340E+00 Ellipticity -0.2016652E+02 Gb(Abramov) 0.4141862E-02 Vb(Abramov) -0.2782676E-02 Hb(Abramov) 0.1359186E-02 Ex_ueg -0.6964929E-03 Ec_ueg -0.1633646E-03 Delta_ex -0.1155122E-02 Delta_ec 0.7739177E-03 Delta_et -0.4264310E-02 Pxc 0.4263426E+01 Qxc -0.1492565E+01 3,+1 61 3 +1 1.860450 -1.786930 -1.757286 Rho 0.1430559E-01 |GRAD(Rho)| 0.3473555E-16 GRAD(Rho)x 0.2972662E-16 GRAD(Rho)y 0.5456004E-17 GRAD(Rho)z 0.1712071E-16 Laplacian 0.6819396E-01 (-1/4)Del**2(Rho)) -0.1704849E-01 Diamond 0.3475217E-02 Metallicity 0.8518773E+00 Ellipticity -0.1375969E+01 Gb(Abramov) 0.1378620E-01 Vb(Abramov) -0.1052390E-01 Hb(Abramov) 0.3262293E-02 Ex_ueg -0.2564836E-02 Ec_ueg -0.5670226E-03 Delta_ex -0.3511456E-02 Delta_ec 0.8838606E-03 Delta_et -0.6916808E-02 Pxc 0.4523340E+01 Qxc -0.3972862E+01 3,+1 62 3 +1 0.014775 -2.945950 0.084358 Rho 0.4510166E-02 |GRAD(Rho)| 0.6108816E-16 GRAD(Rho)x 0.4710858E-16 GRAD(Rho)y 0.3652406E-17 GRAD(Rho)z 0.3871957E-16 Laplacian 0.1846756E-01 (-1/4)Del**2(Rho)) -0.4616889E-02 Diamond 0.3486596E-03 Metallicity 0.4594002E+00 Ellipticity -0.1985776E+01 Gb(Abramov) 0.3431426E-02 Vb(Abramov) -0.2245963E-02 Hb(Abramov) 0.1185463E-02 Ex_ueg -0.5503535E-03 Ec_ueg -0.1258945E-03 Delta_ex -0.8722428E-03 Delta_ec 0.5315326E-03 Delta_et -0.2818981E-02 Pxc 0.4371545E+01 Qxc -0.1640996E+01 3,+1 63 3 -1 0.012863 -3.260313 -1.251808 Rho 0.3793685E-01 |GRAD(Rho)| 0.2334003E-13 GRAD(Rho)x -0.7787870E-14 GRAD(Rho)y 0.3347478E-14 GRAD(Rho)z 0.2174628E-13 Laplacian 0.1119670E+00 (-1/4)Del**2(Rho)) -0.2799175E-01 Diamond 0.6208996E-01 Metallicity 0.2636080E+01 Ellipticity 0.2769196E-02 Gb(Abramov) 0.3095925E-01 Vb(Abramov) -0.3392675E-01 Hb(Abramov) -0.2967499E-02 Ex_ueg -0.9414561E-02 Ec_ueg -0.1759814E-02 Delta_ex -0.1004174E-01 Delta_ec 0.5910623E-02 Delta_et -0.5811203E-01 Pxc 0.5349749E+01 Qxc -0.1698931E+01 3,-1 64 3 +1 -2.910388 -0.214207 -0.195160 Rho 0.5309616E-02 |GRAD(Rho)| 0.2875820E-17 GRAD(Rho)x 0.4766016E-18 GRAD(Rho)y 0.1729006E-17 GRAD(Rho)z 0.2248050E-17 Laplacian 0.2193936E-01 (-1/4)Del**2(Rho)) -0.5484841E-02 Diamond 0.4533557E-03 Metallicity 0.5075681E+00 Ellipticity -0.1669013E+01 Gb(Abramov) 0.4120549E-02 Vb(Abramov) -0.2756257E-02 Hb(Abramov) 0.1364292E-02 Ex_ueg -0.6841256E-03 Ec_ueg -0.1602611E-03 Delta_ex -0.1016742E-02 Delta_ec 0.5358140E-03 Delta_et -0.3025106E-02 Pxc 0.4268820E+01 Qxc -0.1897565E+01 3,+1 65 3 +3 -1.142042 -1.099463 1.159645 Rho 0.5130748E-02 |GRAD(Rho)| 0.3877809E-17 GRAD(Rho)x 0.2112527E-17 GRAD(Rho)y -0.3249695E-17 GRAD(Rho)z 0.1188228E-18 Laplacian 0.2120031E-01 (-1/4)Del**2(Rho)) -0.5300077E-02 Diamond 0.1622185E-03 Metallicity 0.4961034E+00 Ellipticity -0.1408598E+00 Gb(Abramov) 0.3971615E-02 Vb(Abramov) -0.2643154E-02 Hb(Abramov) 0.1328461E-02 Ex_ueg -0.6535708E-03 Ec_ueg -0.1525438E-03 Delta_ex -0.7456588E-03 Delta_ec 0.1075481E-03 Delta_et -0.8143793E-03 Pxc 0.4284481E+01 Qxc -0.6933260E+01 3,+3 66 3 +1 1.204872 -1.126261 2.104606 Rho 0.2396239E-01 |GRAD(Rho)| 0.1331129E-15 GRAD(Rho)x 0.1069549E-15 GRAD(Rho)y 0.2218805E-16 GRAD(Rho)z 0.7607488E-16 Laplacian 0.9341528E-01 (-1/4)Del**2(Rho)) -0.2335382E-01 Diamond 0.1198347E-01 Metallicity 0.1469193E+01 Ellipticity -0.4388601E+01 Gb(Abramov) 0.2128776E-01 Vb(Abramov) -0.1922170E-01 Hb(Abramov) 0.2066061E-02 Ex_ueg -0.5102214E-02 Ec_ueg -0.1036615E-02 Delta_ex -0.5797265E-02 Delta_ec 0.1679207E-02 Delta_et -0.1464472E-01 Pxc 0.4921993E+01 Qxc -0.3452383E+01 3,+1 67 3 -1 0.812914 -2.978862 1.991776 Rho 0.1491359E+00 |GRAD(Rho)| 0.2508824E-12 GRAD(Rho)x -0.1785886E-12 GRAD(Rho)y 0.9214153E-13 GRAD(Rho)z 0.1501933E-12 Laplacian 0.5931085E+00 (-1/4)Del**2(Rho)) -0.1482771E+00 Diamond 0.1193601E+01 Metallicity 0.4872849E+01 Ellipticity 0.4634215E-01 Gb(Abramov) 0.2192734E+00 Vb(Abramov) -0.2902697E+00 Hb(Abramov) -0.7099629E-01 Ex_ueg -0.5841103E-01 Ec_ueg -0.8388225E-02 Delta_ex -0.6360368E-01 Delta_ec 0.1506971E-01 Delta_et -0.2004450E+00 Pxc 0.6963455E+01 Qxc -0.4220630E+01 3,-1 68 3 -1 0.441942 -1.709322 1.678662 Rho 0.4141511E-01 |GRAD(Rho)| 0.1932420E-15 GRAD(Rho)x -0.4254255E-16 GRAD(Rho)y -0.1675249E-15 GRAD(Rho)z 0.8641769E-16 Laplacian 0.1634952E+00 (-1/4)Del**2(Rho)) -0.4087379E-01 Diamond 0.6342690E-01 Metallicity 0.2089487E+01 Ellipticity 0.1367901E-01 Gb(Abramov) 0.4148340E-01 Vb(Abramov) -0.4209301E-01 Hb(Abramov) -0.6096103E-03 Ex_ueg -0.1058271E-01 Ec_ueg -0.1946140E-02 Delta_ex -0.1279815E-01 Delta_ec 0.4806096E-02 Delta_et -0.4820310E-01 Pxc 0.5437795E+01 Qxc -0.2662900E+01 3,-1 69 3 -1 3.108872 -3.248590 -0.121873 Rho 0.2417571E+00 |GRAD(Rho)| 0.6978636E-15 GRAD(Rho)x 0.5558705E-15 GRAD(Rho)y -0.4176347E-15 GRAD(Rho)z -0.6002414E-16 Laplacian 0.8789366E+00 (-1/4)Del**2(Rho)) -0.2197342E+00 Diamond 0.3133584E+01 Metallicity 0.7355651E+01 Ellipticity 0.1110668E-01 Gb(Abramov) 0.4158707E+00 Vb(Abramov) -0.6120073E+00 Hb(Abramov) -0.1961366E+00 Ex_ueg -0.1112306E+00 Ec_ueg -0.1456066E-01 Delta_ex -0.1063835E+00 Delta_ec 0.1935205E-01 Delta_et -0.2680244E+00 Pxc 0.7639113E+01 Qxc -0.5497273E+01 3,-1 70 3 +1 2.956410 -0.039950 0.063967 Rho 0.4994328E-02 |GRAD(Rho)| 0.1089666E-16 GRAD(Rho)x -0.5527833E-18 GRAD(Rho)y 0.8554444E-17 GRAD(Rho)z 0.6727036E-17 Laplacian 0.2040076E-01 (-1/4)Del**2(Rho)) -0.5100189E-02 Diamond 0.5251973E-03 Metallicity 0.4929036E+00 Ellipticity -0.9409660E+01 Gb(Abramov) 0.3819110E-02 Vb(Abramov) -0.2538030E-02 Hb(Abramov) 0.1281080E-02 Ex_ueg -0.6305039E-03 Ec_ueg -0.1466687E-03 Delta_ex -0.1060745E-02 Delta_ec 0.7257146E-03 Delta_et -0.3906210E-02 Pxc 0.4298830E+01 Qxc -0.1461656E+01 3,+1 71 3 -1 2.750861 -1.830952 -0.613503 Rho 0.1387039E+00 |GRAD(Rho)| 0.4904317E-15 GRAD(Rho)x 0.2478757E-16 GRAD(Rho)y 0.4073754E-15 GRAD(Rho)z -0.2719450E-15 Laplacian 0.5744602E+00 (-1/4)Del**2(Rho)) -0.1436151E+00 Diamond 0.1066004E+01 Metallicity 0.4458283E+01 Ellipticity 0.1197425E-01 Gb(Abramov) 0.2024561E+00 Vb(Abramov) -0.2612972E+00 Hb(Abramov) -0.5884107E-01 Ex_ueg -0.5302776E-01 Ec_ueg -0.7724369E-02 Delta_ex -0.6059199E-01 Delta_ec 0.1498385E-01 Delta_et -0.1974598E+00 Pxc 0.6864995E+01 Qxc -0.4043821E+01 3,-1 72 3 -1 2.888422 -2.005798 0.789949 Rho 0.1038291E+00 |GRAD(Rho)| 0.1844666E-15 GRAD(Rho)x 0.7787621E-16 GRAD(Rho)y 0.1336686E-15 GRAD(Rho)z 0.1004784E-15 Laplacian 0.4168639E+00 (-1/4)Del**2(Rho)) -0.1042160E+00 Diamond 0.5416146E+00 Metallicity 0.3791555E+01 Ellipticity 0.5123877E-02 Gb(Abramov) 0.1353341E+00 Vb(Abramov) -0.1664522E+00 Hb(Abramov) -0.3111811E-01 Ex_ueg -0.3604214E-01 Ec_ueg -0.5557584E-02 Delta_ex -0.4096805E-01 Delta_ec 0.1150210E-01 Delta_et -0.1439034E+00 Pxc 0.6485217E+01 Qxc -0.3561788E+01 3,-1 73 3 +1 1.282164 2.071268 -1.053529 Rho 0.2459697E-01 |GRAD(Rho)| 0.3433328E-16 GRAD(Rho)x -0.2799635E-17 GRAD(Rho)y -0.3096106E-16 GRAD(Rho)z 0.1457218E-16 Laplacian 0.9591843E-01 (-1/4)Del**2(Rho)) -0.2397961E-01 Diamond 0.1251691E-01 Metallicity 0.1494561E+01 Ellipticity -0.4087807E+01 Gb(Abramov) 0.2195957E-01 Vb(Abramov) -0.1993953E-01 Hb(Abramov) 0.2020037E-02 Ex_ueg -0.5283161E-02 Ec_ueg -0.1068444E-02 Delta_ex -0.5967458E-02 Delta_ec 0.1677080E-02 Delta_et -0.1473307E-01 Pxc 0.4944726E+01 Qxc -0.3558243E+01 3,+1 74 3 -1 2.981197 1.973189 -0.806366 Rho 0.1473085E+00 |GRAD(Rho)| 0.9577204E-14 GRAD(Rho)x -0.4022214E-14 GRAD(Rho)y 0.5140894E-14 GRAD(Rho)z 0.7008269E-14 Laplacian 0.5888819E+00 (-1/4)Del**2(Rho)) -0.1472205E+00 Diamond 0.1171778E+01 Metallicity 0.4808002E+01 Ellipticity 0.2742074E-01 Gb(Abramov) 0.2161197E+00 Vb(Abramov) -0.2850189E+00 Hb(Abramov) -0.6889924E-01 Ex_ueg -0.5745866E-01 Ec_ueg -0.8271443E-02 Delta_ex -0.6300150E-01 Delta_ec 0.1508282E-01 Delta_et -0.2004385E+00 Pxc 0.6946631E+01 Qxc -0.4177036E+01 3,-1 75 3 +1 2.021749 1.977419 -1.995860 Rho 0.1260766E-01 |GRAD(Rho)| 0.1357158E-16 GRAD(Rho)x -0.2862739E-17 GRAD(Rho)y -0.3219599E-17 GRAD(Rho)z -0.1286961E-16 Laplacian 0.6000536E-01 (-1/4)Del**2(Rho)) -0.1500134E-01 Diamond 0.2185807E-02 Metallicity 0.7842971E+00 Ellipticity -0.1175134E+01 Gb(Abramov) 0.1196181E-01 Vb(Abramov) -0.8922283E-02 Hb(Abramov) 0.3039529E-02 Ex_ueg -0.2167194E-02 Ec_ueg -0.4876929E-03 Delta_ex -0.2883523E-02 Delta_ec 0.5918226E-03 Delta_et -0.4631342E-02 Pxc 0.4443767E+01 Qxc -0.4872277E+01 3,+1 76 3 +1 -2.134380 1.197680 1.214624 Rho 0.2546638E-01 |GRAD(Rho)| 0.1985709E-13 GRAD(Rho)x 0.1701204E-13 GRAD(Rho)y -0.7455172E-14 GRAD(Rho)z -0.7022452E-14 Laplacian 0.1007951E+00 (-1/4)Del**2(Rho)) -0.2519877E-01 Diamond 0.1436631E-01 Metallicity 0.1507021E+01 Ellipticity -0.5523209E+01 Gb(Abramov) 0.2312835E-01 Vb(Abramov) -0.2105794E-01 Hb(Abramov) 0.2070412E-02 Ex_ueg -0.5533603E-02 Ec_ueg -0.1112224E-02 Delta_ex -0.6389347E-02 Delta_ec 0.1870025E-02 Delta_et -0.1654684E-01 Pxc 0.4975258E+01 Qxc -0.3416717E+01 3,+1 77 3 -1 -2.983224 -0.933230 -2.039045 Rho 0.1320908E+00 |GRAD(Rho)| 0.2343707E-13 GRAD(Rho)x 0.1213149E-13 GRAD(Rho)y 0.1525893E-13 GRAD(Rho)z -0.1301109E-13 Laplacian 0.5139322E+00 (-1/4)Del**2(Rho)) -0.1284830E+00 Diamond 0.9108888E+00 Metallicity 0.4593687E+01 Ellipticity 0.2355197E-01 Gb(Abramov) 0.1840238E+00 Vb(Abramov) -0.2395646E+00 Hb(Abramov) -0.5554080E-01 Ex_ueg -0.4968382E-01 Ec_ueg -0.7307121E-02 Delta_ex -0.5370715E-01 Delta_ec 0.1380720E-01 Delta_et -0.1810174E+00 Pxc 0.6799370E+01 Qxc -0.3889792E+01 3,-1 78 3 +1 -1.793211 -1.723703 1.816574 Rho 0.1263445E-01 |GRAD(Rho)| 0.5254548E-14 GRAD(Rho)x -0.1604445E-16 GRAD(Rho)y -0.3514386E-14 GRAD(Rho)z -0.3906291E-14 Laplacian 0.6372635E-01 (-1/4)Del**2(Rho)) -0.1593159E-01 Diamond 0.2707033E-02 Metallicity 0.7411189E+00 Ellipticity -0.1251342E+01 Gb(Abramov) 0.1258893E-01 Vb(Abramov) -0.9246263E-02 Hb(Abramov) 0.3342663E-02 Ex_ueg -0.2173335E-02 Ec_ueg -0.4889360E-03 Delta_ex -0.3166335E-02 Delta_ec 0.8110231E-03 Delta_et -0.6170298E-02 Pxc 0.4445030E+01 Qxc -0.3904125E+01 3,+1 79 3 -1 -0.503048 1.688715 1.701174 Rho 0.4115921E-01 |GRAD(Rho)| 0.5253866E-12 GRAD(Rho)x -0.4598497E-12 GRAD(Rho)y 0.1186210E-12 GRAD(Rho)z 0.2247186E-12 Laplacian 0.1636167E+00 (-1/4)Del**2(Rho)) -0.4090418E-01 Diamond 0.6290509E-01 Metallicity 0.2066477E+01 Ellipticity 0.2857121E-01 Gb(Abramov) 0.4135738E-01 Vb(Abramov) -0.4181058E-01 Hb(Abramov) -0.4531985E-03 Ex_ueg -0.1049561E-01 Ec_ueg -0.1932357E-02 Delta_ex -0.1278589E-01 Delta_ec 0.4806259E-02 Delta_et -0.4812439E-01 Pxc 0.5431509E+01 Qxc -0.2660258E+01 3,-1 80 3 -1 0.249131 -1.163824 -1.870400 Rho 0.5757362E-02 |GRAD(Rho)| 0.2271509E-16 GRAD(Rho)x 0.8720310E-17 GRAD(Rho)y -0.1193925E-16 GRAD(Rho)z -0.1724488E-16 Laplacian 0.2338003E-01 (-1/4)Del**2(Rho)) -0.5845008E-02 Diamond 0.7987791E-03 Metallicity 0.5450972E+00 Ellipticity 0.8305501E+00 Gb(Abramov) 0.4427688E-02 Vb(Abramov) -0.3010368E-02 Hb(Abramov) 0.1417320E-02 Ex_ueg -0.7621078E-03 Ec_ueg -0.1796494E-03 Delta_ex -0.1302305E-02 Delta_ec 0.9280825E-03 Delta_et -0.5181853E-02 Pxc 0.4242196E+01 Qxc -0.1403222E+01 3,-1 81 3 -1 -3.236425 0.042106 -3.197577 Rho 0.2374206E+00 |GRAD(Rho)| 0.4360169E-15 GRAD(Rho)x -0.2307182E-15 GRAD(Rho)y 0.2011466E-15 GRAD(Rho)z -0.3105155E-15 Laplacian 0.8706889E+00 (-1/4)Del**2(Rho)) -0.2176722E+00 Diamond 0.3037634E+01 Metallicity 0.7204671E+01 Ellipticity 0.2133965E-01 Gb(Abramov) 0.4064910E+00 Vb(Abramov) -0.5953097E+00 Hb(Abramov) -0.1888187E+00 Ex_ueg -0.1085783E+00 Ec_ueg -0.1426099E-01 Delta_ex -0.1048901E+00 Delta_ec 0.1927697E-01 Delta_et -0.2668352E+00 Pxc 0.7613656E+01 Qxc -0.5441211E+01 3,-1 82 3 +1 -1.729046 -0.508617 0.583119 Rho 0.9374774E-02 |GRAD(Rho)| 0.8174559E-17 GRAD(Rho)x 0.3663245E-17 GRAD(Rho)y 0.7192170E-17 GRAD(Rho)z 0.1294888E-17 Laplacian 0.3943934E-01 (-1/4)Del**2(Rho)) -0.9859834E-02 Diamond 0.1252443E-02 Metallicity 0.7282574E+00 Ellipticity -0.1455961E+01 Gb(Abramov) 0.7769972E-02 Vb(Abramov) -0.5680110E-02 Hb(Abramov) 0.2089862E-02 Ex_ueg -0.1459932E-02 Ec_ueg -0.3397775E-03 Delta_ex -0.1867879E-02 Delta_ec 0.6017582E-03 Delta_et -0.4168025E-02 Pxc 0.4296730E+01 Qxc -0.3104036E+01 3,+1 83 3 -1 -3.195664 -0.046824 3.244761 Rho 0.2466821E+00 |GRAD(Rho)| 0.5320041E-15 GRAD(Rho)x -0.2911083E-15 GRAD(Rho)y -0.1409192E-15 GRAD(Rho)z 0.4224052E-15 Laplacian 0.8945394E+00 (-1/4)Del**2(Rho)) -0.2236348E+00 Diamond 0.3266180E+01 Metallicity 0.7474400E+01 Ellipticity 0.9111264E-03 Gb(Abramov) 0.4276793E+00 Vb(Abramov) -0.6317237E+00 Hb(Abramov) -0.2040444E+00 Ex_ueg -0.1142620E+00 Ec_ueg -0.1490225E-01 Delta_ex -0.1088378E+00 Delta_ec 0.1956424E-01 Delta_et -0.2710616E+00 Pxc 0.7667434E+01 Qxc -0.5563100E+01 3,-1 84 3 +1 -0.609458 0.506586 -1.675651 Rho 0.9040549E-02 |GRAD(Rho)| 0.2854210E-15 GRAD(Rho)x 0.1057572E-15 GRAD(Rho)y -0.1475884E-15 GRAD(Rho)z 0.2202231E-15 Laplacian 0.3847584E-01 (-1/4)Del**2(Rho)) -0.9618960E-02 Diamond 0.1185527E-02 Metallicity 0.7026672E+00 Ellipticity -0.1449685E+01 Gb(Abramov) 0.7539128E-02 Vb(Abramov) -0.5459296E-02 Hb(Abramov) 0.2079832E-02 Ex_ueg -0.1390950E-02 Ec_ueg -0.3247343E-03 Delta_ex -0.1815258E-02 Delta_ec 0.6041043E-03 Delta_et -0.4132199E-02 Pxc 0.4283347E+01 Qxc -0.3004876E+01 3,+1 85 3 +1 -1.757335 1.738068 -1.733617 Rho 0.1181975E-01 |GRAD(Rho)| 0.1115942E-15 GRAD(Rho)x 0.7169194E-16 GRAD(Rho)y -0.3095974E-16 GRAD(Rho)z -0.7971844E-16 Laplacian 0.5787378E-01 (-1/4)Del**2(Rho)) -0.1446845E-01 Diamond 0.2285942E-02 Metallicity 0.7302615E+00 Ellipticity -0.1286680E+01 Gb(Abramov) 0.1140659E-01 Vb(Abramov) -0.8344731E-02 Hb(Abramov) 0.3061857E-02 Ex_ueg -0.1988518E-02 Ec_ueg -0.4512544E-03 Delta_ex -0.2837718E-02 Delta_ec 0.7588671E-03 Delta_et -0.5663261E-02 Pxc 0.4406644E+01 Qxc -0.3739413E+01 3,+1 86 3 +1 -0.575618 1.672633 -0.517800 Rho 0.8876929E-02 |GRAD(Rho)| 0.1660344E-15 GRAD(Rho)x 0.1120895E-15 GRAD(Rho)y 0.9451831E-17 GRAD(Rho)z -0.1221230E-15 Laplacian 0.3680729E-01 (-1/4)Del**2(Rho)) -0.9201822E-02 Diamond 0.1053255E-02 Metallicity 0.7124984E+00 Ellipticity -0.1416236E+01 Gb(Abramov) 0.7227262E-02 Vb(Abramov) -0.5252702E-02 Hb(Abramov) 0.1974560E-02 Ex_ueg -0.1357486E-02 Ec_ueg -0.3173876E-03 Delta_ex -0.1705758E-02 Delta_ec 0.5370298E-03 Delta_et -0.3685222E-02 Pxc 0.4277060E+01 Qxc -0.3176282E+01 3,+1 87 3 -1 -1.712338 1.660471 0.493851 Rho 0.4177679E-01 |GRAD(Rho)| 0.1012766E-15 GRAD(Rho)x -0.3703186E-16 GRAD(Rho)y 0.9001101E-16 GRAD(Rho)z -0.2799296E-16 Laplacian 0.1641984E+00 (-1/4)Del**2(Rho)) -0.4104959E-01 Diamond 0.6433975E-01 Metallicity 0.2110908E+01 Ellipticity 0.2030470E-01 Gb(Abramov) 0.4180838E-01 Vb(Abramov) -0.4256717E-01 Hb(Abramov) -0.7587909E-03 Ex_ueg -0.1070611E-01 Ec_ueg -0.1965640E-02 Delta_ex -0.1287463E-01 Delta_ec 0.4814977E-02 Delta_et -0.4840282E-01 Pxc 0.5446630E+01 Qxc -0.2673872E+01 3,-1 88 3 +1 -1.274775 2.110701 1.117390 Rho 0.2599586E-01 |GRAD(Rho)| 0.2084190E-16 GRAD(Rho)x 0.6852616E-17 GRAD(Rho)y 0.1821524E-16 GRAD(Rho)z 0.7458671E-17 Laplacian 0.1039698E+00 (-1/4)Del**2(Rho)) -0.2599244E-01 Diamond 0.1512649E-01 Metallicity 0.1511982E+01 Ellipticity -0.5060443E+01 Gb(Abramov) 0.2387831E-01 Vb(Abramov) -0.2176418E-01 Hb(Abramov) 0.2114131E-02 Ex_ueg -0.5687534E-02 Ec_ueg -0.1138984E-02 Delta_ex -0.6614367E-02 Delta_ec 0.1907313E-02 Delta_et -0.1696819E-01 Pxc 0.4993516E+01 Qxc -0.3467898E+01 3,+1 89 3 +3 -1.846080 1.842570 1.873625 Rho 0.1243053E-01 |GRAD(Rho)| 0.1506877E-16 GRAD(Rho)x 0.7703848E-18 GRAD(Rho)y -0.9163783E-17 GRAD(Rho)z -0.1193732E-16 Laplacian 0.5682013E-01 (-1/4)Del**2(Rho)) -0.1420503E-01 Diamond 0.1282086E-02 Metallicity 0.8089602E+00 Ellipticity -0.6801573E+00 Gb(Abramov) 0.1138524E-01 Vb(Abramov) -0.8565446E-02 Hb(Abramov) 0.2819793E-02 Ex_ueg -0.2126692E-02 Ec_ueg -0.4794802E-03 Delta_ex -0.2513737E-02 Delta_ec 0.1923511E-03 Delta_et -0.1865702E-02 Pxc 0.4435413E+01 Qxc -0.1306848E+02 3,+3 90 3 +1 -2.002111 2.008130 2.038589 Rho 0.1271588E-01 |GRAD(Rho)| 0.2621415E-14 GRAD(Rho)x 0.1476326E-14 GRAD(Rho)y -0.1519093E-14 GRAD(Rho)z -0.1544225E-14 Laplacian 0.5990729E-01 (-1/4)Del**2(Rho)) -0.1497682E-01 Diamond 0.2134651E-02 Metallicity 0.7968515E+00 Ellipticity -0.1162192E+01 Gb(Abramov) 0.1197360E-01 Vb(Abramov) -0.8970375E-02 Hb(Abramov) 0.3003223E-02 Ex_ueg -0.2192032E-02 Ec_ueg -0.4927164E-03 Delta_ex -0.2865921E-02 Delta_ec 0.5557705E-03 Delta_et -0.4391690E-02 Pxc 0.4448871E+01 Qxc -0.5156663E+01 3,+1 91 3 -1 -1.810920 2.764598 -0.565687 Rho 0.1335055E+00 |GRAD(Rho)| 0.2316568E-15 GRAD(Rho)x -0.2149973E-15 GRAD(Rho)y 0.4645806E-16 GRAD(Rho)z 0.7268220E-16 Laplacian 0.5545681E+00 (-1/4)Del**2(Rho)) -0.1386420E+00 Diamond 0.9837789E+00 Metallicity 0.4333349E+01 Ellipticity 0.1051476E-01 Gb(Abramov) 0.1925587E+00 Vb(Abramov) -0.2464754E+00 Hb(Abramov) -0.5391671E-01 Ex_ueg -0.5039460E-01 Ec_ueg -0.7396145E-02 Delta_ex -0.5796509E-01 Delta_ec 0.1461626E-01 Delta_et -0.1914975E+00 Pxc 0.6813631E+01 Qxc -0.3965794E+01 3,-1 92 3 +1 1.666291 -0.560843 -0.552839 Rho 0.8064210E-02 |GRAD(Rho)| 0.3025792E-14 GRAD(Rho)x -0.1035413E-14 GRAD(Rho)y 0.2532687E-14 GRAD(Rho)z -0.1291834E-14 Laplacian 0.3332417E-01 (-1/4)Del**2(Rho)) -0.8331042E-02 Diamond 0.8547054E-03 Metallicity 0.6705898E+00 Ellipticity -0.1405892E+01 Gb(Abramov) 0.6485147E-02 Vb(Abramov) -0.4639251E-02 Hb(Abramov) 0.1845895E-02 Ex_ueg -0.1194357E-02 Ec_ueg -0.2810715E-03 Delta_ex -0.1516382E-02 Delta_ec 0.5019952E-03 Delta_et -0.3347336E-02 Pxc 0.4249299E+01 Qxc -0.3020711E+01 3,+1 93 3 +1 -0.119906 2.954293 0.146773 Rho 0.5354735E-02 |GRAD(Rho)| 0.3799780E-17 GRAD(Rho)x -0.1974052E-17 GRAD(Rho)y -0.8010431E-18 GRAD(Rho)z -0.3146391E-17 Laplacian 0.2207863E-01 (-1/4)Del**2(Rho)) -0.5519658E-02 Diamond 0.5700573E-03 Metallicity 0.5115298E+00 Ellipticity -0.3375212E+01 Gb(Abramov) 0.4150350E-02 Vb(Abramov) -0.2781042E-02 Hb(Abramov) 0.1369308E-02 Ex_ueg -0.6918878E-03 Ec_ueg -0.1622103E-03 Delta_ex -0.1117056E-02 Delta_ec 0.7035231E-03 Delta_et -0.3896804E-02 Pxc 0.4265376E+01 Qxc -0.1587803E+01 3,+1 94 3 -1 -0.840763 2.972413 1.986478 Rho 0.1568750E+00 |GRAD(Rho)| 0.2067106E-15 GRAD(Rho)x 0.7586705E-16 GRAD(Rho)y 0.1357557E-15 GRAD(Rho)z 0.1361758E-15 Laplacian 0.6197165E+00 (-1/4)Del**2(Rho)) -0.1549291E+00 Diamond 0.1324575E+01 Metallicity 0.5073916E+01 Ellipticity 0.4236298E-01 Gb(Abramov) 0.2343023E+00 Vb(Abramov) -0.3136755E+00 Hb(Abramov) -0.7937317E-01 Ex_ueg -0.6248708E-01 Ec_ueg -0.8885059E-02 Delta_ex -0.6728427E-01 Delta_ec 0.1553623E-01 Delta_et -0.2080449E+00 Pxc 0.7032827E+01 Qxc -0.4330798E+01 3,-1 95 3 +3 1.092535 1.086048 1.069606 Rho 0.4605816E-02 |GRAD(Rho)| 0.1273550E-10 GRAD(Rho)x 0.7647840E-11 GRAD(Rho)y 0.7756146E-11 GRAD(Rho)z 0.6598909E-11 Laplacian 0.1895428E-01 (-1/4)Del**2(Rho)) -0.4738570E-02 Diamond 0.1306308E-03 Metallicity 0.4635360E+00 Ellipticity -0.1570204E+00 Gb(Abramov) 0.3525130E-02 Vb(Abramov) -0.2311689E-02 Hb(Abramov) 0.1213440E-02 Ex_ueg -0.5659705E-03 Ec_ueg -0.1299891E-03 Delta_ex -0.6529199E-03 Delta_ec 0.1063180E-03 Delta_et -0.7632732E-03 Pxc 0.4353985E+01 Qxc -0.6141197E+01 3,+3 96 3 +1 -0.569710 -0.549242 1.706905 Rho 0.8533423E-02 |GRAD(Rho)| 0.7423692E-15 GRAD(Rho)x 0.1905480E-15 GRAD(Rho)y 0.4585079E-15 GRAD(Rho)z -0.5518822E-15 Laplacian 0.3552632E-01 (-1/4)Del**2(Rho)) -0.8881580E-02 Diamond 0.9757599E-03 Metallicity 0.6911969E+00 Ellipticity -0.1410462E+01 Gb(Abramov) 0.6944207E-02 Vb(Abramov) -0.5006833E-02 Hb(Abramov) 0.1937373E-02 Ex_ueg -0.1287902E-02 Ec_ueg -0.3020023E-03 Delta_ex -0.1635748E-02 Delta_ec 0.5284004E-03 Delta_et -0.3581183E-02 Pxc 0.4264543E+01 Qxc -0.3095659E+01 3,+1 97 3 -1 -0.594246 1.770441 -2.759342 Rho 0.1549044E+00 |GRAD(Rho)| 0.2162412E-15 GRAD(Rho)x -0.2072181E-15 GRAD(Rho)y -0.1238701E-16 GRAD(Rho)z 0.6055947E-16 Laplacian 0.6654336E+00 (-1/4)Del**2(Rho)) -0.1663584E+00 Diamond 0.1395471E+01 Metallicity 0.4626806E+01 Ellipticity 0.2009160E-01 Gb(Abramov) 0.2391903E+00 Vb(Abramov) -0.3120222E+00 Hb(Abramov) -0.7283189E-01 Ex_ueg -0.6144267E-01 Ec_ueg -0.8758202E-02 Delta_ex -0.7197115E-01 Delta_ec 0.1664363E-01 Delta_et -0.2222799E+00 Pxc 0.7015443E+01 Qxc -0.4324245E+01 3,-1 98 3 +3 0.001062 2.314962 0.029962 Rho 0.4469156E-02 |GRAD(Rho)| 0.1882405E-14 GRAD(Rho)x 0.1244207E-14 GRAD(Rho)y -0.1324903E-14 GRAD(Rho)z -0.4899306E-15 Laplacian 0.1856270E-01 (-1/4)Del**2(Rho)) -0.4640675E-02 Diamond 0.1541842E-03 Metallicity 0.4501404E+00 Ellipticity -0.3154209E+00 Gb(Abramov) 0.3441942E-02 Vb(Abramov) -0.2243210E-02 Hb(Abramov) 0.1198732E-02 Ex_ueg -0.5436914E-03 Ec_ueg -0.1241404E-03 Delta_ex -0.6681102E-03 Delta_ec 0.1645851E-03 Delta_et -0.1035794E-02 Pxc 0.4379647E+01 Qxc -0.4059360E+01 3,+3 99 3 -1 -0.843959 1.984337 3.002092 Rho 0.1421709E+00 |GRAD(Rho)| 0.1089507E-11 GRAD(Rho)x -0.7776548E-12 GRAD(Rho)y -0.5950543E-12 GRAD(Rho)z 0.4776915E-12 Laplacian 0.5653931E+00 (-1/4)Del**2(Rho)) -0.1413483E+00 Diamond 0.1078662E+01 Metallicity 0.4720057E+01 Ellipticity 0.3330752E-01 Gb(Abramov) 0.2054275E+00 Vb(Abramov) -0.2695067E+00 Hb(Abramov) -0.6407922E-01 Ex_ueg -0.5480237E-01 Ec_ueg -0.7944238E-02 Delta_ex -0.5997233E-01 Delta_ec 0.1461910E-01 Delta_et -0.1932930E+00 Pxc 0.6898380E+01 Qxc -0.4102328E+01 3,-1 100 3 +1 -0.211322 -0.407347 -3.033759 Rho 0.3282690E-02 |GRAD(Rho)| 0.4090874E-16 GRAD(Rho)x -0.3869517E-16 GRAD(Rho)y -0.1100301E-16 GRAD(Rho)z -0.7425804E-17 Laplacian 0.1287824E-01 (-1/4)Del**2(Rho)) -0.3219559E-02 Diamond 0.1500287E-03 Metallicity 0.3879776E+00 Ellipticity -0.1592226E+01 Gb(Abramov) 0.2354559E-02 Vb(Abramov) -0.1489558E-02 Hb(Abramov) 0.8650002E-03 Ex_ueg -0.3603227E-03 Ec_ueg -0.7377546E-04 Delta_ex -0.5582673E-03 Delta_ec 0.3454587E-03 Delta_et -0.1677421E-02 Pxc 0.4884045E+01 Qxc -0.1616018E+01 3,+1 101 3 -1 -0.578489 2.764042 -1.775301 Rho 0.1498914E+00 |GRAD(Rho)| 0.7897013E-13 GRAD(Rho)x 0.7658922E-13 GRAD(Rho)y 0.1872971E-13 GRAD(Rho)z 0.4423843E-14 Laplacian 0.6238149E+00 (-1/4)Del**2(Rho)) -0.1559537E+00 Diamond 0.1259829E+01 Metallicity 0.4672170E+01 Ellipticity 0.1261016E-01 Gb(Abramov) 0.2254095E+00 Vb(Abramov) -0.2948653E+00 Hb(Abramov) -0.6945581E-01 Ex_ueg -0.5880587E-01 Ec_ueg -0.8436563E-02 Delta_ex -0.6694767E-01 Delta_ec 0.1577291E-01 Delta_et -0.2098148E+00 Pxc 0.6970359E+01 Qxc -0.4244471E+01 3,-1 102 3 -1 1.661823 1.673305 -0.485715 Rho 0.3421289E-01 |GRAD(Rho)| 0.1152451E-16 GRAD(Rho)x -0.1284208E-17 GRAD(Rho)y -0.1020294E-16 GRAD(Rho)z -0.5202423E-17 Laplacian 0.1310377E+00 (-1/4)Del**2(Rho)) -0.3275944E-01 Diamond 0.3842530E-01 Metallicity 0.1896122E+01 Ellipticity 0.1885933E-01 Gb(Abramov) 0.3219228E-01 Vb(Abramov) -0.3162511E-01 Hb(Abramov) 0.5671614E-03 Ex_ueg -0.8202976E-02 Ec_ueg -0.1562891E-02 Delta_ex -0.9728414E-02 Delta_ec 0.3757223E-02 Delta_et -0.3578253E-01 Pxc 0.5248592E+01 Qxc -0.2589256E+01 3,-1 103 3 -1 0.063430 3.197291 3.202442 Rho 0.2458781E+00 |GRAD(Rho)| 0.7384131E-08 GRAD(Rho)x 0.1357360E-08 GRAD(Rho)y 0.5113033E-08 GRAD(Rho)z 0.5151685E-08 Laplacian 0.8922597E+00 (-1/4)Del**2(Rho)) -0.2230649E+00 Diamond 0.3244980E+01 Metallicity 0.7452837E+01 Ellipticity 0.4450576E-02 Gb(Abramov) 0.4257877E+00 Vb(Abramov) -0.6285105E+00 Hb(Abramov) -0.2027228E+00 Ex_ueg -0.1137657E+00 Ec_ueg -0.1484640E-01 Delta_ex -0.1084671E+00 Delta_ec 0.1953264E-01 Delta_et -0.2705966E+00 Pxc 0.7662853E+01 Qxc -0.5553122E+01 3,-1 104 3 -1 -0.071536 3.141896 -3.171137 Rho 0.2463654E+00 |GRAD(Rho)| 0.3833841E-15 GRAD(Rho)x 0.1454728E-15 GRAD(Rho)y 0.2314772E-15 GRAD(Rho)z 0.2687737E-15 Laplacian 0.8998202E+00 (-1/4)Del**2(Rho)) -0.2249551E+00 Diamond 0.3274209E+01 Metallicity 0.7414641E+01 Ellipticity 0.1464513E-02 Gb(Abramov) 0.4279635E+00 Vb(Abramov) -0.6309720E+00 Hb(Abramov) -0.2030085E+00 Ex_ueg -0.1140664E+00 Ec_ueg -0.1488024E-01 Delta_ex -0.1094117E+00 Delta_ec 0.1963067E-01 Delta_et -0.2717139E+00 Pxc 0.7665631E+01 Qxc -0.5573509E+01 3,-1 105 3 -1 0.570960 2.793352 1.810257 Rho 0.1383451E+00 |GRAD(Rho)| 0.1904223E-13 GRAD(Rho)x -0.9957855E-15 GRAD(Rho)y -0.1319463E-13 GRAD(Rho)z 0.1369368E-13 Laplacian 0.5807839E+00 (-1/4)Del**2(Rho)) -0.1451960E+00 Diamond 0.1074432E+01 Metallicity 0.4390747E+01 Ellipticity 0.1060131E-01 Gb(Abramov) 0.2030505E+00 Vb(Abramov) -0.2609049E+00 Hb(Abramov) -0.5785448E-01 Ex_ueg -0.5284496E-01 Ec_ueg -0.7701662E-02 Delta_ex -0.6122094E-01 Delta_ec 0.1515910E-01 Delta_et -0.1996912E+00 Pxc 0.6861501E+01 Qxc -0.4038560E+01 3,-1 106 3 +1 1.961187 -2.015197 2.011517 Rho 0.1253935E-01 |GRAD(Rho)| 0.8577542E-17 GRAD(Rho)x -0.7070262E-17 GRAD(Rho)y -0.2578392E-17 GRAD(Rho)z -0.4115521E-17 Laplacian 0.5906650E-01 (-1/4)Del**2(Rho)) -0.1476663E-01 Diamond 0.2124742E-02 Metallicity 0.7895815E+00 Ellipticity -0.1185089E+01 Gb(Abramov) 0.1178766E-01 Vb(Abramov) -0.8808693E-02 Hb(Abramov) 0.2978966E-02 Ex_ueg -0.2151552E-02 Ec_ueg -0.4845242E-03 Delta_ex -0.2831236E-02 Delta_ec 0.5773071E-03 Delta_et -0.4517574E-02 Pxc 0.4440545E+01 Qxc -0.4904211E+01 3,+1 107 3 -1 1.139372 -2.297966 -2.025637 Rho 0.4739366E-01 |GRAD(Rho)| 0.2187057E-16 GRAD(Rho)x -0.6752609E-17 GRAD(Rho)y 0.1994393E-16 GRAD(Rho)z -0.5913018E-17 Laplacian 0.1267917E+00 (-1/4)Del**2(Rho)) -0.3169791E-01 Diamond 0.9323441E-01 Metallicity 0.3373310E+01 Ellipticity 0.1487873E-01 Gb(Abramov) 0.3895309E-01 Vb(Abramov) -0.4620826E-01 Hb(Abramov) -0.7255176E-02 Ex_ueg -0.1266714E-01 Ec_ueg -0.2271319E-02 Delta_ex -0.1184645E-01 Delta_ec 0.6545667E-02 Delta_et -0.6872456E-01 Pxc 0.5576998E+01 Qxc -0.1809816E+01 3,-1 108 3 +1 0.301776 -1.484225 -1.684676 Rho 0.5581971E-02 |GRAD(Rho)| 0.1983194E-14 GRAD(Rho)x 0.1193447E-14 GRAD(Rho)y -0.1565984E-14 GRAD(Rho)z 0.2375624E-15 Laplacian 0.2252681E-01 (-1/4)Del**2(Rho)) -0.5631702E-02 Diamond 0.5600581E-03 Metallicity 0.5373114E+00 Ellipticity -0.2318451E+01 Gb(Abramov) 0.4258798E-02 Vb(Abramov) -0.2885893E-02 Hb(Abramov) 0.1372904E-02 Ex_ueg -0.7313105E-03 Ec_ueg -0.1720427E-03 Delta_ex -0.1104888E-02 Delta_ec 0.6390591E-03 Delta_et -0.3615199E-02 Pxc 0.4250750E+01 Qxc -0.1728929E+01 3,+1 109 3 -1 0.095282 -1.955933 -1.016379 Rho 0.7960633E-02 |GRAD(Rho)| 0.2050046E-14 GRAD(Rho)x -0.5229183E-15 GRAD(Rho)y -0.1320274E-14 GRAD(Rho)z 0.1478554E-14 Laplacian 0.3128382E-01 (-1/4)Del**2(Rho)) -0.7820954E-02 Diamond 0.1592236E-02 Metallicity 0.6991002E+00 Ellipticity 0.5625369E+00 Gb(Abramov) 0.6125241E-02 Vb(Abramov) -0.4429528E-02 Hb(Abramov) 0.1695713E-02 Ex_ueg -0.1173947E-02 Ec_ueg -0.2764645E-03 Delta_ex -0.1820471E-02 Delta_ec 0.1188096E-02 Delta_et -0.7339150E-02 Pxc 0.4246285E+01 Qxc -0.1532258E+01 3,-1 110 3 +3 1.783409 -1.839675 1.823963 Rho 0.1215385E-01 |GRAD(Rho)| 0.3091820E-13 GRAD(Rho)x -0.1829081E-13 GRAD(Rho)y 0.1693997E-13 GRAD(Rho)z -0.1828712E-13 Laplacian 0.5556653E-01 (-1/4)Del**2(Rho)) -0.1389163E-01 Diamond 0.1206957E-02 Metallicity 0.7967523E+00 Ellipticity -0.6027414E+00 Gb(Abramov) 0.1110579E-01 Vb(Abramov) -0.8319940E-02 Hb(Abramov) 0.2785846E-02 Ex_ueg -0.2063813E-02 Ec_ueg -0.4666761E-03 Delta_ex -0.2439709E-02 Delta_ec 0.1841485E-03 Delta_et -0.1795042E-02 Pxc 0.4422368E+01 Qxc -0.1324859E+02 3,+3 111 3 +1 1.208362 -2.142807 1.082483 Rho 0.2569659E-01 |GRAD(Rho)| 0.1561370E-14 GRAD(Rho)x 0.1119058E-14 GRAD(Rho)y -0.4215954E-15 GRAD(Rho)z -0.1003914E-14 Laplacian 0.1029304E+00 (-1/4)Del**2(Rho)) -0.2573260E-01 Diamond 0.1491668E-01 Metallicity 0.1498059E+01 Ellipticity -0.5432907E+01 Gb(Abramov) 0.2357989E-01 Vb(Abramov) -0.2142718E-01 Hb(Abramov) 0.2152710E-02 Ex_ueg -0.5600401E-02 Ec_ueg -0.1123850E-02 Delta_ex -0.6546852E-02 Delta_ec 0.1921502E-02 Delta_et -0.1703849E-01 Pxc 0.4983227E+01 Qxc -0.3407154E+01 3,+1 112 3 +1 0.370900 -1.756115 -0.681948 Rho 0.7333828E-02 |GRAD(Rho)| 0.1231512E-15 GRAD(Rho)x 0.6700878E-17 GRAD(Rho)y 0.7554009E-16 GRAD(Rho)z 0.9703101E-16 Laplacian 0.3006875E-01 (-1/4)Del**2(Rho)) -0.7517188E-02 Diamond 0.8781479E-03 Metallicity 0.6344279E+00 Ellipticity -0.1769426E+01 Gb(Abramov) 0.5806311E-02 Vb(Abramov) -0.4095434E-02 Hb(Abramov) 0.1710877E-02 Ex_ueg -0.1052348E-02 Ec_ueg -0.2486893E-03 Delta_ex -0.1448096E-02 Delta_ec 0.6522361E-03 Delta_et -0.4083890E-02 Pxc 0.4231577E+01 Qxc -0.2220202E+01 3,+1 113 3 +1 2.055351 -1.321267 1.047347 Rho 0.2432660E-01 |GRAD(Rho)| 0.3411578E-16 GRAD(Rho)x 0.2204994E-16 GRAD(Rho)y 0.1810430E-17 GRAD(Rho)z 0.2596939E-16 Laplacian 0.9593536E-01 (-1/4)Del**2(Rho)) -0.2398384E-01 Diamond 0.1263600E-01 Metallicity 0.1467023E+01 Ellipticity -0.4357547E+01 Gb(Abramov) 0.2185337E-01 Vb(Abramov) -0.1972290E-01 Hb(Abramov) 0.2130473E-02 Ex_ueg -0.5205875E-02 Ec_ueg -0.1054870E-02 Delta_ex -0.5985464E-02 Delta_ec 0.1738865E-02 Delta_et -0.1521906E-01 Pxc 0.4935087E+01 Qxc -0.3442167E+01 3,+1 114 3 +3 -0.108362 -2.399627 -0.072733 Rho 0.3973884E-02 |GRAD(Rho)| 0.4699494E-17 GRAD(Rho)x -0.2188733E-17 GRAD(Rho)y 0.1938011E-17 GRAD(Rho)z 0.3679511E-17 Laplacian 0.1633160E-01 (-1/4)Del**2(Rho)) -0.4082900E-02 Diamond 0.1199348E-03 Metallicity 0.4206715E+00 Ellipticity -0.2067909E+00 Gb(Abramov) 0.3008193E-02 Vb(Abramov) -0.1933486E-02 Hb(Abramov) 0.1074707E-02 Ex_ueg -0.4648775E-03 Ec_ueg -0.1030257E-03 Delta_ex -0.5758342E-03 Delta_ec 0.1543963E-03 Delta_et -0.9307397E-03 Pxc 0.4512250E+01 Qxc -0.3729584E+01 3,+3 115 3 -1 0.807543 -1.968928 2.990975 Rho 0.1415719E+00 |GRAD(Rho)| 0.1568815E-12 GRAD(Rho)x -0.3149987E-14 GRAD(Rho)y -0.1457596E-12 GRAD(Rho)z -0.5793121E-13 Laplacian 0.5674128E+00 (-1/4)Del**2(Rho)) -0.1418532E+00 Diamond 0.1074840E+01 Metallicity 0.4670274E+01 Ellipticity 0.3291823E-01 Gb(Abramov) 0.2049844E+00 Vb(Abramov) -0.2681155E+00 Hb(Abramov) -0.6313116E-01 Ex_ueg -0.5449472E-01 Ec_ueg -0.7906195E-02 Delta_ex -0.6010102E-01 Delta_ec 0.1464419E-01 Delta_et -0.1934134E+00 Pxc 0.6892660E+01 Qxc -0.4104085E+01 3,-1 116 3 +1 0.521452 1.691782 0.528079 Rho 0.7976931E-02 |GRAD(Rho)| 0.3885128E-17 GRAD(Rho)x 0.2019772E-17 GRAD(Rho)y 0.3003716E-17 GRAD(Rho)z -0.1411536E-17 Laplacian 0.3306986E-01 (-1/4)Del**2(Rho)) -0.8267465E-02 Diamond 0.8415420E-03 Metallicity 0.6636013E+00 Ellipticity -0.1406510E+01 Gb(Abramov) 0.6426027E-02 Vb(Abramov) -0.4584588E-02 Hb(Abramov) 0.1841438E-02 Ex_ueg -0.1177153E-02 Ec_ueg -0.2771891E-03 Delta_ex -0.1503647E-02 Delta_ec 0.5033419E-03 Delta_et -0.3342721E-02 Pxc 0.4246750E+01 Qxc -0.2987327E+01 3,+1 117 3 -1 1.808935 2.792605 0.588112 Rho 0.1469141E+00 |GRAD(Rho)| 0.1666159E-15 GRAD(Rho)x 0.1336821E-15 GRAD(Rho)y -0.4576011E-16 GRAD(Rho)z -0.8829471E-16 Laplacian 0.6204766E+00 (-1/4)Del**2(Rho)) -0.1551192E+00 Diamond 0.1226582E+01 Metallicity 0.4542834E+01 Ellipticity 0.1225758E-01 Gb(Abramov) 0.2208595E+00 Vb(Abramov) -0.2865999E+00 Hb(Abramov) -0.6574038E-01 Ex_ueg -0.5725363E-01 Ec_ueg -0.8246266E-02 Delta_ex -0.6629615E-01 Delta_ec 0.1582768E-01 Delta_et -0.2100893E+00 Pxc 0.6942977E+01 Qxc -0.4188621E+01 3,-1 118 3 +1 1.754892 1.771268 1.754077 Rho 0.1249541E-01 |GRAD(Rho)| 0.1790883E-16 GRAD(Rho)x 0.1362098E-16 GRAD(Rho)y 0.4640106E-17 GRAD(Rho)z -0.1066135E-16 Laplacian 0.6287619E-01 (-1/4)Del**2(Rho)) -0.1571905E-01 Diamond 0.2632763E-02 Metallicity 0.7374133E+00 Ellipticity -0.1247981E+01 Gb(Abramov) 0.1241127E-01 Vb(Abramov) -0.9103495E-02 Hb(Abramov) 0.3307777E-02 Ex_ueg -0.2141504E-02 Ec_ueg -0.4824868E-03 Delta_ex -0.3115509E-02 Delta_ec 0.8012366E-03 Delta_et -0.6078757E-02 Pxc 0.4438473E+01 Qxc -0.3888375E+01 3,+1 119 3 +1 1.663404 0.516501 0.547530 Rho 0.7600679E-02 |GRAD(Rho)| 0.6077359E-17 GRAD(Rho)x 0.6388586E-18 GRAD(Rho)y -0.2934254E-17 GRAD(Rho)z 0.5283588E-17 Laplacian 0.3109676E-01 (-1/4)Del**2(Rho)) -0.7774189E-02 Diamond 0.7493360E-03 Metallicity 0.6511065E+00 Ellipticity -0.1413306E+01 Gb(Abramov) 0.6026430E-02 Vb(Abramov) -0.4278671E-02 Hb(Abramov) 0.1747759E-02 Ex_ueg -0.1103710E-02 Ec_ueg -0.2604920E-03 Delta_ex -0.1401559E-02 Delta_ec 0.4811975E-03 Delta_et -0.3149061E-02 Pxc 0.4237020E+01 Qxc -0.2912648E+01 3,+1 120 3 -1 1.982252 2.956327 -0.830379 Rho 0.1459007E+00 |GRAD(Rho)| 0.3733969E-15 GRAD(Rho)x -0.1554746E-15 GRAD(Rho)y 0.3518236E-16 GRAD(Rho)z -0.3376612E-15 Laplacian 0.5810258E+00 (-1/4)Del**2(Rho)) -0.1452565E+00 Diamond 0.1142097E+01 Metallicity 0.4795644E+01 Ellipticity 0.3263802E-01 Gb(Abramov) 0.2129373E+00 Vb(Abramov) -0.2806182E+00 Hb(Abramov) -0.6768089E-01 Ex_ueg -0.5672769E-01 Ec_ueg -0.8181621E-02 Delta_ex -0.6200690E-01 Delta_ec 0.1490226E-01 Delta_et -0.1977327E+00 Pxc 0.6933551E+01 Qxc -0.4160906E+01 3,-1 121 3 +1 -0.232813 -2.245374 -1.068603 Rho 0.7421081E-02 |GRAD(Rho)| 0.1857078E-13 GRAD(Rho)x -0.9121864E-14 GRAD(Rho)y -0.1596644E-13 GRAD(Rho)z -0.2595837E-14 Laplacian 0.2997713E-01 (-1/4)Del**2(Rho)) -0.7494283E-02 Diamond 0.9166425E-03 Metallicity 0.6490354E+00 Ellipticity -0.1871565E+01 Gb(Abramov) 0.5806864E-02 Vb(Abramov) -0.4119446E-02 Hb(Abramov) 0.1687418E-02 Ex_ueg -0.1069074E-02 Ec_ueg -0.2525449E-03 Delta_ex -0.1462408E-02 Delta_ec 0.6767356E-03 Delta_et -0.4236978E-02 Pxc 0.4233206E+01 Qxc -0.2160974E+01 3,+1 122 3 -1 3.196063 3.204916 0.079215 Rho 0.2475844E+00 |GRAD(Rho)| 0.3493752E-14 GRAD(Rho)x -0.2604904E-14 GRAD(Rho)y -0.2273897E-14 GRAD(Rho)z -0.5001696E-15 Laplacian 0.8877293E+00 (-1/4)Del**2(Rho)) -0.2219323E+00 Diamond 0.3264475E+01 Metallicity 0.7577714E+01 Ellipticity 0.1041013E-02 Gb(Abramov) 0.4282448E+00 Vb(Abramov) -0.6345573E+00 Hb(Abramov) -0.2063125E+00 Ex_ueg -0.1148196E+00 Ec_ueg -0.1496498E-01 Delta_ex -0.1081580E+00 Delta_ec 0.1947493E-01 Delta_et -0.2702216E+00 Pxc 0.7672556E+01 Qxc -0.5553705E+01 3,-1 123 3 +3 -1.142257 1.102932 -1.121234 Rho 0.5190518E-02 |GRAD(Rho)| 0.5937135E-17 GRAD(Rho)x 0.4587515E-17 GRAD(Rho)y -0.1192071E-17 GRAD(Rho)z 0.3575366E-17 Laplacian 0.2142070E-01 (-1/4)Del**2(Rho)) -0.5355176E-02 Diamond 0.1652672E-03 Metallicity 0.5005690E+00 Ellipticity -0.2551099E+00 Gb(Abramov) 0.4016890E-02 Vb(Abramov) -0.2678604E-02 Hb(Abramov) 0.1338286E-02 Ex_ueg -0.6637420E-03 Ec_ueg -0.1551208E-03 Delta_ex -0.7547062E-03 Delta_ec 0.1066839E-03 Delta_et -0.8145141E-03 Pxc 0.4278873E+01 Qxc -0.7074226E+01 3,+3 124 3 -1 -2.010071 -3.076490 -0.715220 Rho 0.1545176E+00 |GRAD(Rho)| 0.1757522E-15 GRAD(Rho)x 0.1141258E-15 GRAD(Rho)y -0.4508926E-16 GRAD(Rho)z -0.1258217E-15 Laplacian 0.5814091E+00 (-1/4)Del**2(Rho)) -0.1453523E+00 Diamond 0.1249412E+01 Metallicity 0.5273445E+01 Ellipticity 0.1175483E+00 Gb(Abramov) 0.2246527E+00 Vb(Abramov) -0.3039532E+00 Hb(Abramov) -0.7930045E-01 Ex_ueg -0.6123817E-01 Ec_ueg -0.8733328E-02 Delta_ex -0.6316815E-01 Delta_ec 0.1512906E-01 Delta_et -0.2033858E+00 Pxc 0.7012009E+01 Qxc -0.4175287E+01 3,-1 125 3 -1 -1.867356 -2.753790 0.617392 Rho 0.1286646E+00 |GRAD(Rho)| 0.1141990E-15 GRAD(Rho)x 0.7991925E-16 GRAD(Rho)y 0.6336145E-16 GRAD(Rho)z -0.5137763E-16 Laplacian 0.5380491E+00 (-1/4)Del**2(Rho)) -0.1345123E+00 Diamond 0.9149985E+00 Metallicity 0.4199748E+01 Ellipticity 0.2153008E-01 Gb(Abramov) 0.1838278E+00 Vb(Abramov) -0.2331433E+00 Hb(Abramov) -0.4931552E-01 Ex_ueg -0.4797305E-01 Ec_ueg -0.7092078E-02 Delta_ex -0.5576432E-01 Delta_ec 0.1434892E-01 Delta_et -0.1869435E+00 Pxc 0.6764315E+01 Qxc -0.3886307E+01 3,-1 126 3 +1 0.440499 -0.792761 -1.775234 Rho 0.5451825E-02 |GRAD(Rho)| 0.2410345E-17 GRAD(Rho)x 0.4501815E-18 GRAD(Rho)y -0.2621269E-18 GRAD(Rho)z 0.2353378E-17 Laplacian 0.2260829E-01 (-1/4)Del**2(Rho)) -0.5652073E-02 Diamond 0.4982142E-03 Metallicity 0.5147328E+00 Ellipticity -0.1790580E+01 Gb(Abramov) 0.4252933E-02 Vb(Abramov) -0.2853793E-02 Hb(Abramov) 0.1399140E-02 Ex_ueg -0.7086648E-03 Ec_ueg -0.1664082E-03 Delta_ex -0.1065284E-02 Delta_ec 0.5729755E-03 Delta_et -0.3249153E-02 Pxc 0.4258594E+01 Qxc -0.1859214E+01 3,+1 127 3 +1 -0.319710 -1.103955 -2.568804 Rho 0.3600394E-02 |GRAD(Rho)| 0.1468128E-10 GRAD(Rho)x -0.1383123E-10 GRAD(Rho)y 0.1057910E-11 GRAD(Rho)z 0.4808089E-11 Laplacian 0.1434444E-01 (-1/4)Del**2(Rho)) -0.3586110E-02 Diamond 0.1457476E-03 Metallicity 0.4062995E+00 Ellipticity -0.1304298E+01 Gb(Abramov) 0.2633579E-02 Vb(Abramov) -0.1681048E-02 Hb(Abramov) 0.9525309E-03 Ex_ueg -0.4075540E-03 Ec_ueg -0.8718840E-04 Delta_ex -0.5705206E-03 Delta_ec 0.2732411E-03 Delta_et -0.1417958E-02 Pxc 0.4674406E+01 Qxc -0.2087975E+01 3,+1 128 3 +3 -2.389732 0.014651 0.054149 Rho 0.4883748E-02 |GRAD(Rho)| 0.5259369E-17 GRAD(Rho)x 0.4998983E-17 GRAD(Rho)y -0.1601303E-17 GRAD(Rho)z 0.3270484E-18 Laplacian 0.2043128E-01 (-1/4)Del**2(Rho)) -0.5107820E-02 Diamond 0.2098162E-03 Metallicity 0.4741398E+00 Ellipticity -0.4144510E+00 Gb(Abramov) 0.3808850E-02 Vb(Abramov) -0.2509880E-02 Hb(Abramov) 0.1298970E-02 Ex_ueg -0.6119596E-03 Ec_ueg -0.1419135E-03 Delta_ex -0.7699573E-03 Delta_ec 0.2125922E-03 Delta_et -0.1321026E-02 Pxc 0.4312203E+01 Qxc -0.3621757E+01 3,+3 129 3 -1 -1.798655 0.491773 -2.832099 Rho 0.1311692E+00 |GRAD(Rho)| 0.1971119E-15 GRAD(Rho)x -0.1347392E-15 GRAD(Rho)y -0.1307141E-15 GRAD(Rho)z 0.6010207E-16 Laplacian 0.5490091E+00 (-1/4)Del**2(Rho)) -0.1372523E+00 Diamond 0.9624134E+00 Metallicity 0.4250306E+01 Ellipticity 0.1497300E-01 Gb(Abramov) 0.1887289E+00 Vb(Abramov) -0.2402055E+00 Hb(Abramov) -0.5147660E-01 Ex_ueg -0.4922219E-01 Ec_ueg -0.7249204E-02 Delta_ex -0.5724669E-01 Delta_ec 0.1472100E-01 Delta_et -0.1926759E+00 Pxc 0.6790014E+01 Qxc -0.3888778E+01 3,-1 130 3 -1 -1.698440 0.495436 1.721063 Rho 0.4086825E-01 |GRAD(Rho)| 0.1146031E-15 GRAD(Rho)x -0.4847464E-16 GRAD(Rho)y -0.3862417E-16 GRAD(Rho)z 0.9639637E-16 Laplacian 0.1601796E+00 (-1/4)Del**2(Rho)) -0.4004490E-01 Diamond 0.6073007E-01 Metallicity 0.2086008E+01 Ellipticity 0.1216080E-01 Gb(Abramov) 0.4061894E-01 Vb(Abramov) -0.4119297E-01 Hb(Abramov) -0.5740331E-03 Ex_ueg -0.1039680E-01 Ec_ueg -0.1916699E-02 Delta_ex -0.1248042E-01 Delta_ec 0.4679109E-02 Delta_et -0.4675890E-01 Pxc 0.5424327E+01 Qxc -0.2667263E+01 3,-1 131 3 +1 -1.190399 1.188999 2.150124 Rho 0.2507007E-01 |GRAD(Rho)| 0.1536925E-16 GRAD(Rho)x 0.8834337E-17 GRAD(Rho)y -0.1782642E-17 GRAD(Rho)z -0.1244952E-16 Laplacian 0.9918842E-01 (-1/4)Del**2(Rho)) -0.2479711E-01 Diamond 0.1374132E-01 Metallicity 0.1491917E+01 Ellipticity -0.5001225E+01 Gb(Abramov) 0.2269727E-01 Vb(Abramov) -0.2059744E-01 Hb(Abramov) 0.2099831E-02 Ex_ueg -0.5419082E-02 Ec_ueg -0.1092243E-02 Delta_ex -0.6251338E-02 Delta_ec 0.1821953E-02 Delta_et -0.1606182E-01 Pxc 0.4961427E+01 Qxc -0.3431119E+01 3,+1 132 3 +3 -0.167039 -0.399982 -2.577071 Rho 0.3107905E-02 |GRAD(Rho)| 0.1533725E-11 GRAD(Rho)x -0.8181341E-12 GRAD(Rho)y 0.1248428E-11 GRAD(Rho)z -0.3527019E-12 Laplacian 0.1234107E-01 (-1/4)Del**2(Rho)) -0.3085267E-02 Diamond 0.9422271E-04 Metallicity 0.3695784E+00 Ellipticity -0.8304212E+00 Gb(Abramov) 0.2246886E-02 Vb(Abramov) -0.1408505E-02 Hb(Abramov) 0.8383809E-03 Ex_ueg -0.3349721E-03 Ec_ueg -0.6641963E-04 Delta_ex -0.4605156E-03 Delta_ec 0.2080065E-03 Delta_et -0.1053594E-02 Pxc 0.5043269E+01 Qxc -0.2213948E+01 3,+3 133 3 +1 0.521453 0.489293 1.677807 Rho 0.8496659E-02 |GRAD(Rho)| 0.8265332E-15 GRAD(Rho)x 0.1121105E-15 GRAD(Rho)y -0.6854073E-15 GRAD(Rho)z -0.4481130E-15 Laplacian 0.3570019E-01 (-1/4)Del**2(Rho)) -0.8925049E-02 Diamond 0.9916549E-03 Metallicity 0.6828986E+00 Ellipticity -0.1418244E+01 Gb(Abramov) 0.6965850E-02 Vb(Abramov) -0.5006651E-02 Hb(Abramov) 0.1959199E-02 Ex_ueg -0.1280509E-02 Ec_ueg -0.3003587E-03 Delta_ex -0.1649700E-02 Delta_ec 0.5447760E-03 Delta_et -0.3677372E-02 Pxc 0.4263265E+01 Qxc -0.3028218E+01 3,+1 134 3 -1 0.292104 0.327595 -0.382011 Rho 0.1990048E+00 |GRAD(Rho)| 0.9249406E-16 GRAD(Rho)x -0.2559211E-16 GRAD(Rho)y -0.4969782E-16 GRAD(Rho)z 0.7369071E-16 Laplacian 0.6830539E+00 (-1/4)Del**2(Rho)) -0.1707635E+00 Diamond 0.2161390E+01 Metallicity 0.6843279E+01 Ellipticity 0.3349695E-02 Gb(Abramov) 0.3086060E+00 Vb(Abramov) -0.4464485E+00 Hb(Abramov) -0.1378425E+00 Ex_ueg -0.8580974E-01 Ec_ueg -0.1165145E-01 Delta_ex -0.8021994E-01 Delta_ec 0.1875684E-01 Delta_et -0.2668478E+00 Pxc 0.7364728E+01 Qxc -0.4276837E+01 3,-1 135 3 +3 0.000309 -0.028930 2.333360 Rho 0.4507305E-02 |GRAD(Rho)| 0.3883340E-17 GRAD(Rho)x 0.9673341E-18 GRAD(Rho)y 0.8028065E-18 GRAD(Rho)z -0.3674247E-17 Laplacian 0.1870275E-01 (-1/4)Del**2(Rho)) -0.4675687E-02 Diamond 0.1596797E-03 Metallicity 0.4531438E+00 Ellipticity -0.2957859E+00 Gb(Abramov) 0.3470251E-02 Vb(Abramov) -0.2264815E-02 Hb(Abramov) 0.1205436E-02 Ex_ueg -0.5498881E-03 Ec_ueg -0.1257721E-03 Delta_ex -0.6773170E-03 Delta_ec 0.1706421E-03 Delta_et -0.1069099E-02 Pxc 0.4372098E+01 Qxc -0.3969224E+01 3,+3 136 3 +1 0.077911 -0.087799 2.946930 Rho 0.5304598E-02 |GRAD(Rho)| 0.6375902E-16 GRAD(Rho)x 0.5550378E-16 GRAD(Rho)y -0.3131384E-16 GRAD(Rho)z 0.1996453E-17 Laplacian 0.2177138E-01 (-1/4)Del**2(Rho)) -0.5442844E-02 Diamond 0.5763972E-03 Metallicity 0.5106792E+00 Ellipticity -0.4999627E+01 Gb(Abramov) 0.4091820E-02 Vb(Abramov) -0.2740797E-02 Hb(Abramov) 0.1351023E-02 Ex_ueg -0.6832638E-03 Ec_ueg -0.1600444E-03 Delta_ex -0.1117815E-02 Delta_ec 0.7264276E-03 Delta_et -0.3999350E-02 Pxc 0.4269215E+01 Qxc -0.1538783E+01 3,+1 137 3 -1 1.149749 -1.779739 -2.597594 Rho 0.3057249E+00 |GRAD(Rho)| 0.1520818E-14 GRAD(Rho)x -0.3260906E-15 GRAD(Rho)y 0.1485387E-14 GRAD(Rho)z 0.1330985E-16 Laplacian -0.1527025E+01 (-1/4)Del**2(Rho)) 0.3817562E+00 Diamond 0.5175974E+01 Metallicity -0.6261116E+01 Ellipticity 0.3219350E-02 Gb(Abramov) 0.1438658E+00 Vb(Abramov) -0.6694879E+00 Hb(Abramov) -0.5256220E+00 Ex_ueg -0.1521106E+00 Ec_ueg -0.1910093E-01 Delta_ex 0.1488828E+00 Delta_ec 0.5413566E-01 Delta_et -0.1258136E+01 Pxc 0.7963518E+01 Qxc 0.2750179E+01 3,-1 138 3 -1 -0.212956 -1.312147 -3.366779 Rho 0.5500185E-02 |GRAD(Rho)| 0.9519909E-17 GRAD(Rho)x 0.8986967E-17 GRAD(Rho)y 0.4245753E-19 GRAD(Rho)z 0.3140269E-17 Laplacian 0.2157350E-01 (-1/4)Del**2(Rho)) -0.5393375E-02 Diamond 0.8584762E-03 Metallicity 0.5474210E+00 Ellipticity 0.7498604E-01 Gb(Abramov) 0.4087657E-02 Vb(Abramov) -0.2781940E-02 Hb(Abramov) 0.1305717E-02 Ex_ueg -0.7170589E-03 Ec_ueg -0.1685009E-03 Delta_ex -0.1326996E-02 Delta_ec 0.1097701E-02 Delta_et -0.5967257E-02 Pxc 0.4255519E+01 Qxc -0.1208887E+01 3,-1 139 3 +3 0.945404 -1.131880 -1.244100 Rho 0.4216848E-02 |GRAD(Rho)| 0.1116349E-16 GRAD(Rho)x 0.5491166E-17 GRAD(Rho)y -0.3633900E-17 GRAD(Rho)z -0.9014733E-17 Laplacian 0.1735697E-01 (-1/4)Del**2(Rho)) -0.4339243E-02 Diamond 0.1347299E-03 Metallicity 0.4369709E+00 Ellipticity -0.5081209E+00 Gb(Abramov) 0.3208849E-02 Vb(Abramov) -0.2078455E-02 Hb(Abramov) 0.1130394E-02 Ex_ueg -0.5031557E-03 Ec_ueg -0.1133679E-03 Delta_ex -0.6172377E-03 Delta_ec 0.1569990E-03 Delta_et -0.9699402E-03 Pxc 0.4438257E+01 Qxc -0.3931475E+01 3,+3 140 3 -1 1.601745 -1.734610 0.426561 Rho 0.3952603E-01 |GRAD(Rho)| 0.1845714E-15 GRAD(Rho)x 0.1272980E-15 GRAD(Rho)y -0.1241699E-15 GRAD(Rho)z -0.4943327E-16 Laplacian 0.1541543E+00 (-1/4)Del**2(Rho)) -0.3853857E-01 Diamond 0.5623108E-01 Metallicity 0.2050200E+01 Ellipticity 0.8648329E-02 Gb(Abramov) 0.3886101E-01 Vb(Abramov) -0.3918345E-01 Hb(Abramov) -0.3224409E-03 Ex_ueg -0.9944036E-02 Ec_ueg -0.1844668E-02 Delta_ex -0.1193398E-01 Delta_ec 0.4544169E-02 Delta_et -0.4501015E-01 Pxc 0.5390691E+01 Qxc -0.2626218E+01 3,-1 141 3 +1 -0.643719 -1.680939 0.548081 Rho 0.8851707E-02 |GRAD(Rho)| 0.5653983E-17 GRAD(Rho)x 0.5073410E-17 GRAD(Rho)y -0.2464866E-17 GRAD(Rho)z 0.3904822E-18 Laplacian 0.3672057E-01 (-1/4)Del**2(Rho)) -0.9180142E-02 Diamond 0.1072727E-02 Metallicity 0.7108022E+00 Ellipticity -0.1442382E+01 Gb(Abramov) 0.7207639E-02 Vb(Abramov) -0.5235136E-02 Hb(Abramov) 0.1972503E-02 Ex_ueg -0.1352346E-02 Ec_ueg -0.3162562E-03 Delta_ex -0.1711800E-02 Delta_ec 0.5559067E-03 Delta_et -0.3796310E-02 Pxc 0.4276109E+01 Qxc -0.3079293E+01 3,+1 142 3 -1 -2.102230 -0.901010 -3.224183 Rho 0.2355362E+00 |GRAD(Rho)| 0.7029644E-15 GRAD(Rho)x 0.4228931E-15 GRAD(Rho)y -0.5552199E-15 GRAD(Rho)z -0.8397146E-16 Laplacian 0.9048188E+00 (-1/4)Del**2(Rho)) -0.2262047E+00 Diamond 0.3085472E+01 Metallicity 0.6841442E+01 Ellipticity 0.1895757E-01 Gb(Abramov) 0.4087308E+00 Vb(Abramov) -0.5912570E+00 Hb(Abramov) -0.1825261E+00 Ex_ueg -0.1074307E+00 Ec_ueg -0.1413109E-01 Delta_ex -0.1085510E+00 Delta_ec 0.1967913E-01 Delta_et -0.2705918E+00 Pxc 0.7602439E+01 Qxc -0.5516046E+01 3,-1 143 3 +1 -2.192928 -1.127325 -1.287610 Rho 0.2746180E-01 |GRAD(Rho)| 0.3846078E-16 GRAD(Rho)x -0.2354198E-16 GRAD(Rho)y -0.9494568E-17 GRAD(Rho)z -0.2889394E-16 Laplacian 0.1130343E+00 (-1/4)Del**2(Rho)) -0.2825858E-01 Diamond 0.1779457E-01 Metallicity 0.1523882E+01 Ellipticity -0.4849926E+01 Gb(Abramov) 0.2601617E-01 Vb(Abramov) -0.2377377E-01 Hb(Abramov) 0.2242404E-02 Ex_ueg -0.6119141E-02 Ec_ueg -0.1213443E-02 Delta_ex -0.7302164E-02 Delta_ec 0.2083991E-02 Delta_et -0.1879301E-01 Pxc 0.5042791E+01 Qxc -0.3503933E+01 3,+1 144 3 -1 -1.730766 -0.556055 -1.741968 Rho 0.4466929E-01 |GRAD(Rho)| 0.9132150E-16 GRAD(Rho)x -0.7311377E-16 GRAD(Rho)y 0.1547095E-16 GRAD(Rho)z -0.5248470E-16 Laplacian 0.1783206E+00 (-1/4)Del**2(Rho)) -0.4458016E-01 Diamond 0.7917363E-01 Metallicity 0.2173168E+01 Ellipticity 0.1341561E-01 Gb(Abramov) 0.4586680E-01 Vb(Abramov) -0.4715344E-01 Hb(Abramov) -0.1286644E-02 Ex_ueg -0.1170569E-01 Ec_ueg -0.2122403E-02 Delta_ex -0.1435018E-01 Delta_ec 0.5462770E-02 Delta_et -0.5594669E-01 Pxc 0.5515303E+01 Qxc -0.2626905E+01 3,-1 145 3 -1 -1.813224 -0.558664 2.829746 Rho 0.1484044E+00 |GRAD(Rho)| 0.7023785E-15 GRAD(Rho)x -0.4928241E-15 GRAD(Rho)y 0.4597153E-15 GRAD(Rho)z -0.1977924E-15 Laplacian 0.6258036E+00 (-1/4)Del**2(Rho)) -0.1564509E+00 Diamond 0.1250308E+01 Metallicity 0.4580570E+01 Ellipticity 0.1446981E-01 Gb(Abramov) 0.2237397E+00 Vb(Abramov) -0.2910284E+00 Hb(Abramov) -0.6728875E-01 Ex_ueg -0.5802929E-01 Ec_ueg -0.8341448E-02 Delta_ex -0.6701195E-01 Delta_ec 0.1588964E-01 Delta_et -0.2111365E+00 Pxc 0.6956740E+01 Qxc -0.4217335E+01 3,-1 146 3 -1 -0.418344 0.341534 0.360093 Rho 0.1958221E+00 |GRAD(Rho)| 0.6471801E-13 GRAD(Rho)x 0.3665585E-13 GRAD(Rho)y -0.3737832E-13 GRAD(Rho)z -0.3804775E-13 Laplacian 0.6571502E+00 (-1/4)Del**2(Rho)) -0.1642875E+00 Diamond 0.2038803E+01 Metallicity 0.6924442E+01 Ellipticity 0.3007749E-02 Gb(Abramov) 0.2991250E+00 Vb(Abramov) -0.4339624E+00 Hb(Abramov) -0.1348374E+00 Ex_ueg -0.8398481E-01 Ec_ueg -0.1143892E-01 Delta_ex -0.7686539E-01 Delta_ec 0.1810997E-01 Delta_et -0.2570713E+00 Pxc 0.7342023E+01 Qxc -0.4244368E+01 3,-1 147 3 -1 0.562229 1.804106 2.767260 Rho 0.1450627E+00 |GRAD(Rho)| 0.3456982E-15 GRAD(Rho)x -0.3876023E-17 GRAD(Rho)y -0.3456572E-15 GRAD(Rho)z -0.3645630E-17 Laplacian 0.6103799E+00 (-1/4)Del**2(Rho)) -0.1525950E+00 Diamond 0.1186345E+01 Metallicity 0.4521398E+01 Ellipticity 0.1125883E-01 Gb(Abramov) 0.2167204E+00 Vb(Abramov) -0.2808459E+00 Hb(Abramov) -0.6412545E-01 Ex_ueg -0.5629367E-01 Ec_ueg -0.8128211E-02 Delta_ex -0.6499389E-01 Delta_ec 0.1558099E-01 Delta_et -0.2063549E+00 Pxc 0.6925715E+01 Qxc -0.4171358E+01 3,-1 148 3 -1 0.446790 1.640980 -1.674244 Rho 0.4513551E-01 |GRAD(Rho)| 0.1062600E-15 GRAD(Rho)x 0.3583394E-16 GRAD(Rho)y -0.3056518E-17 GRAD(Rho)z 0.9998885E-16 Laplacian 0.1786889E+00 (-1/4)Del**2(Rho)) -0.4467222E-01 Diamond 0.7842488E-01 Metallicity 0.2206545E+01 Ellipticity 0.1110572E-01 Gb(Abramov) 0.4621003E-01 Vb(Abramov) -0.4774784E-01 Hb(Abramov) -0.1537807E-02 Ex_ueg -0.1186887E-01 Ec_ueg -0.2147802E-02 Delta_ex -0.1431619E-01 Delta_ec 0.5293752E-02 Delta_et -0.5433103E-01 Pxc 0.5526057E+01 Qxc -0.2704356E+01 3,-1 149 3 +1 1.303982 1.013415 -2.099326 Rho 0.2513915E-01 |GRAD(Rho)| 0.3238333E-16 GRAD(Rho)x -0.8301124E-17 GRAD(Rho)y 0.8346359E-17 GRAD(Rho)z -0.3016802E-16 Laplacian 0.9954524E-01 (-1/4)Del**2(Rho)) -0.2488631E-01 Diamond 0.1367630E-01 Metallicity 0.1493403E+01 Ellipticity -0.4559548E+01 Gb(Abramov) 0.2278509E-01 Vb(Abramov) -0.2068386E-01 Hb(Abramov) 0.2101223E-02 Ex_ueg -0.5439001E-02 Ec_ueg -0.1095723E-02 Delta_ex -0.6260411E-02 Delta_ec 0.1796421E-02 Delta_et -0.1585443E-01 Pxc 0.4963848E+01 Qxc -0.3484936E+01 3,+1 150 3 -1 0.839457 1.931510 -2.946481 Rho 0.1321000E+00 |GRAD(Rho)| 0.4399095E-15 GRAD(Rho)x 0.2392157E-15 GRAD(Rho)y -0.2030846E-15 GRAD(Rho)z -0.3083064E-15 Laplacian 0.5248092E+00 (-1/4)Del**2(Rho)) -0.1312023E+00 Diamond 0.9150151E+00 Metallicity 0.4499007E+01 Ellipticity 0.2991545E-01 Gb(Abramov) 0.1858482E+00 Vb(Abramov) -0.2404941E+00 Hb(Abramov) -0.5464591E-01 Ex_ueg -0.4968847E-01 Ec_ueg -0.7307705E-02 Delta_ex -0.5466502E-01 Delta_ec 0.1377830E-01 Delta_et -0.1800435E+00 Pxc 0.6799464E+01 Qxc -0.3967473E+01 3,-1 151 3 -1 1.951947 -0.849795 2.981189 Rho 0.1431349E+00 |GRAD(Rho)| 0.1941106E-12 GRAD(Rho)x 0.1194084E-12 GRAD(Rho)y 0.1289537E-12 GRAD(Rho)z -0.8241071E-13 Laplacian 0.5683344E+00 (-1/4)Del**2(Rho)) -0.1420836E+00 Diamond 0.1094324E+01 Metallicity 0.4748815E+01 Ellipticity 0.2798342E-01 Gb(Abramov) 0.2071772E+00 Vb(Abramov) -0.2722708E+00 Hb(Abramov) -0.6509359E-01 Ex_ueg -0.5529840E-01 Ec_ueg -0.8005509E-02 Delta_ex -0.6039662E-01 Delta_ec 0.1469387E-01 Delta_et -0.1945264E+00 Pxc 0.6907543E+01 Qxc -0.4110327E+01 3,-1 152 3 -1 1.931914 -0.625061 -2.829224 Rho 0.1579757E+00 |GRAD(Rho)| 0.6974069E-15 GRAD(Rho)x 0.1917140E-15 GRAD(Rho)y 0.6697117E-15 GRAD(Rho)z 0.3329178E-16 Laplacian 0.6041565E+00 (-1/4)Del**2(Rho)) -0.1510391E+00 Diamond 0.1326875E+01 Metallicity 0.5265594E+01 Ellipticity 0.1129329E+00 Gb(Abramov) 0.2332445E+00 Vb(Abramov) -0.3154500E+00 Hb(Abramov) -0.8220542E-01 Ex_ueg -0.6307230E-01 Ec_ueg -0.8956011E-02 Delta_ex -0.6593779E-01 Delta_ec 0.1552893E-01 Delta_et -0.2091553E+00 Pxc 0.7042454E+01 Qxc -0.4246126E+01 3,-1 153 3 +3 2.303682 -0.008089 0.021308 Rho 0.4118142E-02 |GRAD(Rho)| 0.5598363E-17 GRAD(Rho)x -0.5411244E-17 GRAD(Rho)y 0.7022230E-18 GRAD(Rho)z -0.1251795E-17 Laplacian 0.1701950E-01 (-1/4)Del**2(Rho)) -0.4254875E-02 Diamond 0.1274846E-03 Metallicity 0.4283858E+00 Ellipticity -0.2901918E+00 Gb(Abramov) 0.3140372E-02 Vb(Abramov) -0.2025868E-02 Hb(Abramov) 0.1114504E-02 Ex_ueg -0.4875136E-03 Ec_ueg -0.1091625E-03 Delta_ex -0.6010638E-03 Delta_ec 0.1529794E-03 Delta_et -0.9411179E-03 Pxc 0.4465945E+01 Qxc -0.3929052E+01 3,+3 154 3 -1 1.654620 -0.530139 1.668243 Rho 0.3575867E-01 |GRAD(Rho)| 0.8023167E-16 GRAD(Rho)x -0.7194634E-16 GRAD(Rho)y -0.2731464E-16 GRAD(Rho)z -0.2268820E-16 Laplacian 0.1387530E+00 (-1/4)Del**2(Rho)) -0.3468825E-01 Diamond 0.4335124E-01 Metallicity 0.1927553E+01 Ellipticity 0.4086900E-01 Gb(Abramov) 0.3426940E-01 Vb(Abramov) -0.3385056E-01 Hb(Abramov) 0.4188419E-03 Ex_ueg -0.8700820E-02 Ec_ueg -0.1644295E-02 Delta_ex -0.1042399E-01 Delta_ec 0.3994507E-02 Delta_et -0.3850221E-01 Pxc 0.5291518E+01 Qxc -0.2609582E+01 3,-1 155 3 -1 2.826166 -0.580162 -1.805721 Rho 0.1429181E+00 |GRAD(Rho)| 0.9810908E-16 GRAD(Rho)x -0.6736284E-16 GRAD(Rho)y 0.5686640E-16 GRAD(Rho)z -0.4305638E-16 Laplacian 0.5907091E+00 (-1/4)Del**2(Rho)) -0.1476773E+00 Diamond 0.1132407E+01 Metallicity 0.4557411E+01 Ellipticity 0.1528796E-01 Gb(Abramov) 0.2106225E+00 Vb(Abramov) -0.2735678E+00 Hb(Abramov) -0.6294524E-01 Ex_ueg -0.5518673E-01 Ec_ueg -0.7991722E-02 Delta_ex -0.6272003E-01 Delta_ec 0.1522242E-01 Delta_et -0.2013597E+00 Pxc 0.6905487E+01 Qxc -0.4120240E+01 3,-1 156 3 -1 2.945574 -0.862593 1.969392 Rho 0.1702302E+00 |GRAD(Rho)| 0.3424389E-12 GRAD(Rho)x -0.1077345E-12 GRAD(Rho)y 0.2496666E-12 GRAD(Rho)z 0.2081448E-12 Laplacian 0.6727535E+00 (-1/4)Del**2(Rho)) -0.1681884E+00 Diamond 0.1581688E+01 Metallicity 0.5355726E+01 Ellipticity 0.4947070E-01 Gb(Abramov) 0.2622540E+00 Vb(Abramov) -0.3563197E+00 Hb(Abramov) -0.9406567E-01 Ex_ueg -0.6967879E-01 Ec_ueg -0.9750880E-02 Delta_ex -0.7450375E-01 Delta_ec 0.1645046E-01 Delta_et -0.2223357E+00 Pxc 0.7145898E+01 Qxc -0.4528975E+01 3,-1 157 3 -1 1.690798 0.468304 -1.701806 Rho 0.3433213E-01 |GRAD(Rho)| 0.6233669E-16 GRAD(Rho)x 0.6141328E-16 GRAD(Rho)y 0.8934821E-17 GRAD(Rho)z -0.5868668E-17 Laplacian 0.1323287E+00 (-1/4)Del**2(Rho)) -0.3308217E-01 Diamond 0.3903673E-01 Metallicity 0.1888544E+01 Ellipticity 0.3353016E-01 Gb(Abramov) 0.3246763E-01 Vb(Abramov) -0.3185310E-01 Hb(Abramov) 0.6145364E-03 Ex_ueg -0.8241116E-02 Ec_ueg -0.1569153E-02 Delta_ex -0.9836169E-02 Delta_ec 0.3800357E-02 Delta_et -0.3622773E-01 Pxc 0.5251953E+01 Qxc -0.2588222E+01 3,-1 158 3 +3 1.827500 1.780188 -1.798985 Rho 0.1211603E-01 |GRAD(Rho)| 0.7537178E-17 GRAD(Rho)x 0.2123347E-17 GRAD(Rho)y -0.5026813E-17 GRAD(Rho)z -0.5199192E-17 Laplacian 0.5546352E-01 (-1/4)Del**2(Rho)) -0.1386588E-01 Diamond 0.1161476E-02 Metallicity 0.7940959E+00 Ellipticity -0.6108367E+00 Gb(Abramov) 0.1107906E-01 Vb(Abramov) -0.8292239E-02 Hb(Abramov) 0.2786820E-02 Ex_ueg -0.2055254E-02 Ec_ueg -0.4649280E-03 Delta_ex -0.2422101E-02 Delta_ec 0.1644624E-03 Delta_et -0.1660750E-02 Pxc 0.4420586E+01 Qxc -0.1472738E+02 3,+3 159 3 -1 3.287444 -0.020176 -3.190398 Rho 0.2462952E+00 |GRAD(Rho)| 0.4311793E-14 GRAD(Rho)x -0.3490806E-14 GRAD(Rho)y 0.2530894E-14 GRAD(Rho)z -0.2016616E-16 Laplacian 0.8827924E+00 (-1/4)Del**2(Rho)) -0.2206981E+00 Diamond 0.3224605E+01 Metallicity 0.7554073E+01 Ellipticity 0.2377408E-02 Gb(Abramov) 0.4249937E+00 Vb(Abramov) -0.6292892E+00 Hb(Abramov) -0.2042956E+00 Ex_ueg -0.1140231E+00 Ec_ueg -0.1487537E-01 Delta_ex -0.1074025E+00 Delta_ec 0.1938439E-01 Delta_et -0.2688696E+00 Pxc 0.7665232E+01 Qxc -0.5540667E+01 3,-1 160 3 -1 3.191897 0.022896 3.189539 Rho 0.2461789E+00 |GRAD(Rho)| 0.2767875E-15 GRAD(Rho)x 0.1224064E-15 GRAD(Rho)y 0.4716279E-16 GRAD(Rho)z -0.2437286E-15 Laplacian 0.8855989E+00 (-1/4)Del**2(Rho)) -0.2213997E+00 Diamond 0.3232831E+01 Metallicity 0.7524208E+01 Ellipticity 0.4871351E-02 Gb(Abramov) 0.4252428E+00 Vb(Abramov) -0.6290858E+00 Hb(Abramov) -0.2038430E+00 Ex_ueg -0.1139514E+00 Ec_ueg -0.1486729E-01 Delta_ex -0.1077296E+00 Delta_ec 0.1944706E-01 Delta_et -0.2697274E+00 Pxc 0.7664569E+01 Qxc -0.5539636E+01 3,-1 161 3 -1 -3.222465 3.154533 -0.071137 Rho 0.2428912E+00 |GRAD(Rho)| 0.6522308E-15 GRAD(Rho)x 0.2915420E-15 GRAD(Rho)y -0.5828671E-15 GRAD(Rho)z 0.2596664E-16 Laplacian 0.8840559E+00 (-1/4)Del**2(Rho)) -0.2210140E+00 Diamond 0.3165168E+01 Metallicity 0.7370323E+01 Ellipticity 0.8857962E-02 Gb(Abramov) 0.4188334E+00 Vb(Abramov) -0.6166528E+00 Hb(Abramov) -0.1978194E+00 Ex_ueg -0.1119268E+00 Ec_ueg -0.1463921E-01 Delta_ex -0.1071107E+00 Delta_ec 0.1939578E-01 Delta_et -0.2684812E+00 Pxc 0.7645690E+01 Qxc -0.5522371E+01 3,-1 162 3 -1 -2.797118 1.774565 -0.553930 Rho 0.1913005E+00 |GRAD(Rho)| 0.4709466E-15 GRAD(Rho)x 0.2799681E-15 GRAD(Rho)y 0.2822178E-15 GRAD(Rho)z 0.2525107E-15 Laplacian 0.7851478E+00 (-1/4)Del**2(Rho)) -0.1962869E+00 Diamond 0.2097233E+01 Metallicity 0.5574278E+01 Ellipticity 0.2010075E-01 Gb(Abramov) 0.3132176E+00 Vb(Abramov) -0.4301483E+00 Hb(Abramov) -0.1169307E+00 Ex_ueg -0.8140915E-01 Ec_ueg -0.1113796E-01 Delta_ex -0.8935524E-01 Delta_ec 0.1827609E-01 Delta_et -0.2488895E+00 Pxc 0.7309159E+01 Qxc -0.4889189E+01 3,-1 163 3 -1 -2.979446 0.862624 2.035409 Rho 0.1442335E+00 |GRAD(Rho)| 0.2188886E-15 GRAD(Rho)x 0.1571687E-15 GRAD(Rho)y -0.2061339E-16 GRAD(Rho)z 0.1509480E-15 Laplacian 0.5763719E+00 (-1/4)Del**2(Rho)) -0.1440930E+00 Diamond 0.1114338E+01 Metallicity 0.4742645E+01 Ellipticity 0.4137062E-01 Gb(Abramov) 0.2099590E+00 Vb(Abramov) -0.2758249E+00 Hb(Abramov) -0.6586597E-01 Ex_ueg -0.5586501E-01 Ec_ueg -0.8075403E-02 Delta_ex -0.6130531E-01 Delta_ec 0.1476699E-01 Delta_et -0.1954848E+00 Pxc 0.6917923E+01 Qxc -0.4151511E+01 3,-1 164 3 -1 -2.993533 1.966796 0.873634 Rho 0.1379438E+00 |GRAD(Rho)| 0.7228556E-16 GRAD(Rho)x -0.4129455E-16 GRAD(Rho)y -0.1320016E-16 GRAD(Rho)z -0.5784219E-16 Laplacian 0.5424770E+00 (-1/4)Del**2(Rho)) -0.1356192E+00 Diamond 0.1002310E+01 Metallicity 0.4678096E+01 Ellipticity 0.2676776E-01 Gb(Abramov) 0.1961528E+00 Vb(Abramov) -0.2566863E+00 Hb(Abramov) -0.6053355E-01 Ex_ueg -0.5264068E-01 Ec_ueg -0.7676272E-02 Delta_ex -0.5716763E-01 Delta_ec 0.1421375E-01 Delta_et -0.1872441E+00 Pxc 0.6857585E+01 Qxc -0.4021994E+01 3,-1 165 3 -1 0.286612 -0.401858 0.339149 Rho 0.1987258E+00 |GRAD(Rho)| 0.4308999E-15 GRAD(Rho)x 0.2255470E-15 GRAD(Rho)y -0.2954391E-15 GRAD(Rho)z 0.2179885E-15 Laplacian 0.6796974E+00 (-1/4)Del**2(Rho)) -0.1699244E+00 Diamond 0.2151143E+01 Metallicity 0.6861011E+01 Ellipticity 0.1965076E-02 Gb(Abramov) 0.3075917E+00 Vb(Abramov) -0.4452591E+00 Hb(Abramov) -0.1376674E+00 Ex_ueg -0.8564937E-01 Ec_ueg -0.1163279E-01 Delta_ex -0.7982537E-01 Delta_ec 0.1872014E-01 Delta_et -0.2664200E+00 Pxc 0.7362752E+01 Qxc -0.4264143E+01 3,-1 166 3 -1 0.834637 2.928857 -1.959929 Rho 0.1369182E+00 |GRAD(Rho)| 0.2571051E-15 GRAD(Rho)x -0.2275334E-15 GRAD(Rho)y -0.4525189E-16 GRAD(Rho)z -0.1108326E-15 Laplacian 0.5480782E+00 (-1/4)Del**2(Rho)) -0.1370196E+00 Diamond 0.9986115E+00 Metallicity 0.4573051E+01 Ellipticity 0.3057973E-01 Gb(Abramov) 0.1957793E+00 Vb(Abramov) -0.2545390E+00 Hb(Abramov) -0.5875971E-01 Ex_ueg -0.5211948E-01 Ec_ueg -0.7611426E-02 Delta_ex -0.5759719E-01 Delta_ec 0.1428576E-01 Delta_et -0.1877729E+00 Pxc 0.6847531E+01 Qxc -0.4031790E+01 3,-1 167 3 -1 1.910535 -3.000393 0.806998 Rho 0.1322367E+00 |GRAD(Rho)| 0.4736405E-12 GRAD(Rho)x -0.2383220E-12 GRAD(Rho)y -0.1792154E-12 GRAD(Rho)z 0.3679943E-12 Laplacian 0.5207344E+00 (-1/4)Del**2(Rho)) -0.1301836E+00 Diamond 0.9173536E+00 Metallicity 0.4542032E+01 Ellipticity 0.2172469E-01 Gb(Abramov) 0.1853387E+00 Vb(Abramov) -0.2404939E+00 Hb(Abramov) -0.5515514E-01 Ex_ueg -0.4975702E-01 Ec_ueg -0.7316298E-02 Delta_ex -0.5435211E-01 Delta_ec 0.1384287E-01 Delta_et -0.1812508E+00 Pxc 0.6800847E+01 Qxc -0.3926362E+01 3,-1 168 3 -1 1.744770 -2.840041 -0.641710 Rho 0.2044565E+00 |GRAD(Rho)| 0.2529725E-11 GRAD(Rho)x -0.1914649E-11 GRAD(Rho)y -0.3980315E-12 GRAD(Rho)z -0.1604743E-11 Laplacian 0.7974715E+00 (-1/4)Del**2(Rho)) -0.1993679E+00 Diamond 0.2308885E+01 Metallicity 0.6131494E+01 Ellipticity 0.4248346E-02 Gb(Abramov) 0.3366491E+00 Vb(Abramov) -0.4739303E+00 Hb(Abramov) -0.1372812E+00 Ex_ueg -0.8895828E-01 Ec_ueg -0.1201680E-01 Delta_ex -0.9232450E-01 Delta_ec 0.1824378E-01 Delta_et -0.2497926E+00 Pxc 0.7402825E+01 Qxc -0.5060601E+01 3,-1 169 3 -1 -2.812081 -1.779846 0.596888 Rho 0.1364856E+00 |GRAD(Rho)| 0.2112453E-12 GRAD(Rho)x 0.7096117E-14 GRAD(Rho)y -0.1491789E-12 GRAD(Rho)z -0.1493984E-12 Laplacian 0.5739229E+00 (-1/4)Del**2(Rho)) -0.1434807E+00 Diamond 0.1041029E+01 Metallicity 0.4344143E+01 Ellipticity 0.1033527E-01 Gb(Abramov) 0.1995373E+00 Vb(Abramov) -0.2555938E+00 Hb(Abramov) -0.5605656E-01 Ex_ueg -0.5190000E-01 Ec_ueg -0.7584091E-02 Delta_ex -0.6025897E-01 Delta_ec 0.1495666E-01 Delta_et -0.1964662E+00 Pxc 0.6843272E+01 Qxc -0.4028906E+01 3,-1 170 3 -1 -2.761904 0.493124 -1.838905 Rho 0.7762578E-01 |GRAD(Rho)| 0.1709579E-15 GRAD(Rho)x -0.1403195E-16 GRAD(Rho)y 0.7624144E-16 GRAD(Rho)z 0.1523711E-15 Laplacian 0.3272893E+00 (-1/4)Del**2(Rho)) -0.8182233E-01 Diamond 0.3002656E+00 Metallicity 0.2974117E+01 Ellipticity 0.9765621E-02 Gb(Abramov) 0.9510641E-01 Vb(Abramov) -0.1083905E+00 Hb(Abramov) -0.1328408E-01 Ex_ueg -0.2445643E-01 Ec_ueg -0.3990998E-02 Delta_ex -0.3011324E-01 Delta_ec 0.9656484E-02 Delta_et -0.1136706E+00 Pxc 0.6127898E+01 Qxc -0.3118447E+01 3,-1 171 3 -1 -0.623643 -2.767630 1.853613 Rho 0.1553895E+00 |GRAD(Rho)| 0.1646981E-14 GRAD(Rho)x 0.9763241E-15 GRAD(Rho)y 0.8869451E-16 GRAD(Rho)z 0.1323431E-14 Laplacian 0.6579850E+00 (-1/4)Del**2(Rho)) -0.1644962E+00 Diamond 0.1388210E+01 Metallicity 0.4703631E+01 Ellipticity 0.2265558E-01 Gb(Abramov) 0.2386191E+00 Vb(Abramov) -0.3127420E+00 Hb(Abramov) -0.7412286E-01 Ex_ueg -0.6169935E-01 Ec_ueg -0.8789407E-02 Delta_ex -0.7125067E-01 Delta_ec 0.1649814E-01 Delta_et -0.2205588E+00 Pxc 0.7019740E+01 Qxc -0.4318710E+01 3,-1 172 3 -1 -0.591054 -1.797231 2.814859 Rho 0.1353525E+00 |GRAD(Rho)| 0.6623952E-14 GRAD(Rho)x 0.4364375E-14 GRAD(Rho)y -0.4866225E-14 GRAD(Rho)z -0.1071835E-14 Laplacian 0.5641813E+00 (-1/4)Del**2(Rho)) -0.1410453E+00 Diamond 0.1015008E+01 Metallicity 0.4358179E+01 Ellipticity 0.1032110E-01 Gb(Abramov) 0.1964803E+00 Vb(Abramov) -0.2519154E+00 Hb(Abramov) -0.5543502E-01 Ex_ueg -0.5132633E-01 Ec_ueg -0.7512564E-02 Delta_ex -0.5913768E-01 Delta_ec 0.1477005E-01 Delta_et -0.1938368E+00 Pxc 0.6832065E+01 Qxc -0.4003891E+01 3,-1 173 3 -1 3.006874 0.831379 -1.956787 Rho 0.1365788E+00 |GRAD(Rho)| 0.4319269E-15 GRAD(Rho)x 0.1906027E-15 GRAD(Rho)y 0.3785085E-15 GRAD(Rho)z 0.8344291E-16 Laplacian 0.5581022E+00 (-1/4)Del**2(Rho)) -0.1395255E+00 Diamond 0.1011901E+01 Metallicity 0.4472374E+01 Ellipticity 0.2249480E-01 Gb(Abramov) 0.1970188E+00 Vb(Abramov) -0.2545120E+00 Hb(Abramov) -0.5749323E-01 Ex_ueg -0.5194726E-01 Ec_ueg -0.7589979E-02 Delta_ex -0.5859334E-01 Delta_ec 0.1451654E-01 Delta_et -0.1906543E+00 Pxc 0.6844191E+01 Qxc -0.4036315E+01 3,-1 174 3 -1 2.783894 1.814532 0.596643 Rho 0.1468960E+00 |GRAD(Rho)| 0.4736359E-15 GRAD(Rho)x 0.1679565E-15 GRAD(Rho)y -0.1602722E-15 GRAD(Rho)z 0.4128371E-15 Laplacian 0.6197753E+00 (-1/4)Del**2(Rho)) -0.1549438E+00 Diamond 0.1226378E+01 Metallicity 0.4547040E+01 Ellipticity 0.9990035E-02 Gb(Abramov) 0.2207185E+00 Vb(Abramov) -0.2864932E+00 Hb(Abramov) -0.6577470E-01 Ex_ueg -0.5724422E-01 Ec_ueg -0.8245110E-02 Delta_ex -0.6623320E-01 Delta_ec 0.1583522E-01 Delta_et -0.2102415E+00 Pxc 0.6942809E+01 Qxc -0.4182651E+01 3,-1 175 3 -1 -1.973461 0.855120 3.020433 Rho 0.1420040E+00 |GRAD(Rho)| 0.8513856E-13 GRAD(Rho)x -0.5108059E-13 GRAD(Rho)y -0.6195245E-13 GRAD(Rho)z -0.2830621E-13 Laplacian 0.5639089E+00 (-1/4)Del**2(Rho)) -0.1409772E+00 Diamond 0.1072465E+01 Metallicity 0.4723224E+01 Ellipticity 0.3341587E-01 Gb(Abramov) 0.2049626E+00 Vb(Abramov) -0.2689480E+00 Hb(Abramov) -0.6398541E-01 Ex_ueg -0.5471660E-01 Ec_ueg -0.7933635E-02 Delta_ex -0.5977796E-01 Delta_ec 0.1454952E-01 Delta_et -0.1922644E+00 Pxc 0.6896788E+01 Qxc -0.4108586E+01 3,-1 176 3 -1 -0.078618 -3.196481 3.215557 Rho 0.2464836E+00 |GRAD(Rho)| 0.8726912E-14 GRAD(Rho)x 0.1659670E-14 GRAD(Rho)y 0.6002035E-14 GRAD(Rho)z -0.6113924E-14 Laplacian 0.8948044E+00 (-1/4)Del**2(Rho)) -0.2237011E+00 Diamond 0.3262841E+01 Metallicity 0.7462172E+01 Ellipticity 0.2047112E-02 Gb(Abramov) 0.4273500E+00 Vb(Abramov) -0.6309990E+00 Hb(Abramov) -0.2036490E+00 Ex_ueg -0.1141395E+00 Ec_ueg -0.1488846E-01 Delta_ex -0.1088412E+00 Delta_ec 0.1956429E-01 Delta_et -0.2710088E+00 Pxc 0.7666305E+01 Qxc -0.5563259E+01 3,-1 177 3 -1 1.798940 0.551180 2.759070 Rho 0.1338487E+00 |GRAD(Rho)| 0.4594253E-15 GRAD(Rho)x -0.3555777E-15 GRAD(Rho)y 0.2387413E-15 GRAD(Rho)z 0.1662489E-15 Laplacian 0.5631579E+00 (-1/4)Del**2(Rho)) -0.1407895E+00 Diamond 0.9964435E+00 Metallicity 0.4285552E+01 Ellipticity 0.1133768E-01 Gb(Abramov) 0.1944197E+00 Vb(Abramov) -0.2480500E+00 Hb(Abramov) -0.5363028E-01 Ex_ueg -0.5056742E-01 Ec_ueg -0.7417762E-02 Delta_ex -0.5883380E-01 Delta_ec 0.1471636E-01 Delta_et -0.1926622E+00 Pxc 0.6817072E+01 Qxc -0.3997850E+01 3,-1 178 3 -1 2.014286 0.815696 -2.970057 Rho 0.1481751E+00 |GRAD(Rho)| 0.3994193E-13 GRAD(Rho)x 0.8014260E-14 GRAD(Rho)y 0.3911829E-13 GRAD(Rho)z 0.9430797E-15 Laplacian 0.5885700E+00 (-1/4)Del**2(Rho)) -0.1471425E+00 Diamond 0.1180756E+01 Metallicity 0.4857808E+01 Ellipticity 0.3454029E-01 Gb(Abramov) 0.2172267E+00 Vb(Abramov) -0.2873108E+00 Hb(Abramov) -0.7008417E-01 Ex_ueg -0.5790979E-01 Ec_ueg -0.8326796E-02 Delta_ex -0.6307207E-01 Delta_ec 0.1507688E-01 Delta_et -0.2005813E+00 Pxc 0.6954631E+01 Qxc -0.4183364E+01 3,-1 179 3 -1 2.781894 0.564162 1.811607 Rho 0.1388257E+00 |GRAD(Rho)| 0.2450602E-15 GRAD(Rho)x 0.4204672E-16 GRAD(Rho)y 0.1225826E-15 GRAD(Rho)z -0.2079906E-15 Laplacian 0.5846673E+00 (-1/4)Del**2(Rho)) -0.1461668E+00 Diamond 0.1085953E+01 Metallicity 0.4386862E+01 Ellipticity 0.1232196E-01 Gb(Abramov) 0.2043135E+00 Vb(Abramov) -0.2624602E+00 Hb(Abramov) -0.5814668E-01 Ex_ueg -0.5308984E-01 Ec_ueg -0.7732080E-02 Delta_ex -0.6168024E-01 Delta_ec 0.1524415E-01 Delta_et -0.2009119E+00 Pxc 0.6866179E+01 Qxc -0.4046157E+01 3,-1 180 3 -1 -2.788311 -0.551420 1.846915 Rho 0.1453956E+00 |GRAD(Rho)| 0.3329388E-14 GRAD(Rho)x -0.1394772E-14 GRAD(Rho)y 0.2280050E-14 GRAD(Rho)z 0.1985147E-14 Laplacian 0.6084900E+00 (-1/4)Del**2(Rho)) -0.1521225E+00 Diamond 0.1189047E+01 Metallicity 0.4552801E+01 Ellipticity 0.9945298E-02 Gb(Abramov) 0.2168456E+00 Vb(Abramov) -0.2815686E+00 Hb(Abramov) -0.6472307E-01 Ex_ueg -0.5646598E-01 Ec_ueg -0.8149422E-02 Delta_ex -0.6486136E-01 Delta_ec 0.1558171E-01 Delta_et -0.2065602E+00 Pxc 0.6928832E+01 Qxc -0.4162659E+01 3,-1 181 3 -1 -0.467399 -0.383423 -0.375220 Rho 0.2085164E+00 |GRAD(Rho)| 0.8146923E-16 GRAD(Rho)x 0.7887567E-16 GRAD(Rho)y 0.2038297E-16 GRAD(Rho)z 0.6312050E-18 Laplacian 0.7815920E+00 (-1/4)Del**2(Rho)) -0.1953980E+00 Diamond 0.2566614E+01 Metallicity 0.6464479E+01 Ellipticity 0.3383771E-01 Gb(Abramov) 0.3407897E+00 Vb(Abramov) -0.4861814E+00 Hb(Abramov) -0.1453917E+00 Ex_ueg -0.9132130E-01 Ec_ueg -0.1228996E-01 Delta_ex -0.9254708E-01 Delta_ec 0.2064359E-01 Delta_et -0.2936726E+00 Pxc 0.7430562E+01 Qxc -0.4483091E+01 3,-1 182 3 -1 -0.781459 -3.415768 -1.286690 Rho 0.3115435E+00 |GRAD(Rho)| 0.6015585E-15 GRAD(Rho)x -0.6254745E-16 GRAD(Rho)y 0.5834079E-15 GRAD(Rho)z 0.1326487E-15 Laplacian -0.1608912E+01 (-1/4)Del**2(Rho)) 0.4022280E+00 Diamond 0.5457228E+01 Metallicity -0.6132138E+01 Ellipticity 0.1992847E-02 Gb(Abramov) 0.1429343E+00 Vb(Abramov) -0.6880966E+00 Hb(Abramov) -0.5451623E+00 Ex_ueg -0.1559828E+00 Ec_ueg -0.1952512E-01 Delta_ex 0.1584961E+00 Delta_ec 0.5621864E-01 Delta_et -0.1319582E+01 Pxc 0.7988824E+01 Qxc 0.2819280E+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 68 172 171 115 67 176 165 181 134 146 148 97 101 150 166 104 79 147 105 99 94 103 140 71 168 72 167 69 102 174 117 74 120 122 87 162 91 164 59 161 57 169 125 56 124 55 144 170 129 77 142 81 130 180 145 163 175 83 154 179 177 156 151 160 157 155 152 173 178 159 80 109 138 137 107 63 182 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 52 52 53 53 2.449131 1.953798 1.897937 1.944427 1.924547 1.733565 1.566250 1.543166 1.565409 1.572684 2.413275 1.897058 1.913791 1.972907 1.958204 1.733731 2.449945 1.926253 1.944042 1.943397 1.906451 1.734526 2.469878 1.944103 1.803690 2.070418 1.972239 1.741035 2.534509 1.920240 1.920332 1.928981 1.933384 1.732105 2.448032 1.821769 1.958767 1.956129 2.014382 1.739217 2.398005 1.949235 1.973423 1.908298 1.918786 1.732785 2.406858 2.177468 1.962496 1.972482 1.750018 1.747880 2.457378 1.925710 1.916582 1.937907 1.944279 1.733298 2.513553 1.941970 1.957991 1.873835 1.940506 1.734207 2.530926 1.932921 1.908431 1.957125 1.927166 1.734124 3.266267 3.084189 3.163976 1.007850 1.680831 1.755000 1.003604 2.450212 1.954160 1.898419 1.945080 1.925190 1.733567 1.566288 1.543268 1.565450 1.572691 2.414602 1.897435 1.914240 1.973532 1.958815 1.733733 2.451099 1.926710 1.944451 1.943953 1.907031 1.734530 2.470881 1.944476 1.803815 2.070968 1.972843 1.741055 2.535520 1.920623 1.920791 1.929590 1.933964 1.732105 2.448989 1.822117 1.959124 1.956682 2.015020 1.739228 2.399609 1.949725 1.973839 1.908949 1.920092 1.732790 2.408507 2.177823 1.962885 1.973108 1.750036 1.747905 2.458414 1.926126 1.917061 1.938521 1.944870 1.733300 2.514589 1.942360 1.958387 1.874336 1.941059 1.734212 2.531832 1.933435 1.909666 1.957700 1.927740 1.734127 3.320476 3.086655 3.167385 1.007947 1.685845 1.756067 1.003731 27 23 24 28 24 20 21 21 22 22 27 23 23 23 23 20 27 25 24 23 25 23 31 25 22 25 23 23 29 23 28 24 23 20 27 22 25 23 26 21 27 25 23 23 23 20 27 25 23 25 24 25 29 23 25 23 23 21 29 23 23 25 23 23 29 25 23 23 23 21 37 33 35 19 23 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P 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 H 2.4881 2.3928 2.4954 2.4950 2.4318 2.4922 2.4731 2.4822 2.3919 2.4853 2.4848 2.4706 -1.0486 -0.9865 -1.0460 -1.0554 -0.9554 -0.9714 -0.9229 -0.9606 -0.7615 -0.9615 -0.9700 -0.9547 -0.9588 -0.9588 -0.9583 -0.8986 -0.9594 -0.9816 -0.9657 -0.9691 -0.9663 -0.9664 -0.9647 -0.7774 -0.7769 -0.9673 -0.9737 -0.9655 -0.7752 -0.7779 -0.7725 -0.7791 -0.7963 -0.7733 -0.7923 -0.7695 -0.8104 -0.7749 -0.7798 0.2976 0.3237 2.0858 2.5060 2.0877 2.0850 2.1087 2.0846 2.0898 2.1077 2.1250 2.0867 2.0878 2.0951 1.8936 1.8980 1.8935 1.8914 1.9329 1.9315 1.9428 1.9326 1.8791 1.9325 1.9318 1.9329 1.9328 1.9319 1.9330 1.9572 1.9446 1.9420 1.9422 1.9431 1.9423 1.9431 1.9429 1.9623 1.8790 1.9436 1.9423 1.9429 1.9685 1.9672 1.9689 1.9674 1.9649 1.9693 1.9657 1.9685 1.9613 1.9686 1.9679 0.5399 0.5250 6.0905 7.2737 6.0894 6.0868 6.1044 6.0902 6.0900 6.0961 6.0980 6.0912 6.0899 6.1026 5.1151 5.0489 5.1132 5.1239 4.9927 5.0096 4.9496 4.9975 4.8502 4.9999 5.0079 4.9915 4.9956 4.9959 4.9949 4.9082 4.9838 5.0068 4.9913 4.9936 4.9914 4.9918 4.9891 4.7809 4.8668 4.9927 4.9993 4.9903 4.7702 4.7744 4.7672 4.7754 4.7962 4.7673 4.7911 4.7646 4.8150 4.7698 4.7756 0.1625 0.1513 3.3061 0.8275 3.2981 3.3038 3.3264 3.3037 3.3179 3.2848 3.3568 3.3074 3.3083 3.3027 0.0398 0.0397 0.0394 0.0400 0.0299 0.0304 0.0305 0.0305 0.0322 0.0291 0.0303 0.0303 0.0304 0.0310 0.0304 0.0331 0.0311 0.0328 0.0322 0.0324 0.0325 0.0314 0.0327 0.0342 0.0311 0.0310 0.0321 0.0322 0.0365 0.0362 0.0365 0.0363 0.0352 0.0367 0.0355 0.0364 0.0341 0.0365 0.0364 0.0000 0.0000 14.0295 0.0000 14.0295 14.0294 14.0287 14.0294 14.0293 14.0292 14.0283 14.0294 14.0292 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P 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 H 2.519918 2.007250 2.523713 2.518794 2.492965 2.518263 2.504110 2.537740 2.494388 2.517341 2.514580 2.516947 -1.032533 -0.978899 -1.031732 -1.038466 -0.952508 -0.958514 -0.938191 -0.954340 -0.612556 -0.960437 -0.951385 -0.953509 -0.956648 -0.950945 -0.954002 -0.755934 -0.942972 -0.940879 -0.942901 -0.942800 -0.942368 -0.936438 -0.940702 -0.824202 -0.600416 -0.946486 -0.944669 -0.939542 -0.805248 -0.813199 -0.802620 -0.810856 -0.834529 -0.802477 -0.827360 -0.798457 -0.850315 -0.804922 -0.811142 0.053297 0.066793 1.939889 1.572239 1.946717 1.941183 1.914491 1.941287 1.934105 1.960779 1.941200 1.939407 1.940036 1.945403 -0.750942 -0.717735 -0.752768 -0.755068 -0.711592 -0.726576 -0.731030 -0.716734 -0.736096 -0.720178 -0.705620 -0.720647 -0.722466 -0.711922 -0.716754 -0.626329 -0.781567 -0.757221 -0.761259 -0.769368 -0.765405 -0.750249 -0.766681 -0.722228 -0.758466 -0.782646 -0.768818 -0.765449 -0.702882 -0.699607 -0.699744 -0.709172 -0.733936 -0.698876 -0.724077 -0.685795 -0.755996 -0.702062 -0.708614 0.284728 0.291112 2.044010 1.529497 2.050198 2.045173 2.012110 2.045455 2.033809 2.070305 2.027554 2.044114 2.044794 2.050012 -0.804599 -0.785258 -0.809358 -0.815253 -0.794600 -0.807449 -0.790962 -0.792208 -0.773668 -0.800032 -0.790992 -0.789262 -0.792914 -0.813789 -0.791527 -0.732638 -0.813167 -0.791703 -0.806434 -0.810331 -0.800773 -0.799245 -0.800716 -0.712128 -0.776126 -0.815645 -0.814612 -0.803862 -0.667885 -0.680707 -0.666877 -0.676328 -0.703678 -0.665374 -0.692224 -0.668168 -0.741077 -0.667860 -0.676632 0.368189 0.370839 2.71747423 -1.10446374 0.83839769 3.05080597 -13.31449527 4.37057314 -9.82909236 11.60674283 8.31568376 1.70775244 -396.7540 404.7761 -38.0231 -400.4408 -29.4846 -459.9263 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 Nov03-2023 00:37:28 Nodes: 1 Procs: 1 0 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Nov03-2023 00:37:29 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov03-2023 00:37:30 Nodes: 1 Procs: 1 Nov03-2023 00:37:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Nov03-2023 00:37:33 Nodes: 1 Procs: 28 *** (NO TITLE) *** -5 -16.89390960 -16.89558633 -16.89760903 -16.89865474 -16.89954183 -16.90121588 -16.90145034 -16.90167772 -16.90175119 -16.90187152 -16.90190656 -16.90195174 -16.90196641 -16.90198170 GEOMETRY CONVERGED