ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:22 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.42 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 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.01 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar20-2024 20:01:24 Nodes: 1 Procs: 1 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar20-2024 20:01:24 Nodes: 1 Procs: 1 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Mar20-2024 20:01:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:26 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 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 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar20-2024 20:01:24 Nodes: 1 Procs: 1 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Mar20-2024 20:01:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar20-2024 20:01:26 Nodes: 1 Procs: 1 Mar20-2024 20:01:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar20-2024 20:01:29 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2141.613360999999 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3,-3 36 3 -3 0.015892 3.409555 2.096932 Rho 0.3189329E+03 3,-3 37 3 -3 2.366146 -3.373864 -0.001889 Rho 0.3188880E+03 3,-3 38 3 -3 0.011676 3.384587 -2.054087 Rho 0.3189333E+03 3,-3 39 3 -3 2.767106 -3.605226 2.816563 Rho 0.3191869E+03 3,-3 40 3 -3 5.431960 0.239567 -0.050048 Rho 0.3193122E+03 3,-3 41 3 -3 -2.771454 3.820191 -2.548491 Rho 0.3192009E+03 3,-3 42 3 -3 2.813967 3.765014 2.537495 Rho 0.3192009E+03 3,-3 43 3 -3 3.719574 -0.151915 -0.049592 Rho 0.1240651E+06 3,-3 44 3 -3 -0.170446 -0.191237 0.000904 Rho 0.2439644E+04 3,-3 45 3 -3 -3.053911 1.156384 0.341620 Rho 0.4335823E+00 3,-3 46 3 -1 -2.194294 0.242789 0.543651 Rho 0.7254147E-02 |GRAD(Rho)| 0.1104744E-16 GRAD(Rho)x 0.5881797E-17 GRAD(Rho)y -0.5922454E-17 GRAD(Rho)z -0.7237050E-17 Laplacian 0.2770292E-01 (-1/4)Del**2(Rho)) -0.6925730E-02 Diamond 0.1241969E-02 Metallicity 0.6761840E+00 Ellipticity 0.3101757E+00 Gb(Abramov) 0.5397664E-02 Vb(Abramov) -0.3869599E-02 Hb(Abramov) 0.1528065E-02 Ex_ueg -0.1037131E-02 Ec_ueg -0.2451715E-03 Delta_ex -0.1582313E-02 Delta_ec 0.1049879E-02 Delta_et -0.6305698E-02 Pxc 0.4230226E+01 Qxc -0.1507138E+01 3,-1 47 3 -1 -2.157089 0.256762 -0.613846 Rho 0.6684380E-02 |GRAD(Rho)| 0.9786741E-17 GRAD(Rho)x -0.3781155E-17 GRAD(Rho)y 0.8551645E-17 GRAD(Rho)z -0.2890076E-17 Laplacian 0.2481132E-01 (-1/4)Del**2(Rho)) -0.6202829E-02 Diamond 0.9640013E-03 Metallicity 0.6587670E+00 Ellipticity 0.3675932E+00 Gb(Abramov) 0.4816256E-02 Vb(Abramov) -0.3429683E-02 Hb(Abramov) 0.1386573E-02 Ex_ueg -0.9299648E-03 Ec_ueg -0.2201034E-03 Delta_ex -0.1374893E-02 Delta_ec 0.9038104E-03 Delta_et -0.5306849E-02 Pxc 0.4225126E+01 Qxc -0.1521219E+01 3,-1 48 3 -1 -3.059546 1.231528 -0.219977 Rho 0.4530449E-01 |GRAD(Rho)| 0.3619827E-14 GRAD(Rho)x 0.5343650E-15 GRAD(Rho)y 0.7355860E-17 GRAD(Rho)z -0.3580160E-14 Laplacian 0.1252925E+00 (-1/4)Del**2(Rho)) -0.3132312E-01 Diamond 0.8475151E-01 Metallicity 0.3166578E+01 Ellipticity 0.9800513E-02 Gb(Abramov) 0.3741327E-01 Vb(Abramov) -0.4350341E-01 Hb(Abramov) -0.6090142E-02 Ex_ueg -0.1192816E-01 Ec_ueg -0.2157016E-02 Delta_ex -0.1149680E-01 Delta_ec 0.6299220E-02 Delta_et -0.6524675E-01 Pxc 0.5529935E+01 Qxc -0.1825114E+01 3,-1 49 3 -1 -1.260471 -0.962596 1.632561 Rho 0.6337065E-02 |GRAD(Rho)| 0.2520220E-15 GRAD(Rho)x 0.1152809E-15 GRAD(Rho)y 0.9815847E-16 GRAD(Rho)z 0.2014704E-15 Laplacian 0.2398016E-01 (-1/4)Del**2(Rho)) -0.5995040E-02 Diamond 0.8874069E-03 Metallicity 0.6236027E+00 Ellipticity 0.2127167E+01 Gb(Abramov) 0.4619780E-02 Vb(Abramov) -0.3244521E-02 Hb(Abramov) 0.1375259E-02 Ex_ueg -0.8661024E-03 Ec_ueg -0.2048983E-03 Delta_ex -0.1329090E-02 Delta_ec 0.8979876E-03 Delta_et -0.5179813E-02 Pxc 0.4226987E+01 Qxc -0.1480076E+01 3,-1 50 3 +3 -1.667334 1.053382 0.006592 Rho 0.4291168E-02 |GRAD(Rho)| 0.8822913E-17 GRAD(Rho)x 0.5575488E-17 GRAD(Rho)y 0.6759224E-17 GRAD(Rho)z -0.1034704E-17 Laplacian 0.1713917E-01 (-1/4)Del**2(Rho)) -0.4284794E-02 Diamond 0.1253278E-03 Metallicity 0.4555988E+00 Ellipticity -0.3880152E+00 Gb(Abramov) 0.3181887E-02 Vb(Abramov) -0.2078980E-02 Hb(Abramov) 0.1102907E-02 Ex_ueg -0.5150141E-03 Ec_ueg -0.1165376E-03 Delta_ex -0.5997974E-03 Delta_ec 0.1328692E-03 Delta_et -0.8559444E-03 Pxc 0.4419296E+01 Qxc -0.4514193E+01 3,+3 51 3 -1 -0.841217 -0.629880 -3.378767 Rho 0.2271806E+00 |GRAD(Rho)| 0.3729550E-13 GRAD(Rho)x -0.5660782E-14 GRAD(Rho)y 0.3675966E-13 GRAD(Rho)z -0.2763631E-14 Laplacian 0.8861896E+00 (-1/4)Del**2(Rho)) -0.2215474E+00 Diamond 0.2898044E+01 Metallicity 0.6577162E+01 Ellipticity 0.9606306E-02 Gb(Abramov) 0.3905571E+00 Vb(Abramov) -0.5595668E+00 Hb(Abramov) -0.1690097E+00 Ex_ueg -0.1023796E+00 Ec_ueg -0.1355745E-01 Delta_ex -0.1053452E+00 Delta_ec 0.1952760E-01 Delta_et -0.2683715E+00 Pxc 0.7551538E+01 Qxc -0.5394684E+01 3,-1 52 3 -1 0.796982 1.623063 -1.544228 Rho 0.3347840E-01 |GRAD(Rho)| 0.6517535E-16 GRAD(Rho)x 0.5679324E-16 GRAD(Rho)y 0.2517943E-16 GRAD(Rho)z -0.1970659E-16 Laplacian 0.1244080E+00 (-1/4)Del**2(Rho)) -0.3110200E-01 Diamond 0.3509041E-01 Metallicity 0.1926220E+01 Ellipticity 0.4317306E-01 Gb(Abramov) 0.3071955E-01 Vb(Abramov) -0.3033710E-01 Hb(Abramov) 0.3824490E-03 Ex_ueg -0.7969014E-02 Ec_ueg -0.1524383E-02 Delta_ex -0.9162661E-02 Delta_ec 0.3524307E-02 Delta_et -0.3336614E-01 Pxc 0.5227697E+01 Qxc -0.2599847E+01 3,-1 53 3 +1 -1.126040 -0.835602 1.644415 Rho 0.6307373E-02 |GRAD(Rho)| 0.8915805E-14 GRAD(Rho)x 0.5574092E-14 GRAD(Rho)y 0.6792517E-14 GRAD(Rho)z -0.1510888E-14 Laplacian 0.2426332E-01 (-1/4)Del**2(Rho)) -0.6065831E-02 Diamond 0.7253475E-03 Metallicity 0.6115197E+00 Ellipticity -0.3483491E+01 Gb(Abramov) 0.4662116E-02 Vb(Abramov) -0.3258402E-02 Hb(Abramov) 0.1403714E-02 Ex_ueg -0.8606960E-03 Ec_ueg -0.2036011E-03 Delta_ex -0.1229908E-02 Delta_ec 0.7056061E-03 Delta_et -0.4131048E-02 Pxc 0.4227364E+01 Qxc -0.1743052E+01 3,+1 54 3 +1 0.639606 1.142212 2.310866 Rho 0.2414963E-01 |GRAD(Rho)| 0.1008224E-15 GRAD(Rho)x 0.3328252E-16 GRAD(Rho)y 0.1454136E-16 GRAD(Rho)z 0.9405308E-16 Laplacian 0.9709756E-01 (-1/4)Del**2(Rho)) -0.2427439E-01 Diamond 0.1359936E-01 Metallicity 0.1431932E+01 Ellipticity -0.8165774E+01 Gb(Abramov) 0.2197614E-01 Vb(Abramov) -0.1967788E-01 Hb(Abramov) 0.2298252E-02 Ex_ueg -0.5155439E-02 Ec_ueg -0.1045995E-02 Delta_ex -0.6152999E-02 Delta_ec 0.1950400E-02 Delta_et -0.1699356E-01 Pxc 0.4928741E+01 Qxc -0.3154737E+01 3,+1 55 3 -1 -0.868838 -0.636588 3.341955 Rho 0.2279296E+00 |GRAD(Rho)| 0.1289434E-13 GRAD(Rho)x -0.4022390E-16 GRAD(Rho)y 0.1274512E-13 GRAD(Rho)z -0.1955575E-14 Laplacian 0.8931181E+00 (-1/4)Del**2(Rho)) -0.2232795E+00 Diamond 0.2929368E+01 Metallicity 0.6562041E+01 Ellipticity 0.1085495E-01 Gb(Abramov) 0.3930479E+00 Vb(Abramov) -0.5628163E+00 Hb(Abramov) -0.1697684E+00 Ex_ueg -0.1028299E+00 Ec_ueg -0.1360872E-01 Delta_ex -0.1062432E+00 Delta_ec 0.1963158E-01 Delta_et -0.2697108E+00 Pxc 0.7556180E+01 Qxc -0.5411853E+01 3,-1 56 3 +3 1.553311 0.940081 0.049277 Rho 0.3677595E-02 |GRAD(Rho)| 0.7344196E-13 GRAD(Rho)x -0.9372810E-15 GRAD(Rho)y -0.7341569E-13 GRAD(Rho)z 0.1725988E-14 Laplacian 0.1472053E-01 (-1/4)Del**2(Rho)) -0.3680132E-02 Diamond 0.8167392E-04 Metallicity 0.4101691E+00 Ellipticity -0.2853619E+00 Gb(Abramov) 0.2705000E-02 Vb(Abramov) -0.1729869E-02 Hb(Abramov) 0.9751312E-03 Ex_ueg -0.4192472E-03 Ec_ueg -0.9045586E-04 Delta_ex -0.4871485E-03 Delta_ec 0.1000520E-03 Delta_et -0.6456294E-03 Pxc 0.4634826E+01 Qxc -0.4868952E+01 3,+3 57 3 +1 0.726900 -0.639120 -1.528981 Rho 0.9329427E-02 |GRAD(Rho)| 0.7041414E-17 GRAD(Rho)x -0.3929955E-17 GRAD(Rho)y 0.4415419E-17 GRAD(Rho)z 0.3826363E-17 Laplacian 0.4043450E-01 (-1/4)Del**2(Rho)) -0.1010863E-01 Diamond 0.1234436E-02 Metallicity 0.7046163E+00 Ellipticity -0.1385741E+01 Gb(Abramov) 0.7926200E-02 Vb(Abramov) -0.5743776E-02 Hb(Abramov) 0.2182425E-02 Ex_ueg -0.1450524E-02 Ec_ueg -0.3377337E-03 Delta_ex -0.1896042E-02 Delta_ec 0.5872417E-03 Delta_et -0.4083997E-02 Pxc 0.4294876E+01 Qxc -0.3228725E+01 3,+1 58 3 +1 1.576420 0.419427 -0.788371 Rho 0.6277192E-02 |GRAD(Rho)| 0.2715114E-17 GRAD(Rho)x 0.2680401E-17 GRAD(Rho)y -0.3607803E-18 GRAD(Rho)z -0.2390255E-18 Laplacian 0.2521163E-01 (-1/4)Del**2(Rho)) -0.6302906E-02 Diamond 0.4896813E-03 Metallicity 0.5838321E+00 Ellipticity -0.1407423E+01 Gb(Abramov) 0.4815244E-02 Vb(Abramov) -0.3327582E-02 Hb(Abramov) 0.1487662E-02 Ex_ueg -0.8552090E-03 Ec_ueg -0.2022829E-03 Delta_ex -0.1099036E-02 Delta_ec 0.4159413E-03 Delta_et -0.2566157E-02 Pxc 0.4227786E+01 Qxc -0.2642286E+01 3,+1 59 3 -1 0.607994 0.791205 3.445098 Rho 0.8867315E-01 |GRAD(Rho)| 0.2601425E-15 GRAD(Rho)x 0.2405133E-15 GRAD(Rho)y 0.9897411E-16 GRAD(Rho)z 0.5618581E-17 Laplacian 0.3595040E+00 (-1/4)Del**2(Rho)) -0.8987600E-01 Diamond 0.3834679E+00 Metallicity 0.3379841E+01 Ellipticity 0.1617234E-01 Gb(Abramov) 0.1105451E+00 Vb(Abramov) -0.1312142E+00 Hb(Abramov) -0.2066910E-01 Ex_ueg -0.2920393E-01 Ec_ueg -0.4644183E-02 Delta_ex -0.3401036E-01 Delta_ec 0.1017333E-01 Delta_et -0.1231718E+00 Pxc 0.6288281E+01 Qxc -0.3343092E+01 3,-1 60 3 +1 2.178156 -0.028088 2.060460 Rho 0.4385486E-02 |GRAD(Rho)| 0.8728293E-15 GRAD(Rho)x 0.6041815E-15 GRAD(Rho)y -0.4839985E-15 GRAD(Rho)z -0.4031639E-15 Laplacian 0.1775172E-01 (-1/4)Del**2(Rho)) -0.4437931E-02 Diamond 0.3620242E-03 Metallicity 0.4561092E+00 Ellipticity -0.3026696E+01 Gb(Abramov) 0.3295984E-02 Vb(Abramov) -0.2154037E-02 Hb(Abramov) 0.1141947E-02 Ex_ueg -0.5301621E-03 Ec_ueg -0.1205644E-03 Delta_ex -0.8772829E-03 Delta_ec 0.5884771E-03 Delta_et -0.3060275E-02 Pxc 0.4397337E+01 Qxc -0.1490768E+01 3,+1 61 3 +1 1.657844 0.411096 0.801033 Rho 0.5567032E-02 |GRAD(Rho)| 0.4628952E-13 GRAD(Rho)x -0.2398259E-14 GRAD(Rho)y -0.4349044E-13 GRAD(Rho)z -0.1567003E-13 Laplacian 0.2167973E-01 (-1/4)Del**2(Rho)) -0.5419932E-02 Diamond 0.3572213E-03 Metallicity 0.5558175E+00 Ellipticity -0.1391890E+01 Gb(Abramov) 0.4115370E-02 Vb(Abramov) -0.2810808E-02 Hb(Abramov) 0.1304562E-02 Ex_ueg -0.7287021E-03 Ec_ueg -0.1713955E-03 Delta_ex -0.9180576E-03 Delta_ec 0.3566712E-03 Delta_et -0.2130508E-02 Pxc 0.4251582E+01 Qxc -0.2573960E+01 3,+1 62 3 +1 0.742199 -0.646554 1.514867 Rho 0.9448190E-02 |GRAD(Rho)| 0.8051228E-17 GRAD(Rho)x -0.1001390E-17 GRAD(Rho)y 0.7840819E-17 GRAD(Rho)z -0.1530048E-17 Laplacian 0.4081813E-01 (-1/4)Del**2(Rho)) -0.1020453E-01 Diamond 0.1255933E-02 Metallicity 0.7128657E+00 Ellipticity -0.1383824E+01 Gb(Abramov) 0.8015432E-02 Vb(Abramov) -0.5826331E-02 Hb(Abramov) 0.2189101E-02 Ex_ueg -0.1475197E-02 Ec_ueg -0.3430884E-03 Delta_ex -0.1915455E-02 Delta_ec 0.5843673E-03 Delta_et -0.4083723E-02 Pxc 0.4299756E+01 Qxc -0.3277827E+01 3,+1 63 3 -1 0.585811 -0.639100 3.171201 Rho 0.1424037E+00 |GRAD(Rho)| 0.6352396E-13 GRAD(Rho)x -0.6240249E-13 GRAD(Rho)y -0.1157283E-13 GRAD(Rho)z 0.2700571E-14 Laplacian 0.5875173E+00 (-1/4)Del**2(Rho)) -0.1468793E+00 Diamond 0.1129694E+01 Metallicity 0.4554716E+01 Ellipticity 0.6516299E-02 Gb(Abramov) 0.2094185E+00 Vb(Abramov) -0.2719576E+00 Hb(Abramov) -0.6253915E-01 Ex_ueg -0.5492205E-01 Ec_ueg -0.7959028E-02 Delta_ex -0.6241461E-01 Delta_ec 0.1531124E-01 Delta_et -0.2027620E+00 Pxc 0.6900597E+01 Qxc -0.4076393E+01 3,-1 64 3 -1 0.605209 -0.649824 -3.179534 Rho 0.1402441E+00 |GRAD(Rho)| 0.1628207E-15 GRAD(Rho)x 0.1110494E-15 GRAD(Rho)y -0.1009799E-15 GRAD(Rho)z 0.6310057E-16 Laplacian 0.5807167E+00 (-1/4)Del**2(Rho)) -0.1451792E+00 Diamond 0.1096626E+01 Metallicity 0.4492176E+01 Ellipticity 0.4676125E-02 Gb(Abramov) 0.2054812E+00 Vb(Abramov) -0.2657832E+00 Hb(Abramov) -0.6030200E-01 Ex_ueg -0.5381434E-01 Ec_ueg -0.7821953E-02 Delta_ex -0.6146682E-01 Delta_ec 0.1519643E-01 Delta_et -0.2007865E+00 Pxc 0.6879910E+01 Qxc -0.4044821E+01 3,-1 65 3 -1 0.375372 -0.543509 -0.003597 Rho 0.1795492E+00 |GRAD(Rho)| 0.1516100E-15 GRAD(Rho)x 0.7489854E-16 GRAD(Rho)y 0.1318087E-15 GRAD(Rho)z -0.1505223E-17 Laplacian 0.4915198E+00 (-1/4)Del**2(Rho)) -0.1228800E+00 Diamond 0.1377821E+01 Metallicity 0.8011452E+01 Ellipticity 0.6897799E-02 Gb(Abramov) 0.2459945E+00 Vb(Abramov) -0.3691089E+00 Hb(Abramov) -0.1231145E+00 Ex_ueg -0.7481058E-01 Ec_ueg -0.1036122E-01 Delta_ex -0.5630919E-01 Delta_ec 0.1389345E-01 Delta_et -0.1949748E+00 Pxc 0.7220247E+01 Qxc -0.4052932E+01 3,-1 66 3 +3 2.646304 -1.772558 -0.025186 Rho 0.1108313E-01 |GRAD(Rho)| 0.1875678E-16 GRAD(Rho)x -0.9844518E-17 GRAD(Rho)y -0.1558565E-16 GRAD(Rho)z -0.3462597E-17 Laplacian 0.4945818E-01 (-1/4)Del**2(Rho)) -0.1236455E-01 Diamond 0.9031481E-03 Metallicity 0.7676193E+00 Ellipticity -0.3913789E+00 Gb(Abramov) 0.9824908E-02 Vb(Abramov) -0.7285270E-02 Hb(Abramov) 0.2539638E-02 Ex_ueg -0.1825023E-02 Ec_ueg -0.4174104E-03 Delta_ex -0.2099970E-02 Delta_ec 0.1405609E-03 Delta_et -0.1434498E-02 Pxc 0.4372252E+01 Qxc -0.1493993E+02 3,+3 67 3 +1 -1.852680 0.438157 -0.731699 Rho 0.6434004E-02 |GRAD(Rho)| 0.7804009E-17 GRAD(Rho)x 0.7738493E-17 GRAD(Rho)y -0.2439455E-18 GRAD(Rho)z -0.9791701E-18 Laplacian 0.2510193E-01 (-1/4)Del**2(Rho)) -0.6275482E-02 Diamond 0.6547032E-03 Metallicity 0.6110005E+00 Ellipticity -0.2003765E+01 Gb(Abramov) 0.4822709E-02 Vb(Abramov) -0.3369935E-02 Hb(Abramov) 0.1452774E-02 Ex_ueg -0.8838125E-03 Ec_ueg -0.2091364E-03 Delta_ex -0.1200606E-02 Delta_ec 0.5924919E-03 Delta_et -0.3547299E-02 Pxc 0.4226010E+01 Qxc -0.2026367E+01 3,+1 68 3 +1 2.122221 -0.034905 -2.014598 Rho 0.4356111E-02 |GRAD(Rho)| 0.1111290E-14 GRAD(Rho)x 0.9353635E-15 GRAD(Rho)y -0.4128345E-15 GRAD(Rho)z 0.4354623E-15 Laplacian 0.1784959E-01 (-1/4)Del**2(Rho)) -0.4462399E-02 Diamond 0.3663667E-03 Metallicity 0.4485557E+00 Ellipticity -0.3286920E+01 Gb(Abramov) 0.3308538E-02 Vb(Abramov) -0.2154678E-02 Hb(Abramov) 0.1153860E-02 Ex_ueg -0.5254326E-03 Ec_ueg -0.1193098E-03 Delta_ex -0.8872890E-03 Delta_ec 0.6029122E-03 Delta_et -0.3124619E-02 Pxc 0.4403937E+01 Qxc -0.1471672E+01 3,+1 69 3 -1 1.642007 2.758314 -0.846657 Rho 0.1315880E+00 |GRAD(Rho)| 0.8237523E-15 GRAD(Rho)x -0.2927515E-16 GRAD(Rho)y 0.1299687E-15 GRAD(Rho)z 0.8129077E-15 Laplacian 0.5489339E+00 (-1/4)Del**2(Rho)) -0.1372335E+00 Diamond 0.9535475E+00 Metallicity 0.4273529E+01 Ellipticity 0.1595312E-01 Gb(Abramov) 0.1892342E+00 Vb(Abramov) -0.2412349E+00 Hb(Abramov) -0.5200072E-01 Ex_ueg -0.4943182E-01 Ec_ueg -0.7275514E-02 Delta_ex -0.5713530E-01 Delta_ec 0.1444469E-01 Delta_et -0.1886707E+00 Pxc 0.6794272E+01 Qxc -0.3955453E+01 3,-1 70 3 -1 1.690121 2.738447 0.901922 Rho 0.1456147E+00 |GRAD(Rho)| 0.8494499E-14 GRAD(Rho)x 0.1577375E-14 GRAD(Rho)y -0.1747314E-14 GRAD(Rho)z 0.8161820E-14 Laplacian 0.6040554E+00 (-1/4)Del**2(Rho)) -0.1510139E+00 Diamond 0.1182290E+01 Metallicity 0.4597749E+01 Ellipticity 0.9188223E-02 Gb(Abramov) 0.2163965E+00 Vb(Abramov) -0.2817792E+00 Hb(Abramov) -0.6538269E-01 Ex_ueg -0.5657947E-01 Ec_ueg -0.8163388E-02 Delta_ex -0.6441003E-01 Delta_ec 0.1545820E-01 Delta_et -0.2049582E+00 Pxc 0.6930881E+01 Qxc -0.4166722E+01 3,-1 71 3 +1 2.536221 1.791566 0.053543 Rho 0.1251867E-01 |GRAD(Rho)| 0.2005288E-16 GRAD(Rho)x 0.1167224E-16 GRAD(Rho)y -0.7412743E-17 GRAD(Rho)z -0.1452336E-16 Laplacian 0.6192732E-01 (-1/4)Del**2(Rho)) -0.1548183E-01 Diamond 0.2587965E-02 Metallicity 0.7510371E+00 Ellipticity -0.1272591E+01 Gb(Abramov) 0.1225912E-01 Vb(Abramov) -0.9036419E-02 Hb(Abramov) 0.3222705E-02 Ex_ueg -0.2146822E-02 Ec_ueg -0.4835654E-03 Delta_ex -0.3066812E-02 Delta_ec 0.7834414E-03 Delta_et -0.5950788E-02 Pxc 0.4439570E+01 Qxc -0.3914539E+01 3,+1 72 3 -1 2.277142 3.200766 -2.190251 Rho 0.2286081E+00 |GRAD(Rho)| 0.1253962E-14 GRAD(Rho)x -0.7923892E-15 GRAD(Rho)y -0.9393528E-15 GRAD(Rho)z 0.2493123E-15 Laplacian 0.8298438E+00 (-1/4)Del**2(Rho)) -0.2074609E+00 Diamond 0.2778894E+01 Metallicity 0.7097459E+01 Ellipticity 0.1029494E-02 Gb(Abramov) 0.3837149E+00 Vb(Abramov) -0.5599688E+00 Hb(Abramov) -0.1762539E+00 Ex_ueg -0.1032382E+00 Ec_ueg -0.1365518E-01 Delta_ex -0.9906142E-01 Delta_ec 0.1870463E-01 Delta_et -0.2590364E+00 Pxc 0.7560371E+01 Qxc -0.5296091E+01 3,-1 73 3 -1 2.348078 3.172402 2.238869 Rho 0.2289131E+00 |GRAD(Rho)| 0.1858909E-14 GRAD(Rho)x -0.6246631E-15 GRAD(Rho)y -0.1493543E-14 GRAD(Rho)z -0.9136030E-15 Laplacian 0.8288630E+00 (-1/4)Del**2(Rho)) -0.2072157E+00 Diamond 0.2780807E+01 Metallicity 0.7121664E+01 Ellipticity 0.3675971E-02 Gb(Abramov) 0.3840973E+00 Vb(Abramov) -0.5609789E+00 Hb(Abramov) -0.1768816E+00 Ex_ueg -0.1034219E+00 Ec_ueg -0.1367608E-01 Delta_ex -0.9898278E-01 Delta_ec 0.1868283E-01 Delta_et -0.2587825E+00 Pxc 0.7562251E+01 Qxc -0.5298061E+01 3,-1 74 3 +1 2.428545 -1.075907 -0.550116 Rho 0.1922623E-01 |GRAD(Rho)| 0.1685719E-16 GRAD(Rho)x -0.1404583E-16 GRAD(Rho)y -0.8507793E-17 GRAD(Rho)z 0.3807512E-17 Laplacian 0.7187070E-01 (-1/4)Del**2(Rho)) -0.1796767E-01 Diamond 0.7018243E-02 Metallicity 0.1322975E+01 Ellipticity -0.4415499E+01 Gb(Abramov) 0.1594025E-01 Vb(Abramov) -0.1391282E-01 Hb(Abramov) 0.2027429E-02 Ex_ueg -0.3804030E-02 Ec_ueg -0.8026560E-03 Delta_ex -0.4241800E-02 Delta_ec 0.1348152E-02 Delta_et -0.1109594E-01 Pxc 0.4739303E+01 Qxc -0.3146382E+01 3,+1 75 3 -1 2.701137 -1.988675 -1.528137 Rho 0.7547095E-01 |GRAD(Rho)| 0.4871585E-14 GRAD(Rho)x 0.3852990E-14 GRAD(Rho)y 0.2871277E-14 GRAD(Rho)z 0.8016057E-15 Laplacian 0.3025900E+00 (-1/4)Del**2(Rho)) -0.7564750E-01 Diamond 0.2643874E+00 Metallicity 0.3069434E+01 Ellipticity 0.7614746E-02 Gb(Abramov) 0.8913083E-01 Vb(Abramov) -0.1026142E+00 Hb(Abramov) -0.1348333E-01 Ex_ueg -0.2355545E-01 Ec_ueg -0.3864953E-02 Delta_ex -0.2756837E-01 Delta_ec 0.8805687E-02 Delta_et -0.1028657E+00 Pxc 0.6094628E+01 Qxc -0.3130747E+01 3,-1 76 3 +1 3.012242 -1.992876 -0.019664 Rho 0.1192410E-01 |GRAD(Rho)| 0.2246847E-16 GRAD(Rho)x -0.6026307E-17 GRAD(Rho)y -0.2140817E-16 GRAD(Rho)z -0.3194709E-17 Laplacian 0.5483476E-01 (-1/4)Del**2(Rho)) -0.1370869E-01 Diamond 0.1944661E-02 Metallicity 0.7821076E+00 Ellipticity -0.1239127E+01 Gb(Abramov) 0.1092607E-01 Vb(Abramov) -0.8143453E-02 Hb(Abramov) 0.2782618E-02 Ex_ueg -0.2011959E-02 Ec_ueg -0.4560663E-03 Delta_ex -0.2622802E-02 Delta_ec 0.5902374E-03 Delta_et -0.4512628E-02 Pxc 0.4411550E+01 Qxc -0.4443640E+01 3,+1 77 3 -1 2.699847 -1.949782 1.502739 Rho 0.8063469E-01 |GRAD(Rho)| 0.1404648E-13 GRAD(Rho)x -0.9175129E-14 GRAD(Rho)y -0.9565507E-14 GRAD(Rho)z 0.4649912E-14 Laplacian 0.3240933E+00 (-1/4)Del**2(Rho)) -0.8102332E-01 Diamond 0.3077888E+00 Metallicity 0.3199973E+01 Ellipticity 0.1095348E-01 Gb(Abramov) 0.9722762E-01 Vb(Abramov) -0.1134319E+00 Hb(Abramov) -0.1620430E-01 Ex_ueg -0.2572849E-01 Ec_ueg -0.4167767E-02 Delta_ex -0.2999446E-01 Delta_ec 0.9342539E-02 Delta_et -0.1108001E+00 Pxc 0.6173208E+01 Qxc -0.3210526E+01 3,-1 78 3 +1 1.711564 -2.220946 -0.001983 Rho 0.2772424E-01 |GRAD(Rho)| 0.1390139E-15 GRAD(Rho)x 0.4207350E-16 GRAD(Rho)y -0.1323790E-15 GRAD(Rho)z -0.5521036E-17 Laplacian 0.1111588E+00 (-1/4)Del**2(Rho)) -0.2778969E-01 Diamond 0.1745984E-01 Metallicity 0.1574353E+01 Ellipticity -0.5583701E+01 Gb(Abramov) 0.2581826E-01 Vb(Abramov) -0.2384683E-01 Hb(Abramov) 0.1971432E-02 Ex_ueg -0.6197235E-02 Ec_ueg -0.1226830E-02 Delta_ex -0.7173616E-02 Delta_ec 0.2003825E-02 Delta_et -0.1811921E-01 Pxc 0.5051421E+01 Qxc -0.3579962E+01 3,+1 79 3 +3 1.707598 -0.032158 -1.584250 Rho 0.3792360E-02 |GRAD(Rho)| 0.5229598E-17 GRAD(Rho)x 0.4163077E-17 GRAD(Rho)y 0.3149156E-17 GRAD(Rho)z -0.3166955E-18 Laplacian 0.1584322E-01 (-1/4)Del**2(Rho)) -0.3960806E-02 Diamond 0.1199001E-03 Metallicity 0.4011303E+00 Ellipticity -0.1985695E+00 Gb(Abramov) 0.2905337E-02 Vb(Abramov) -0.1849869E-02 Hb(Abramov) 0.1055469E-02 Ex_ueg -0.4367817E-03 Ec_ueg -0.9531913E-04 Delta_ex -0.5664531E-03 Delta_ec 0.1754000E-03 Delta_et -0.1010052E-02 Pxc 0.4582309E+01 Qxc -0.3229493E+01 3,+3 80 3 -1 3.617107 -0.818674 -0.753068 Rho 0.1762193E+00 |GRAD(Rho)| 0.2650507E-13 GRAD(Rho)x 0.5324385E-14 GRAD(Rho)y -0.2594894E-13 GRAD(Rho)z 0.9067725E-15 Laplacian 0.6769114E+00 (-1/4)Del**2(Rho)) -0.1692279E+00 Diamond 0.1652348E+01 Metallicity 0.5638590E+01 Ellipticity 0.5066171E-01 Gb(Abramov) 0.2718530E+00 Vb(Abramov) -0.3744781E+00 Hb(Abramov) -0.1026251E+00 Ex_ueg -0.7296643E-01 Ec_ueg -0.1014256E-01 Delta_ex -0.7556385E-01 Delta_ec 0.1630912E-01 Delta_et -0.2209999E+00 Pxc 0.7194087E+01 Qxc -0.4633226E+01 3,-1 81 3 -1 3.601973 -0.794502 0.683051 Rho 0.1708659E+00 |GRAD(Rho)| 0.1251871E-12 GRAD(Rho)x 0.1176327E-12 GRAD(Rho)y 0.3468845E-13 GRAD(Rho)z -0.2512096E-13 Laplacian 0.6520494E+00 (-1/4)Del**2(Rho)) -0.1630123E+00 Diamond 0.1535976E+01 Metallicity 0.5560216E+01 Ellipticity 0.4418073E-01 Gb(Abramov) 0.2597389E+00 Vb(Abramov) -0.3564654E+00 Hb(Abramov) -0.9672653E-01 Ex_ueg -0.7002594E-01 Ec_ueg -0.9792353E-02 Delta_ex -0.7224550E-01 Delta_ec 0.1587031E-01 Delta_et -0.2144229E+00 Pxc 0.7151084E+01 Qxc -0.4552241E+01 3,-1 82 3 +1 2.447610 -1.003358 0.455510 Rho 0.2003049E-01 |GRAD(Rho)| 0.1203051E-14 GRAD(Rho)x 0.1125703E-14 GRAD(Rho)y 0.4017857E-15 GRAD(Rho)z -0.1367272E-15 Laplacian 0.7470278E-01 (-1/4)Del**2(Rho)) -0.1867570E-01 Diamond 0.7409585E-02 Metallicity 0.1362790E+01 Ellipticity -0.3717766E+01 Gb(Abramov) 0.1669231E-01 Vb(Abramov) -0.1470892E-01 Hb(Abramov) 0.1983390E-02 Ex_ueg -0.4017665E-02 Ec_ueg -0.8419186E-03 Delta_ex -0.4411087E-02 Delta_ec 0.1321354E-02 Delta_et -0.1101876E-01 Pxc 0.4772036E+01 Qxc -0.3338309E+01 3,+1 83 3 -1 4.633423 0.056446 -0.049724 Rho 0.2166534E+00 |GRAD(Rho)| 0.9441459E-15 GRAD(Rho)x 0.7603510E-15 GRAD(Rho)y -0.3283371E-15 GRAD(Rho)z -0.4532909E-15 Laplacian 0.7689375E+00 (-1/4)Del**2(Rho)) -0.1922344E+00 Diamond 0.2423780E+01 Metallicity 0.7003763E+01 Ellipticity 0.3537496E-02 Gb(Abramov) 0.3525502E+00 Vb(Abramov) -0.5128661E+00 Hb(Abramov) -0.1603159E+00 Ex_ueg -0.9610349E-01 Ec_ueg -0.1284018E-01 Delta_ex -0.9058505E-01 Delta_ec 0.1770801E-01 Delta_et -0.2449151E+00 Pxc 0.7484589E+01 Qxc -0.5115486E+01 3,-1 84 3 -1 2.424487 -0.627578 -0.023731 Rho 0.2308827E-01 |GRAD(Rho)| 0.3115065E-15 GRAD(Rho)x 0.2542256E-15 GRAD(Rho)y -0.8616936E-16 GRAD(Rho)z 0.1580522E-15 Laplacian 0.8855178E-01 (-1/4)Del**2(Rho)) -0.2213794E-01 Diamond 0.1493911E-01 Metallicity 0.1456806E+01 Ellipticity 0.1209934E+00 Gb(Abramov) 0.2013374E-01 Vb(Abramov) -0.1812954E-01 Hb(Abramov) 0.2004201E-02 Ex_ueg -0.4855571E-02 Ec_ueg -0.9929518E-03 Delta_ex -0.5942429E-02 Delta_ec 0.2485477E-02 Delta_et -0.2123361E-01 Pxc 0.4890037E+01 Qxc -0.2390861E+01 3,-1 85 3 -1 -2.499032 1.860886 -1.581089 Rho 0.2096851E+00 |GRAD(Rho)| 0.1012561E-13 GRAD(Rho)x -0.5353845E-14 GRAD(Rho)y 0.4498355E-15 GRAD(Rho)z 0.8582653E-14 Laplacian 0.8150130E+00 (-1/4)Del**2(Rho)) -0.2037533E+00 Diamond 0.2428981E+01 Metallicity 0.6257408E+01 Ellipticity 0.2028358E-01 Gb(Abramov) 0.3483301E+00 Vb(Abramov) -0.4929068E+00 Hb(Abramov) -0.1445768E+00 Ex_ueg -0.9200436E-01 Ec_ueg -0.1236876E-01 Delta_ex -0.9494817E-01 Delta_ec 0.1847488E-01 Delta_et -0.2532387E+00 Pxc 0.7438448E+01 Qxc -0.5139312E+01 3,-1 86 3 +1 0.680400 1.623734 -0.011264 Rho 0.7168383E-02 |GRAD(Rho)| 0.1544927E-13 GRAD(Rho)x 0.9448959E-14 GRAD(Rho)y -0.1173883E-13 GRAD(Rho)z 0.3405473E-14 Laplacian 0.2957733E-01 (-1/4)Del**2(Rho)) -0.7394333E-02 Diamond 0.6462637E-03 Metallicity 0.6209016E+00 Ellipticity -0.1365728E+01 Gb(Abramov) 0.5694748E-02 Vb(Abramov) -0.3995162E-02 Hb(Abramov) 0.1699586E-02 Ex_ueg -0.1020814E-02 Ec_ueg -0.2413883E-03 Delta_ex -0.1307202E-02 Delta_ec 0.4454154E-03 Delta_et -0.2879435E-02 Pxc 0.4228928E+01 Qxc -0.2934792E+01 3,+1 87 3 +1 -2.523079 1.914538 -0.036322 Rho 0.1486772E-01 |GRAD(Rho)| 0.6384023E-17 GRAD(Rho)x 0.9791701E-18 GRAD(Rho)y 0.1145189E-17 GRAD(Rho)z -0.6203669E-17 Laplacian 0.6970975E-01 (-1/4)Del**2(Rho)) -0.1742744E-01 Diamond 0.3774662E-02 Metallicity 0.8886424E+00 Ellipticity -0.1417292E+01 Gb(Abramov) 0.1419942E-01 Vb(Abramov) -0.1097140E-01 Hb(Abramov) 0.3228019E-02 Ex_ueg -0.2700086E-02 Ec_ueg -0.5935203E-03 Delta_ex -0.3632992E-02 Delta_ec 0.9146692E-03 Delta_et -0.7216783E-02 Pxc 0.4549274E+01 Qxc -0.3971919E+01 3,+1 88 3 +1 -1.779584 0.495551 0.751623 Rho 0.6531778E-02 |GRAD(Rho)| 0.4251634E-17 GRAD(Rho)x 0.7318365E-18 GRAD(Rho)y -0.3638854E-17 GRAD(Rho)z -0.2073537E-17 Laplacian 0.2612321E-01 (-1/4)Del**2(Rho)) -0.6530803E-02 Diamond 0.6441755E-03 Metallicity 0.6020588E+00 Ellipticity -0.1702252E+01 Gb(Abramov) 0.5009190E-02 Vb(Abramov) -0.3487577E-02 Hb(Abramov) 0.1521613E-02 Ex_ueg -0.9017655E-03 Ec_ueg -0.2134156E-03 Delta_ex -0.1220308E-02 Delta_ec 0.5571812E-03 Delta_et -0.3381214E-02 Pxc 0.4225397E+01 Qxc -0.2190146E+01 3,+1 89 3 -1 -0.861403 1.675351 1.548626 Rho 0.3398715E-01 |GRAD(Rho)| 0.5617332E-13 GRAD(Rho)x -0.1210600E-13 GRAD(Rho)y -0.5222911E-13 GRAD(Rho)z -0.1676328E-13 Laplacian 0.1235706E+00 (-1/4)Del**2(Rho)) -0.3089264E-01 Diamond 0.3549347E-01 Metallicity 0.1988639E+01 Ellipticity 0.2792877E-01 Gb(Abramov) 0.3083415E-01 Vb(Abramov) -0.3077565E-01 Hb(Abramov) 0.5849450E-04 Ex_ueg -0.8130889E-02 Ec_ueg -0.1551044E-02 Delta_ex -0.9128972E-02 Delta_ec 0.3489532E-02 Delta_et -0.3317247E-01 Pxc 0.5242205E+01 Qxc -0.2616102E+01 3,-1 90 3 -1 -2.411497 1.937732 1.565121 Rho 0.1408083E+00 |GRAD(Rho)| 0.2527625E-13 GRAD(Rho)x -0.1147094E-13 GRAD(Rho)y 0.2034683E-13 GRAD(Rho)z 0.9659862E-14 Laplacian 0.5337815E+00 (-1/4)Del**2(Rho)) -0.1334454E+00 Diamond 0.1016081E+01 Metallicity 0.4919982E+01 Ellipticity 0.1103183E+00 Gb(Abramov) 0.1983884E+00 Vb(Abramov) -0.2633314E+00 Hb(Abramov) -0.6494300E-01 Ex_ueg -0.5410318E-01 Ec_ueg -0.7857735E-02 Delta_ex -0.5658887E-01 Delta_ec 0.1401683E-01 Delta_et -0.1854437E+00 Pxc 0.6885340E+01 Qxc -0.4037209E+01 3,-1 91 3 -1 -2.338143 3.211684 -2.232047 Rho 0.2282030E+00 |GRAD(Rho)| 0.9400246E-15 GRAD(Rho)x -0.4690801E-15 GRAD(Rho)y 0.7810592E-15 GRAD(Rho)z -0.2314230E-15 Laplacian 0.8345116E+00 (-1/4)Del**2(Rho)) -0.2086279E+00 Diamond 0.2786509E+01 Metallicity 0.7036927E+01 Ellipticity 0.1297518E-01 Gb(Abramov) 0.3837685E+00 Vb(Abramov) -0.5589091E+00 Hb(Abramov) -0.1751406E+00 Ex_ueg -0.1029944E+00 Ec_ueg -0.1362743E-01 Delta_ex -0.9956108E-01 Delta_ec 0.1879855E-01 Delta_et -0.2602281E+00 Pxc 0.7557871E+01 Qxc -0.5296211E+01 3,-1 92 3 +1 -0.123959 2.057128 -1.649236 Rho 0.2184531E-01 |GRAD(Rho)| 0.4402989E-14 GRAD(Rho)x -0.2680392E-14 GRAD(Rho)y 0.3130450E-14 GRAD(Rho)z -0.1549869E-14 Laplacian 0.8333783E-01 (-1/4)Del**2(Rho)) -0.2083446E-01 Diamond 0.9514295E-02 Metallicity 0.1411567E+01 Ellipticity -0.4296477E+01 Gb(Abramov) 0.1879118E-01 Vb(Abramov) -0.1674789E-01 Hb(Abramov) 0.2043281E-02 Ex_ueg -0.4510203E-02 Ec_ueg -0.9312311E-03 Delta_ex -0.5060463E-02 Delta_ec 0.1521142E-02 Delta_et -0.1295295E-01 Pxc 0.4843269E+01 Qxc -0.3326754E+01 3,+1 93 3 +1 -0.811049 1.651328 0.006298 Rho 0.7222036E-02 |GRAD(Rho)| 0.9038136E-16 GRAD(Rho)x 0.4159016E-16 GRAD(Rho)y -0.4865696E-16 GRAD(Rho)z -0.6380869E-16 Laplacian 0.2930751E-01 (-1/4)Del**2(Rho)) -0.7326877E-02 Diamond 0.6396887E-03 Metallicity 0.6344543E+00 Ellipticity -0.1371433E+01 Gb(Abramov) 0.5659346E-02 Vb(Abramov) -0.3991815E-02 Hb(Abramov) 0.1667531E-02 Ex_ueg -0.1031014E-02 Ec_ueg -0.2437546E-03 Delta_ex -0.1293559E-02 Delta_ec 0.4340427E-03 Delta_et -0.2817264E-02 Pxc 0.4229721E+01 Qxc -0.2980258E+01 3,+1 94 3 -1 -0.115060 0.203331 0.512584 Rho 0.1809313E+00 |GRAD(Rho)| 0.4483666E-14 GRAD(Rho)x -0.7946224E-15 GRAD(Rho)y -0.2450269E-14 GRAD(Rho)z -0.3669880E-14 Laplacian 0.5016177E+00 (-1/4)Del**2(Rho)) -0.1254044E+00 Diamond 0.1419906E+01 Metallicity 0.7951146E+01 Ellipticity 0.9264275E-02 Gb(Abramov) 0.2497878E+00 Vb(Abramov) -0.3741711E+00 Hb(Abramov) -0.1243833E+00 Ex_ueg -0.7557937E-01 Ec_ueg -0.1045217E-01 Delta_ex -0.5757968E-01 Delta_ec 0.1416296E-01 Delta_et -0.1990084E+00 Pxc 0.7230977E+01 Qxc -0.4065511E+01 3,-1 95 3 -1 -0.101782 0.371631 2.344751 Rho 0.4973569E-01 |GRAD(Rho)| 0.2244686E-13 GRAD(Rho)x -0.1323449E-13 GRAD(Rho)y -0.1518608E-13 GRAD(Rho)z 0.9904181E-14 Laplacian 0.1854440E+00 (-1/4)Del**2(Rho)) -0.4636100E-01 Diamond 0.9295302E-01 Metallicity 0.2499466E+01 Ellipticity 0.1982313E-01 Gb(Abramov) 0.5022029E-01 Vb(Abramov) -0.5407958E-01 Hb(Abramov) -0.3859292E-02 Ex_ueg -0.1350857E-01 Ec_ueg -0.2400269E-02 Delta_ex -0.1522756E-01 Delta_ec 0.5496368E-02 Delta_et -0.5786970E-01 Pxc 0.5627938E+01 Qxc -0.2770478E+01 3,-1 96 3 +1 -0.785026 1.270182 2.233397 Rho 0.2440517E-01 |GRAD(Rho)| 0.5445750E-16 GRAD(Rho)x -0.3645983E-16 GRAD(Rho)y 0.2495535E-16 GRAD(Rho)z 0.3183600E-16 Laplacian 0.9326110E-01 (-1/4)Del**2(Rho)) -0.2331528E-01 Diamond 0.1188258E-01 Metallicity 0.1517222E+01 Ellipticity -0.4021066E+01 Gb(Abramov) 0.2143926E-01 Vb(Abramov) -0.1956324E-01 Hb(Abramov) 0.1876017E-02 Ex_ueg -0.5228305E-02 Ec_ueg -0.1058812E-02 Delta_ex -0.5772458E-02 Delta_ec 0.1599139E-02 Delta_et -0.1402872E-01 Pxc 0.4937896E+01 Qxc -0.3609728E+01 3,+1 97 3 -1 -0.806997 0.811957 3.449990 Rho 0.1243497E+00 |GRAD(Rho)| 0.8710200E-13 GRAD(Rho)x 0.2163485E-13 GRAD(Rho)y 0.8389143E-13 GRAD(Rho)z 0.8995525E-14 Laplacian 0.4847518E+00 (-1/4)Del**2(Rho)) -0.1211879E+00 Diamond 0.7950168E+00 Metallicity 0.4403873E+01 Ellipticity 0.2617529E-01 Gb(Abramov) 0.1697413E+00 Vb(Abramov) -0.2182948E+00 Hb(Abramov) -0.4855341E-01 Ex_ueg -0.4583999E-01 Ec_ueg -0.6822362E-02 Delta_ex -0.4987987E-01 Delta_ec 0.1311798E-01 Delta_et -0.1700718E+00 Pxc 0.6719080E+01 Qxc -0.3802403E+01 3,-1 98 3 -1 -0.754009 0.818778 -3.482441 Rho 0.1306209E+00 |GRAD(Rho)| 0.2513043E-12 GRAD(Rho)x -0.9144942E-13 GRAD(Rho)y -0.2258547E-12 GRAD(Rho)z 0.6148590E-13 Laplacian 0.5105191E+00 (-1/4)Del**2(Rho)) -0.1276298E+00 Diamond 0.8868599E+00 Metallicity 0.4538950E+01 Ellipticity 0.3162377E-01 Gb(Abramov) 0.1816374E+00 Vb(Abramov) -0.2356450E+00 Hb(Abramov) -0.5400761E-01 Ex_ueg -0.4894802E-01 Ec_ueg -0.7214768E-02 Delta_ex -0.5313675E-01 Delta_ec 0.1362581E-01 Delta_et -0.1780767E+00 Pxc 0.6784421E+01 Qxc -0.3899714E+01 3,-1 99 3 +1 -0.788179 1.247341 -2.255753 Rho 0.2497358E-01 |GRAD(Rho)| 0.2369826E-16 GRAD(Rho)x 0.1627750E-16 GRAD(Rho)y 0.1100129E-16 GRAD(Rho)z 0.1325226E-16 Laplacian 0.9608429E-01 (-1/4)Del**2(Rho)) -0.2402107E-01 Diamond 0.1270517E-01 Metallicity 0.1530249E+01 Ellipticity -0.4256930E+01 Gb(Abramov) 0.2214042E-01 Vb(Abramov) -0.2025976E-01 Hb(Abramov) 0.1880654E-02 Ex_ueg -0.5391291E-02 Ec_ueg -0.1087384E-02 Delta_ex -0.5991276E-02 Delta_ec 0.1660904E-02 Delta_et -0.1465024E-01 Pxc 0.4958038E+01 Qxc -0.3607239E+01 3,+1 100 3 +3 -0.017733 1.796432 -2.551899 Rho 0.1159416E-01 |GRAD(Rho)| 0.1731141E-16 GRAD(Rho)x -0.4884470E-17 GRAD(Rho)y 0.1203618E-17 GRAD(Rho)z 0.1656436E-16 Laplacian 0.5236899E-01 (-1/4)Del**2(Rho)) -0.1309225E-01 Diamond 0.1045166E-02 Metallicity 0.7815163E+00 Ellipticity -0.5247328E+00 Gb(Abramov) 0.1043347E-01 Vb(Abramov) -0.7774684E-02 Hb(Abramov) 0.2658782E-02 Ex_ueg -0.1938077E-02 Ec_ueg -0.4408667E-03 Delta_ex -0.2261536E-02 Delta_ec 0.1630396E-03 Delta_et -0.1616474E-02 Pxc 0.4396060E+01 Qxc -0.1387108E+02 3,+3 101 3 -1 -0.937629 1.612304 -1.540886 Rho 0.3588685E-01 |GRAD(Rho)| 0.6074017E-16 GRAD(Rho)x -0.5322713E-16 GRAD(Rho)y 0.2694941E-16 GRAD(Rho)z 0.1140048E-16 Laplacian 0.1309586E+00 (-1/4)Del**2(Rho)) -0.3273966E-01 Diamond 0.4101903E-01 Metallicity 0.2054492E+01 Ellipticity 0.1404642E-01 Gb(Abramov) 0.3303700E-01 Vb(Abramov) -0.3333434E-01 Hb(Abramov) -0.2973432E-03 Ex_ueg -0.8742429E-02 Ec_ueg -0.1651067E-02 Delta_ex -0.9840667E-02 Delta_ec 0.3758462E-02 Delta_et -0.3626162E-01 Pxc 0.5295016E+01 Qxc -0.2618269E+01 3,-1 102 3 +3 -0.025745 1.803120 2.543361 Rho 0.1157530E-01 |GRAD(Rho)| 0.1007805E-16 GRAD(Rho)x -0.5768179E-17 GRAD(Rho)y 0.7107172E-17 GRAD(Rho)z -0.4217027E-17 Laplacian 0.5213900E-01 (-1/4)Del**2(Rho)) -0.1303475E-01 Diamond 0.1018995E-02 Metallicity 0.7828358E+00 Ellipticity -0.5039382E+00 Gb(Abramov) 0.1039051E-01 Vb(Abramov) -0.7746273E-02 Hb(Abramov) 0.2644239E-02 Ex_ueg -0.1933873E-02 Ec_ueg -0.4399989E-03 Delta_ex -0.2244694E-02 Delta_ec 0.1519287E-03 Delta_et -0.1540101E-02 Pxc 0.4395177E+01 Qxc -0.1477465E+02 3,+3 103 3 +1 0.001514 2.015991 -2.847057 Rho 0.1215765E-01 |GRAD(Rho)| 0.5563700E-15 GRAD(Rho)x -0.5372648E-15 GRAD(Rho)y 0.1444326E-15 GRAD(Rho)z 0.5769221E-17 Laplacian 0.5655496E-01 (-1/4)Del**2(Rho)) -0.1413874E-01 Diamond 0.1991049E-02 Metallicity 0.7832340E+00 Ellipticity -0.1204869E+01 Gb(Abramov) 0.1127148E-01 Vb(Abramov) -0.8404228E-02 Hb(Abramov) 0.2867257E-02 Ex_ueg -0.2064672E-02 Ec_ueg -0.4668514E-03 Delta_ex -0.2699762E-02 Delta_ec 0.5738328E-03 Delta_et -0.4438824E-02 Pxc 0.4422546E+01 Qxc -0.4704789E+01 3,+1 104 3 +3 -0.043871 2.222618 -0.009778 Rho 0.4110916E-02 |GRAD(Rho)| 0.1735961E-15 GRAD(Rho)x -0.1326624E-16 GRAD(Rho)y -0.8609999E-16 GRAD(Rho)z -0.1501547E-15 Laplacian 0.1695162E-01 (-1/4)Del**2(Rho)) -0.4237904E-02 Diamond 0.1149986E-03 Metallicity 0.4288444E+00 Ellipticity -0.3134215E+00 Gb(Abramov) 0.3128170E-02 Vb(Abramov) -0.2018435E-02 Hb(Abramov) 0.1109735E-02 Ex_ueg -0.4863735E-03 Ec_ueg -0.1088549E-03 Delta_ex -0.5843240E-03 Delta_ec 0.1272387E-03 Delta_et -0.8186296E-03 Pxc 0.4468092E+01 Qxc -0.4592345E+01 3,+3 105 3 +1 0.140188 2.062100 1.667379 Rho 0.2065094E-01 |GRAD(Rho)| 0.1061666E-11 GRAD(Rho)x 0.9924906E-12 GRAD(Rho)y -0.3550759E-12 GRAD(Rho)z -0.1265624E-12 Laplacian 0.7721737E-01 (-1/4)Del**2(Rho)) -0.1930434E-01 Diamond 0.7786129E-02 Metallicity 0.1387174E+01 Ellipticity -0.3337187E+01 Gb(Abramov) 0.1733264E-01 Vb(Abramov) -0.1536094E-01 Hb(Abramov) 0.1971699E-02 Ex_ueg -0.4184447E-02 Ec_ueg -0.8723426E-03 Delta_ex -0.4568007E-02 Delta_ec 0.1315688E-02 Delta_et -0.1107418E-01 Pxc 0.4796793E+01 Qxc -0.3471954E+01 3,+1 106 3 -1 0.661530 0.778280 -3.438940 Rho 0.8702657E-01 |GRAD(Rho)| 0.1302139E-15 GRAD(Rho)x -0.8520813E-16 GRAD(Rho)y -0.7902817E-16 GRAD(Rho)z -0.5873496E-16 Laplacian 0.3510590E+00 (-1/4)Del**2(Rho)) -0.8776475E-01 Diamond 0.3655425E+00 Metallicity 0.3354693E+01 Ellipticity 0.1248305E-01 Gb(Abramov) 0.1075805E+00 Vb(Abramov) -0.1273962E+00 Hb(Abramov) -0.1981572E-01 Ex_ueg -0.2848312E-01 Ec_ueg -0.4546117E-02 Delta_ex -0.3305809E-01 Delta_ec 0.9954825E-02 Delta_et -0.1200294E+00 Pxc 0.6265374E+01 Qxc -0.3320811E+01 3,-1 107 3 +1 0.608158 1.078789 -2.347726 Rho 0.2372272E-01 |GRAD(Rho)| 0.1341261E-13 GRAD(Rho)x -0.1008490E-14 GRAD(Rho)y -0.3135866E-14 GRAD(Rho)z -0.1300183E-13 Laplacian 0.9341887E-01 (-1/4)Del**2(Rho)) -0.2335472E-01 Diamond 0.1218321E-01 Metallicity 0.1444728E+01 Ellipticity -0.5027282E+01 Gb(Abramov) 0.2119335E-01 Vb(Abramov) -0.1903198E-01 Hb(Abramov) 0.2161371E-02 Ex_ueg -0.5034284E-02 Ec_ueg -0.1024623E-02 Delta_ex -0.5824495E-02 Delta_ec 0.1754905E-02 Delta_et -0.1524718E-01 Pxc 0.4913306E+01 Qxc -0.3318980E+01 3,+1 108 3 -1 0.864489 1.602778 1.559472 Rho 0.3165712E-01 |GRAD(Rho)| 0.2636341E-13 GRAD(Rho)x 0.1872838E-13 GRAD(Rho)y 0.1740872E-13 GRAD(Rho)z 0.6419796E-14 Laplacian 0.1156409E+00 (-1/4)Del**2(Rho)) -0.2891023E-01 Diamond 0.2997434E-01 Metallicity 0.1887791E+01 Ellipticity 0.1113250E+00 Gb(Abramov) 0.2836957E-01 Vb(Abramov) -0.2782890E-01 Hb(Abramov) 0.5406647E-03 Ex_ueg -0.7396284E-02 Ec_ueg -0.1429396E-02 Delta_ex -0.8380260E-02 Delta_ec 0.3241220E-02 Delta_et -0.3022203E-01 Pxc 0.5174412E+01 Qxc -0.2585526E+01 3,-1 109 3 -1 1.493408 -1.877443 -2.332491 Rho 0.1425227E+00 |GRAD(Rho)| 0.1707277E-15 GRAD(Rho)x -0.5687996E-16 GRAD(Rho)y -0.1604755E-15 GRAD(Rho)z -0.1265806E-16 Laplacian 0.5906610E+00 (-1/4)Del**2(Rho)) -0.1476652E+00 Diamond 0.1135246E+01 Metallicity 0.4536787E+01 Ellipticity 0.4359430E-02 Gb(Abramov) 0.2100978E+00 Vb(Abramov) -0.2725303E+00 Hb(Abramov) -0.6243255E-01 Ex_ueg -0.5498327E-01 Ec_ueg -0.7966592E-02 Delta_ex -0.6274392E-01 Delta_ec 0.1535894E-01 Delta_et -0.2033538E+00 Pxc 0.6901730E+01 Qxc -0.4085173E+01 3,-1 110 3 -1 1.447964 -1.827353 -0.849268 Rho 0.4731775E-01 |GRAD(Rho)| 0.1601722E-12 GRAD(Rho)x 0.4104941E-13 GRAD(Rho)y -0.1094098E-12 GRAD(Rho)z -0.1095426E-12 Laplacian 0.1775066E+00 (-1/4)Del**2(Rho)) -0.4437664E-01 Diamond 0.8289279E-01 Metallicity 0.2403102E+01 Ellipticity 0.2529848E-01 Gb(Abramov) 0.4735802E-01 Vb(Abramov) -0.5033941E-01 Hb(Abramov) -0.2981384E-02 Ex_ueg -0.1264010E-01 Ec_ueg -0.2267154E-02 Delta_ex -0.1438251E-01 Delta_ec 0.5242137E-02 Delta_et -0.5447210E-01 Pxc 0.5575315E+01 Qxc -0.2743635E+01 3,-1 111 3 -1 1.458631 -1.810410 0.839376 Rho 0.4781634E-01 |GRAD(Rho)| 0.2980250E-15 GRAD(Rho)x -0.7322600E-16 GRAD(Rho)y 0.1069261E-15 GRAD(Rho)z -0.2683722E-15 Laplacian 0.1792959E+00 (-1/4)Del**2(Rho)) -0.4482398E-01 Diamond 0.8495445E-01 Metallicity 0.2421047E+01 Ellipticity 0.2218814E-01 Gb(Abramov) 0.4796948E-01 Vb(Abramov) -0.5111498E-01 Hb(Abramov) -0.3145503E-02 Ex_ueg -0.1281800E-01 Ec_ueg -0.2294529E-02 Delta_ex -0.1456692E-01 Delta_ec 0.5296547E-02 Delta_et -0.5518960E-01 Pxc 0.5586329E+01 Qxc -0.2750268E+01 3,-1 112 3 -1 1.500886 -1.849009 2.334104 Rho 0.1404543E+00 |GRAD(Rho)| 0.1361283E-14 GRAD(Rho)x -0.4124237E-15 GRAD(Rho)y -0.1223603E-14 GRAD(Rho)z -0.4310381E-15 Laplacian 0.5829763E+00 (-1/4)Del**2(Rho)) -0.1457441E+00 Diamond 0.1101521E+01 Metallicity 0.4485946E+01 Ellipticity 0.4182569E-02 Gb(Abramov) 0.2061294E+00 Vb(Abramov) -0.2665147E+00 Hb(Abramov) -0.6038532E-01 Ex_ueg -0.5392190E-01 Ec_ueg -0.7835281E-02 Delta_ex -0.6171372E-01 Delta_ec 0.1522373E-01 Delta_et -0.2011393E+00 Pxc 0.6881935E+01 Qxc -0.4053784E+01 3,-1 113 3 +3 1.755600 -0.033498 1.549936 Rho 0.3642621E-02 |GRAD(Rho)| 0.1495152E-14 GRAD(Rho)x -0.1400741E-14 GRAD(Rho)y 0.4487157E-15 GRAD(Rho)z -0.2684367E-15 Laplacian 0.1508289E-01 (-1/4)Del**2(Rho)) -0.3770722E-02 Diamond 0.1004371E-03 Metallicity 0.3939901E+00 Ellipticity -0.1765633E+00 Gb(Abramov) 0.2761419E-02 Vb(Abramov) -0.1752116E-02 Hb(Abramov) 0.1009303E-02 Ex_ueg -0.4139396E-03 Ec_ueg -0.8897522E-04 Delta_ex -0.5231562E-03 Delta_ec 0.1476098E-03 Delta_et -0.8640740E-03 Pxc 0.4652302E+01 Qxc -0.3544183E+01 3,+3 114 3 -1 -1.728735 2.795622 -0.867522 Rho 0.1324432E+00 |GRAD(Rho)| 0.6192477E-12 GRAD(Rho)x -0.9054512E-13 GRAD(Rho)y -0.1359154E-12 GRAD(Rho)z -0.5973243E-12 Laplacian 0.5461500E+00 (-1/4)Del**2(Rho)) -0.1365375E+00 Diamond 0.9624773E+00 Metallicity 0.4341943E+01 Ellipticity 0.1056429E-01 Gb(Abramov) 0.1898314E+00 Vb(Abramov) -0.2431252E+00 Hb(Abramov) -0.5329385E-01 Ex_ueg -0.4986067E-01 Ec_ueg -0.7329288E-02 Delta_ex -0.5700920E-01 Delta_ec 0.1448254E-01 Delta_et -0.1896169E+00 Pxc 0.6802934E+01 Qxc -0.3936409E+01 3,-1 115 3 -1 -1.674503 2.850580 0.874449 Rho 0.1459304E+00 |GRAD(Rho)| 0.7986678E-14 GRAD(Rho)x -0.2819578E-15 GRAD(Rho)y -0.5061666E-15 GRAD(Rho)z 0.7965633E-14 Laplacian 0.6070103E+00 (-1/4)Del**2(Rho)) -0.1517526E+00 Diamond 0.1190454E+01 Metallicity 0.4591911E+01 Ellipticity 0.1800428E-01 Gb(Abramov) 0.2173074E+00 Vb(Abramov) -0.2828623E+00 Hb(Abramov) -0.6555485E-01 Ex_ueg -0.5674306E-01 Ec_ueg -0.8183512E-02 Delta_ex -0.6475205E-01 Delta_ec 0.1551237E-01 Delta_et -0.2057115E+00 Pxc 0.6933828E+01 Qxc -0.4174221E+01 3,-1 116 3 +1 -0.028845 2.028182 2.858599 Rho 0.1222734E-01 |GRAD(Rho)| 0.3200483E-13 GRAD(Rho)x 0.2811376E-13 GRAD(Rho)y 0.6697842E-14 GRAD(Rho)z -0.1375006E-13 Laplacian 0.5713517E-01 (-1/4)Del**2(Rho)) -0.1428379E-01 Diamond 0.2033733E-02 Metallicity 0.7827013E+00 Ellipticity -0.1205777E+01 Gb(Abramov) 0.1138585E-01 Vb(Abramov) -0.8487912E-02 Hb(Abramov) 0.2897940E-02 Ex_ueg -0.2080467E-02 Ec_ueg -0.4700738E-03 Delta_ex -0.2733508E-02 Delta_ec 0.5829165E-03 Delta_et -0.4511716E-02 Pxc 0.4425831E+01 Qxc -0.4689364E+01 3,+1 117 3 -1 -0.849305 2.951218 -1.955062 Rho 0.1085866E+00 |GRAD(Rho)| 0.4078882E-13 GRAD(Rho)x 0.3685478E-13 GRAD(Rho)y 0.1710666E-13 GRAD(Rho)z -0.3579865E-14 Laplacian 0.4403147E+00 (-1/4)Del**2(Rho)) -0.1100787E+00 Diamond 0.6012527E+00 Metallicity 0.3867915E+01 Ellipticity 0.9356513E-02 Gb(Abramov) 0.1443483E+00 Vb(Abramov) -0.1786179E+00 Hb(Abramov) -0.3426960E-01 Ex_ueg -0.3826073E-01 Ec_ueg -0.5848069E-02 Delta_ex -0.4369112E-01 Delta_ec 0.1195721E-01 Delta_et -0.1507811E+00 Pxc 0.6542456E+01 Qxc -0.3653958E+01 3,-1 118 3 +1 -0.025148 3.004289 -0.138408 Rho 0.5588962E-02 |GRAD(Rho)| 0.1301855E-15 GRAD(Rho)x 0.4516677E-17 GRAD(Rho)y 0.1208958E-16 GRAD(Rho)z -0.1295442E-15 Laplacian 0.2309053E-01 (-1/4)Del**2(Rho)) -0.5772633E-02 Diamond 0.6420209E-03 Metallicity 0.5252885E+00 Ellipticity -0.3849425E+01 Gb(Abramov) 0.4353805E-02 Vb(Abramov) -0.2934977E-02 Hb(Abramov) 0.1418828E-02 Ex_ueg -0.7325321E-03 Ec_ueg -0.1723456E-03 Delta_ex -0.1186439E-02 Delta_ec 0.7507728E-03 Delta_et -0.4206385E-02 Pxc 0.4250366E+01 Qxc -0.1580290E+01 3,+1 119 3 -1 -0.777745 3.028135 1.985946 Rho 0.1583809E+00 |GRAD(Rho)| 0.4902270E-16 GRAD(Rho)x -0.1122149E-16 GRAD(Rho)y 0.9825582E-17 GRAD(Rho)z 0.4669862E-16 Laplacian 0.6414169E+00 (-1/4)Del**2(Rho)) -0.1603542E+00 Diamond 0.1379323E+01 Metallicity 0.4980935E+01 Ellipticity 0.5072516E-01 Gb(Abramov) 0.2400218E+00 Vb(Abramov) -0.3196894E+00 Hb(Abramov) -0.7966759E-01 Ex_ueg -0.6328812E-01 Ec_ueg -0.8982155E-02 Delta_ex -0.6973612E-01 Delta_ec 0.1591825E-01 Delta_et -0.2131179E+00 Pxc 0.7045985E+01 Qxc -0.4380892E+01 3,-1 120 3 -1 -0.056264 -0.085423 4.455375 Rho 0.2245421E+00 |GRAD(Rho)| 0.1117680E-14 GRAD(Rho)x 0.1531436E-15 GRAD(Rho)y -0.8273140E-16 GRAD(Rho)z 0.1104043E-14 Laplacian 0.8339180E+00 (-1/4)Del**2(Rho)) -0.2084795E+00 Diamond 0.2724281E+01 Metallicity 0.6854663E+01 Ellipticity 0.2079297E-01 Gb(Abramov) 0.3771624E+00 Vb(Abramov) -0.5458454E+00 Hb(Abramov) -0.1686829E+00 Ex_ueg -0.1007973E+00 Ec_ueg -0.1337710E-01 Delta_ex -0.9903568E-01 Delta_ec 0.1880435E-01 Delta_et -0.2598161E+00 Pxc 0.7535060E+01 Qxc -0.5266637E+01 3,-1 121 3 -1 -0.000383 -0.082506 -4.476541 Rho 0.2247009E+00 |GRAD(Rho)| 0.1192015E-14 GRAD(Rho)x 0.8912142E-16 GRAD(Rho)y -0.5233308E-16 GRAD(Rho)z -0.1187527E-14 Laplacian 0.8330242E+00 (-1/4)Del**2(Rho)) -0.2082561E+00 Diamond 0.2724375E+01 Metallicity 0.6870106E+01 Ellipticity 0.1939780E-01 Gb(Abramov) 0.3772942E+00 Vb(Abramov) -0.5463324E+00 Hb(Abramov) -0.1690382E+00 Ex_ueg -0.1008923E+00 Ec_ueg -0.1338794E-01 Delta_ex -0.9895172E-01 Delta_ec 0.1878763E-01 Delta_et -0.2596241E+00 Pxc 0.7536057E+01 Qxc -0.5266854E+01 3,-1 122 3 -1 -0.099780 0.370438 -2.358688 Rho 0.4792522E-01 |GRAD(Rho)| 0.6646504E-14 GRAD(Rho)x -0.3956587E-15 GRAD(Rho)y 0.4032461E-14 GRAD(Rho)z 0.5268655E-14 Laplacian 0.1791284E+00 (-1/4)Del**2(Rho)) -0.4478209E-01 Diamond 0.8532867E-01 Metallicity 0.2432516E+01 Ellipticity 0.1936609E-01 Gb(Abramov) 0.4801025E-01 Vb(Abramov) -0.5123841E-01 Hb(Abramov) -0.3228162E-02 Ex_ueg -0.1285693E-01 Ec_ueg -0.2300513E-02 Delta_ex -0.1457034E-01 Delta_ec 0.5307038E-02 Delta_et -0.5533580E-01 Pxc 0.5588723E+01 Qxc -0.2745474E+01 3,-1 123 3 -1 -0.126887 0.201527 -0.512885 Rho 0.1811889E+00 |GRAD(Rho)| 0.2908333E-15 GRAD(Rho)x -0.3402065E-16 GRAD(Rho)y -0.2637641E-15 GRAD(Rho)z 0.1177076E-15 Laplacian 0.5052534E+00 (-1/4)Del**2(Rho)) -0.1263134E+00 Diamond 0.1434175E+01 Metallicity 0.7912675E+01 Ellipticity 0.7111904E-02 Gb(Abramov) 0.2507883E+00 Vb(Abramov) -0.3752633E+00 Hb(Abramov) -0.1244750E+00 Ex_ueg -0.7572291E-01 Ec_ueg -0.1046913E-01 Delta_ex -0.5802904E-01 Delta_ec 0.1428180E-01 Delta_et -0.2007747E+00 Pxc 0.7232969E+01 Qxc -0.4063145E+01 3,-1 124 3 -1 2.288045 -3.194252 -2.310559 Rho 0.2247508E+00 |GRAD(Rho)| 0.8003461E-15 GRAD(Rho)x 0.2464392E-15 GRAD(Rho)y -0.7329749E-15 GRAD(Rho)z -0.2063237E-15 Laplacian 0.8321853E+00 (-1/4)Del**2(Rho)) -0.2080463E+00 Diamond 0.2722561E+01 Metallicity 0.6879581E+01 Ellipticity 0.1833782E-01 Gb(Abramov) 0.3772428E+00 Vb(Abramov) -0.5464393E+00 Hb(Abramov) -0.1691965E+00 Ex_ueg -0.1009222E+00 Ec_ueg -0.1339136E-01 Delta_ex -0.9885893E-01 Delta_ec 0.1876961E-01 Delta_et -0.2593865E+00 Pxc 0.7536371E+01 Qxc -0.5266968E+01 3,-1 125 3 -1 2.092812 -3.002142 0.795855 Rho 0.1368156E+00 |GRAD(Rho)| 0.3554978E-15 GRAD(Rho)x -0.4424222E-16 GRAD(Rho)y 0.1703688E-15 GRAD(Rho)z 0.3088621E-15 Laplacian 0.5313169E+00 (-1/4)Del**2(Rho)) -0.1328292E+00 Diamond 0.9762990E+00 Metallicity 0.4711427E+01 Ellipticity 0.3534360E-01 Gb(Abramov) 0.1928553E+00 Vb(Abramov) -0.2528815E+00 Hb(Abramov) -0.6002612E-01 Ex_ueg -0.5206742E-01 Ec_ueg -0.7604944E-02 Delta_ex -0.5592807E-01 Delta_ec 0.1403431E-01 Delta_et -0.1848131E+00 Pxc 0.6846523E+01 Qxc -0.3985094E+01 3,-1 126 3 -1 2.082507 -3.018116 -0.798236 Rho 0.1394637E+00 |GRAD(Rho)| 0.2385291E-13 GRAD(Rho)x -0.5776738E-14 GRAD(Rho)y 0.1953407E-14 GRAD(Rho)z -0.2306025E-13 Laplacian 0.5420469E+00 (-1/4)Del**2(Rho)) -0.1355117E+00 Diamond 0.1018521E+01 Metallicity 0.4768096E+01 Ellipticity 0.3760972E-01 Gb(Abramov) 0.1980300E+00 Vb(Abramov) -0.2605482E+00 Hb(Abramov) -0.6251825E-01 Ex_ueg -0.5341543E-01 Ec_ueg -0.7772490E-02 Delta_ex -0.5731539E-01 Delta_ec 0.1423812E-01 Delta_et -0.1880333E+00 Pxc 0.6872370E+01 Qxc -0.4025489E+01 3,-1 127 3 -1 2.322309 -3.149586 2.308668 Rho 0.2248112E+00 |GRAD(Rho)| 0.2625392E-13 GRAD(Rho)x -0.2504865E-13 GRAD(Rho)y -0.5643164E-14 GRAD(Rho)z -0.5476143E-14 Laplacian 0.8329029E+00 (-1/4)Del**2(Rho)) -0.2082257E+00 Diamond 0.2726050E+01 Metallicity 0.6876730E+01 Ellipticity 0.1921084E-01 Gb(Abramov) 0.3774692E+00 Vb(Abramov) -0.5467126E+00 Hb(Abramov) -0.1692434E+00 Ex_ueg -0.1009584E+00 Ec_ueg -0.1339548E-01 Delta_ex -0.9895258E-01 Delta_ec 0.1878704E-01 Delta_et -0.2596420E+00 Pxc 0.7536750E+01 Qxc -0.5267065E+01 3,-1 128 3 -1 3.315894 0.570694 -0.669012 Rho 0.1252525E+00 |GRAD(Rho)| 0.5010169E-12 GRAD(Rho)x -0.1980864E-12 GRAD(Rho)y 0.3497135E-12 GRAD(Rho)z -0.2991324E-12 Laplacian 0.5231757E+00 (-1/4)Del**2(Rho)) -0.1307939E+00 Diamond 0.8452717E+00 Metallicity 0.4129933E+01 Ellipticity 0.1155379E-01 Gb(Abramov) 0.1772243E+00 Vb(Abramov) -0.2236547E+00 Hb(Abramov) -0.4643039E-01 Ex_ueg -0.4628430E-01 Ec_ueg -0.6878692E-02 Delta_ex -0.5367005E-01 Delta_ec 0.1367567E-01 Delta_et -0.1767321E+00 Pxc 0.6728647E+01 Qxc -0.3924492E+01 3,-1 129 3 -1 3.367127 0.575723 0.675827 Rho 0.9484614E-01 |GRAD(Rho)| 0.2905010E-15 GRAD(Rho)x 0.3125552E-17 GRAD(Rho)y 0.2662055E-15 GRAD(Rho)z 0.1162570E-15 Laplacian 0.3941032E+00 (-1/4)Del**2(Rho)) -0.9852580E-01 Diamond 0.4578731E+00 Metallicity 0.3449075E+01 Ellipticity 0.7754369E-02 Gb(Abramov) 0.1223210E+00 Vb(Abramov) -0.1461162E+00 Hb(Abramov) -0.2379521E-01 Ex_ueg -0.3194562E-01 Ec_ueg -0.5013922E-02 Delta_ex -0.3790185E-01 Delta_ec 0.1105337E-01 Delta_et -0.1357757E+00 Pxc 0.6371384E+01 Qxc -0.3428985E+01 3,-1 130 3 -1 -1.546331 1.988250 -2.706371 Rho 0.1451575E+00 |GRAD(Rho)| 0.1434276E-13 GRAD(Rho)x -0.7981937E-14 GRAD(Rho)y 0.1191351E-13 GRAD(Rho)z 0.2675540E-15 Laplacian 0.5711552E+00 (-1/4)Del**2(Rho)) -0.1427888E+00 Diamond 0.1121021E+01 Metallicity 0.4837172E+01 Ellipticity 0.4342906E-01 Gb(Abramov) 0.2103082E+00 Vb(Abramov) -0.2778276E+00 Hb(Abramov) -0.6751939E-01 Ex_ueg -0.5634271E-01 Ec_ueg -0.8134249E-02 Delta_ex -0.6093144E-01 Delta_ec 0.1476397E-01 Delta_et -0.1959638E+00 Pxc 0.6926603E+01 Qxc -0.4127037E+01 3,-1 131 3 -1 0.851657 2.955429 1.989138 Rho 0.1154395E+00 |GRAD(Rho)| 0.2861286E-15 GRAD(Rho)x 0.1973248E-15 GRAD(Rho)y -0.2039045E-15 GRAD(Rho)z -0.3681629E-16 Laplacian 0.4624930E+00 (-1/4)Del**2(Rho)) -0.1156233E+00 Diamond 0.6878739E+00 Metallicity 0.4077860E+01 Ellipticity 0.7715034E-02 Gb(Abramov) 0.1556647E+00 Vb(Abramov) -0.1957062E+00 Hb(Abramov) -0.4004148E-01 Ex_ueg -0.4151367E-01 Ec_ueg -0.6269463E-02 Delta_ex -0.4667547E-01 Delta_ec 0.1258751E-01 Delta_et -0.1608278E+00 Pxc 0.6621568E+01 Qxc -0.3708078E+01 3,-1 132 3 -1 1.517215 1.963945 -2.668600 Rho 0.1745727E+00 |GRAD(Rho)| 0.3591198E-15 GRAD(Rho)x -0.4478433E-16 GRAD(Rho)y 0.2646538E-15 GRAD(Rho)z -0.2385787E-15 Laplacian 0.6776579E+00 (-1/4)Del**2(Rho)) -0.1694145E+00 Diamond 0.1646649E+01 Metallicity 0.5544936E+01 Ellipticity 0.4042366E-01 Gb(Abramov) 0.2695084E+00 Vb(Abramov) -0.3696023E+00 Hb(Abramov) -0.1000939E+00 Ex_ueg -0.7205876E-01 Ec_ueg -0.1003466E-01 Delta_ex -0.7555858E-01 Delta_ec 0.1652753E-01 Delta_et -0.2241975E+00 Pxc 0.7180985E+01 Qxc -0.4571681E+01 3,-1 133 3 -1 2.369506 1.823764 -1.521780 Rho 0.1416250E+00 |GRAD(Rho)| 0.1772127E-15 GRAD(Rho)x -0.2805373E-17 GRAD(Rho)y 0.1550274E-15 GRAD(Rho)z -0.8580783E-16 Laplacian 0.5947065E+00 (-1/4)Del**2(Rho)) -0.1486766E+00 Diamond 0.1127069E+01 Metallicity 0.4458723E+01 Ellipticity 0.1422794E-01 Gb(Abramov) 0.2096024E+00 Vb(Abramov) -0.2705282E+00 Hb(Abramov) -0.6092577E-01 Ex_ueg -0.5452199E-01 Ec_ueg -0.7909569E-02 Delta_ex -0.6299796E-01 Delta_ec 0.1534756E-01 Delta_et -0.2027153E+00 Pxc 0.6893168E+01 Qxc -0.4104753E+01 3,-1 134 3 -1 2.473218 1.808513 1.587159 Rho 0.1740168E+00 |GRAD(Rho)| 0.3336427E-15 GRAD(Rho)x -0.2482823E-16 GRAD(Rho)y -0.3214388E-15 GRAD(Rho)z -0.8589592E-16 Laplacian 0.7194136E+00 (-1/4)Del**2(Rho)) -0.1798534E+00 Diamond 0.1732283E+01 Metallicity 0.5195413E+01 Ellipticity 0.3239563E-01 Gb(Abramov) 0.2756377E+00 Vb(Abramov) -0.3714220E+00 Hb(Abramov) -0.9578430E-01 Ex_ueg -0.7175301E-01 Ec_ueg -0.9998276E-02 Delta_ex -0.8007549E-01 Delta_ec 0.1742707E-01 Delta_et -0.2359355E+00 Pxc 0.7176538E+01 Qxc -0.4594892E+01 3,-1 135 3 -1 1.525548 1.958778 2.697396 Rho 0.1721664E+00 |GRAD(Rho)| 0.2612716E-15 GRAD(Rho)x -0.9160153E-16 GRAD(Rho)y -0.1041376E-15 GRAD(Rho)z 0.2214212E-15 Laplacian 0.6670366E+00 (-1/4)Del**2(Rho)) -0.1667592E+00 Diamond 0.1593018E+01 Metallicity 0.5504411E+01 Ellipticity 0.4000628E-01 Gb(Abramov) 0.2641579E+00 Vb(Abramov) -0.3615567E+00 Hb(Abramov) -0.9739877E-01 Ex_ueg -0.7073749E-01 Ec_ueg -0.9877275E-02 Delta_ex -0.7410763E-01 Delta_ec 0.1631209E-01 Delta_et -0.2208877E+00 Pxc 0.7161640E+01 Qxc -0.4543110E+01 3,-1 136 3 -1 -1.528024 2.039639 2.691444 Rho 0.1511669E+00 |GRAD(Rho)| 0.2981239E-15 GRAD(Rho)x -0.5713745E-16 GRAD(Rho)y -0.4403216E-16 GRAD(Rho)z -0.2892651E-15 Laplacian 0.6021369E+00 (-1/4)Del**2(Rho)) -0.1505342E+00 Diamond 0.1235278E+01 Metallicity 0.4909219E+01 Ellipticity 0.4998640E-01 Gb(Abramov) 0.2235238E+00 Vb(Abramov) -0.2965133E+00 Hb(Abramov) -0.7298952E-01 Ex_ueg -0.5947403E-01 Ec_ueg -0.8518255E-02 Delta_ex -0.6482305E-01 Delta_ec 0.1531221E-01 Delta_et -0.2042039E+00 Pxc 0.6981950E+01 Qxc -0.4233422E+01 3,-1 137 3 -1 -2.244615 3.311380 2.239731 Rho 0.2329135E+00 |GRAD(Rho)| 0.4175777E-15 GRAD(Rho)x 0.3365906E-15 GRAD(Rho)y -0.2434576E-15 GRAD(Rho)z -0.4250073E-16 Laplacian 0.8456890E+00 (-1/4)Del**2(Rho)) -0.2114223E+00 Diamond 0.2894005E+01 Metallicity 0.7184453E+01 Ellipticity 0.3689916E-02 Gb(Abramov) 0.3941070E+00 Vb(Abramov) -0.5767918E+00 Hb(Abramov) -0.1826848E+00 Ex_ueg -0.1058387E+00 Ec_ueg -0.1395062E-01 Delta_ex -0.1014310E+00 Delta_ec 0.1893664E-01 Delta_et -0.2623853E+00 Pxc 0.7586669E+01 Qxc -0.5356333E+01 3,-1 138 3 -1 -0.676279 -0.533852 0.005805 Rho 0.2310858E+00 |GRAD(Rho)| 0.2126639E-14 GRAD(Rho)x 0.1642493E-14 GRAD(Rho)y 0.1336701E-14 GRAD(Rho)z 0.1950456E-15 Laplacian 0.1089488E+01 (-1/4)Del**2(Rho)) -0.2723719E+00 Diamond 0.3807579E+01 Metallicity 0.5504016E+01 Ellipticity 0.6829117E-02 Gb(Abramov) 0.4314378E+00 Vb(Abramov) -0.5905038E+00 Hb(Abramov) -0.1590659E+00 Ex_ueg -0.1047328E+00 Ec_ueg -0.1382508E-01 Delta_ex -0.1310453E+00 Delta_ec 0.2559583E-01 Delta_et -0.3593197E+00 Pxc 0.7575568E+01 Qxc -0.5119792E+01 3,-1 139 3 -1 0.790143 2.968889 -1.956195 Rho 0.1591335E+00 |GRAD(Rho)| 0.3691710E-13 GRAD(Rho)x -0.3144173E-13 GRAD(Rho)y -0.1672965E-13 GRAD(Rho)z 0.9716423E-14 Laplacian 0.6281852E+00 (-1/4)Del**2(Rho)) -0.1570463E+00 Diamond 0.1368734E+01 Metallicity 0.5126192E+01 Ellipticity 0.3458329E-01 Gb(Abramov) 0.2388724E+00 Vb(Abramov) -0.3206986E+00 Hb(Abramov) -0.8182615E-01 Ex_ueg -0.6368941E-01 Ec_ueg -0.9030731E-02 Delta_ex -0.6847137E-01 Delta_ec 0.1573801E-01 Delta_et -0.2112542E+00 Pxc 0.7052520E+01 Qxc -0.4350701E+01 3,-1 140 3 +1 -2.305878 0.362548 -0.130413 Rho 0.6067559E-02 |GRAD(Rho)| 0.6363852E-17 GRAD(Rho)x -0.6356135E-17 GRAD(Rho)y 0.1541600E-18 GRAD(Rho)z 0.2727446E-18 Laplacian 0.2227878E-01 (-1/4)Del**2(Rho)) -0.5569696E-02 Diamond 0.5064605E-03 Metallicity 0.6243264E+00 Ellipticity -0.1905770E+01 Gb(Abramov) 0.4292682E-02 Vb(Abramov) -0.3015668E-02 Hb(Abramov) 0.1277014E-02 Ex_ueg -0.8173418E-03 Ec_ueg -0.1931396E-03 Delta_ex -0.1030240E-02 Delta_ec 0.4869263E-03 Delta_et -0.2886818E-02 Pxc 0.4231871E+01 Qxc -0.2115802E+01 3,+1 141 3 -1 0.960698 -3.065512 1.719838 Rho 0.2277822E+00 |GRAD(Rho)| 0.9455677E-15 GRAD(Rho)x 0.8879616E-15 GRAD(Rho)y 0.3249896E-15 GRAD(Rho)z 0.2043467E-17 Laplacian 0.8839367E+00 (-1/4)Del**2(Rho)) -0.2209842E+00 Diamond 0.2903910E+01 Metallicity 0.6623052E+01 Ellipticity 0.9091587E-02 Gb(Abramov) 0.3912544E+00 Vb(Abramov) -0.5615246E+00 Hb(Abramov) -0.1702702E+00 Ex_ueg -0.1027412E+00 Ec_ueg -0.1359862E-01 Delta_ex -0.1051727E+00 Delta_ec 0.1950389E-01 Delta_et -0.2682466E+00 Pxc 0.7555268E+01 Qxc -0.5392399E+01 3,-1 142 3 -1 0.933020 -3.089151 -1.714149 Rho 0.2287664E+00 |GRAD(Rho)| 0.8879423E-13 GRAD(Rho)x 0.7235814E-13 GRAD(Rho)y -0.2477163E-13 GRAD(Rho)z -0.4511188E-13 Laplacian 0.8832721E+00 (-1/4)Del**2(Rho)) -0.2208180E+00 Diamond 0.2920433E+01 Metallicity 0.6675838E+01 Ellipticity 0.8370902E-02 Gb(Abramov) 0.3929029E+00 Vb(Abramov) -0.5649878E+00 Hb(Abramov) -0.1720849E+00 Ex_ueg -0.1033336E+00 Ec_ueg -0.1366603E-01 Delta_ex -0.1052322E+00 Delta_ec 0.1950129E-01 Delta_et -0.2684119E+00 Pxc 0.7561347E+01 Qxc -0.5396168E+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 62 111 112 141 77 125 127 124 101 85 114 130 117 91 108 134 70 135 131 73 110 109 142 75 126 72 52 133 69 132 139 137 89 90 115 136 119 95 55 63 97 59 120 84 128 129 80 81 83 122 64 51 121 106 98 65 49 46 47 138 123 94 48 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 23 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 23 36 36 36 45 2.396782 1.938041 1.762254 2.173209 1.960646 1.768419 1.768541 2.523156 1.795479 1.963324 1.935406 2.052600 1.762647 2.574315 1.857094 1.927205 1.872174 2.026052 1.761621 2.400964 1.932509 1.760590 2.199507 1.952960 1.762094 2.547837 1.936036 1.965726 1.866231 1.900476 1.754828 2.547799 1.957301 1.924567 1.919212 1.900169 2.382460 1.761803 1.932999 1.997455 2.136217 1.768888 2.696828 1.961517 2.074443 1.836473 1.849561 1.756566 2.396984 1.938590 1.763280 1.768590 2.143653 1.977683 1.614745 3.193941 3.171639 3.189820 1.492703 1.610439 1.611288 1.701303 2.398217 1.938455 1.762285 2.173715 1.961157 1.768434 1.768558 2.524225 1.795614 1.963645 1.935954 2.053085 1.762675 2.575411 1.857522 1.927601 1.872616 2.026488 1.761631 2.402373 1.932918 1.760611 2.199980 1.953472 1.762107 2.548960 1.936549 1.966149 1.866614 1.900889 1.754833 2.548913 1.958214 1.925097 1.919743 1.900688 2.383720 1.761853 1.933392 1.998023 2.136655 1.768902 2.697805 1.962191 2.075046 1.836887 1.850116 1.756600 2.398316 1.938976 1.763325 1.768609 2.144170 1.978227 1.614756 3.235016 3.210413 3.209911 1.492705 1.610466 1.611309 1.705386 27 26 22 25 23 23 22 29 26 23 24 24 22 29 22 23 22 25 23 27 25 22 25 23 21 29 25 23 23 23 21 31 23 23 23 25 27 24 24 24 25 23 31 23 25 22 22 23 27 24 24 23 27 25 21 35 35 35 21 21 23 25 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 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 2.3280 -0.8766 2.3438 2.4160 2.3244 2.4108 2.4036 -0.8718 -0.8486 2.3467 2.1955 2.3387 -1.0560 -0.8856 -1.0517 -1.0485 -0.8235 -0.9922 -0.8303 -0.9543 -0.8291 -0.9454 -0.8826 -0.9923 -0.9831 -0.8284 -0.9780 -0.8280 -0.9144 -0.8770 -0.9849 -1.0005 -0.9256 -1.0119 -0.9930 2.1295 -0.8758 -0.9888 -1.0144 -0.9991 -0.8756 -0.8092 -0.8672 -0.8700 0.2768 2.1387 1.9507 2.1270 2.0988 2.1394 2.1020 2.1131 1.9518 1.9550 2.1330 2.0030 2.1342 1.8999 1.9043 1.8989 1.8990 1.9543 1.9285 1.8725 1.9301 1.9539 1.9333 1.9507 1.9284 1.9279 1.9538 1.9290 1.9542 1.9471 1.9507 1.9387 1.9363 1.9452 1.9349 1.9384 2.5691 1.9507 1.9357 1.9367 1.9353 1.9508 1.9625 1.9525 1.9527 0.5627 6.1163 4.8951 6.1228 6.0985 6.1168 6.0994 6.1139 4.8884 4.8609 6.1136 6.1146 6.1165 5.1205 4.9425 5.1168 5.1138 4.8372 5.0344 4.9281 4.9980 4.8434 4.9837 4.9003 5.0345 5.0253 4.8428 5.0201 4.8419 4.9397 4.8956 5.0172 5.0335 4.9535 5.0460 5.0259 7.4964 4.8945 5.0224 5.0461 5.0348 4.8940 4.8177 4.8831 4.8856 0.1605 3.3880 0.0308 3.3772 3.3569 3.3905 3.3579 3.3400 0.0317 0.0326 3.3777 3.6869 3.3816 0.0357 0.0388 0.0360 0.0357 0.0320 0.0293 0.0297 0.0263 0.0318 0.0284 0.0316 0.0295 0.0299 0.0318 0.0289 0.0320 0.0276 0.0307 0.0290 0.0307 0.0268 0.0310 0.0287 0.8050 0.0307 0.0307 0.0316 0.0291 0.0308 0.0291 0.0316 0.0318 0.0000 14.0290 0.0000 14.0292 14.0298 14.0289 14.0299 14.0294 0.0000 0.0000 14.0291 0.0000 14.0291 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 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 2.478028 -0.931786 2.479495 2.491837 2.475650 2.497605 2.501903 -0.925796 -0.900762 2.482308 3.155551 2.480873 -1.051046 -0.950571 -1.032517 -1.032725 -0.888217 -0.993019 -0.678861 -1.112772 -0.894814 -1.072195 -0.856863 -0.993295 -0.985280 -0.894335 -0.996596 -0.892925 -1.126249 -0.933990 -0.999404 -0.986524 -1.128870 -0.999204 -1.003350 1.984273 -0.932795 -0.991598 -0.997231 -1.005899 -0.930903 -1.092859 -0.922905 -0.922578 0.031210 1.946337 -0.853242 1.925438 1.926366 1.946735 1.926686 1.947110 -0.850125 -0.810002 1.946104 2.340771 1.943100 -0.752385 -0.848959 -0.718734 -0.719720 -0.793645 -0.715565 -0.846115 -0.843627 -0.805373 -0.850877 -0.781426 -0.717440 -0.738431 -0.802758 -0.742005 -0.800846 -0.930595 -0.860561 -0.846825 -0.794466 -0.931471 -0.815577 -0.846121 1.639203 -0.859627 -0.818500 -0.812018 -0.840723 -0.852935 -0.896189 -0.843270 -0.843578 0.295881 2.037339 -0.827666 2.039283 2.037200 2.035748 2.040478 2.060545 -0.816996 -0.794070 2.030019 2.431793 2.030825 -0.823897 -0.804426 -0.799173 -0.810956 -0.791439 -0.805353 -0.861905 -0.939954 -0.802714 -0.924194 -0.829633 -0.806815 -0.836992 -0.803251 -0.835151 -0.800470 -0.941571 -0.839427 -0.869858 -0.845590 -0.945634 -0.873803 -0.876930 1.593799 -0.838787 -0.855666 -0.890726 -0.866394 -0.826952 -0.866113 -0.820476 -0.809339 0.345294 -20.46434081 -10.04488847 0.72225932 22.80812767 43.09532987 55.90449157 -1.21979444 -1.16162724 1.29366059 -41.93370262 -315.2918 350.1372 3.5128 -359.0898 -80.0418 -400.7735 Mar20-2024 20:01:22 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 0 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Mar20-2024 20:01:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar20-2024 20:01:24 Nodes: 1 Procs: 1 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar20-2024 20:01:25 Nodes: 1 Procs: 1 Mar20-2024 20:01:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar20-2024 20:01:26 Nodes: 1 Procs: 1 Mar20-2024 20:01:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar20-2024 20:01:29 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -14.65182301 -14.70737343 -14.72233052 -14.72402473 -14.72423855 -14.72503392 -14.72553295 -14.72667517 -14.72705737 -14.72739556 -14.72766465 -14.72775220 -14.72797126 -14.72805356 -14.72811207 -14.72815905 -14.72819660 -14.72821702 -14.72822521 -14.72815363 GEOMETRY CONVERGED