ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.92 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.08 1.85 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:26 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 1.99 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 1.42 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:49 Hydrogen (TZP) c5-4 c5-4 c5-4 c5-4 c5-4 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 3.11 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:14 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2457.4382000000023 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0.3190630E+03 3,-3 15 3 -3 0.962284 0.891708 -1.038603 Rho 0.3190318E+03 3,-3 16 3 -3 -0.964253 0.953359 0.973743 Rho 0.3190168E+03 3,-3 17 3 -3 -2.985998 -1.119915 1.158829 Rho 0.3188750E+03 3,-3 18 3 -3 2.972613 -1.161816 -1.154897 Rho 0.3188084E+03 3,-3 19 3 -3 -3.016849 1.148901 -1.078318 Rho 0.3191371E+03 3,-3 20 3 -3 3.013486 1.183659 1.208294 Rho 0.3189142E+03 3,-3 21 3 -3 1.351323 -1.170493 -3.359148 Rho 0.3193419E+03 3,-3 22 3 -3 1.105009 1.134792 2.981743 Rho 0.3188713E+03 3,-3 23 3 -3 -1.149929 1.131064 -2.970214 Rho 0.3188222E+03 3,-3 24 3 -3 -1.166602 -1.146901 3.048233 Rho 0.3189334E+03 3,-3 25 3 -3 -1.138992 3.007757 -1.115667 Rho 0.3189240E+03 3,-3 26 3 -3 -1.195647 -3.000782 1.219957 Rho 0.3189544E+03 3,-3 27 3 -3 1.147480 3.027108 1.153064 Rho 0.3189469E+03 3,-3 28 3 -3 1.180410 -3.251265 -1.047400 Rho 0.3192275E+03 3,-3 29 3 -3 3.365934 -1.482872 1.558848 Rho 0.3190068E+03 3,-3 30 3 -3 -3.445332 -1.578284 -1.559222 Rho 0.3189212E+03 3,-3 31 3 -3 3.454959 1.566023 -1.462221 Rho 0.3191679E+03 3,-3 32 3 -3 -3.429320 1.504892 1.581472 Rho 0.3190015E+03 3,-3 33 3 -3 1.454020 -1.486867 3.457248 Rho 0.3189987E+03 3,-3 34 3 -3 1.542080 1.555915 -3.397619 Rho 0.3189308E+03 3,-3 35 3 -3 -1.504471 1.521280 3.448141 Rho 0.3189591E+03 3,-3 36 3 -3 -1.840446 -1.419502 -3.835715 Rho 0.3192914E+03 3,-3 37 3 -3 -1.572832 -3.668836 -1.263435 Rho 0.3187265E+03 3,-3 38 3 -3 -1.526356 3.397860 1.546513 Rho 0.3190111E+03 3,-3 39 3 -3 1.529933 -3.428498 1.612002 Rho 0.3190258E+03 3,-3 40 3 -3 1.497776 3.417174 -1.467715 Rho 0.3189937E+03 3,-3 41 3 -3 -0.239106 -3.772424 3.793961 Rho 0.3194457E+03 3,-3 42 3 -3 3.875870 -0.139087 -3.709996 Rho 0.3192523E+03 3,-3 43 3 -3 -0.213116 3.738048 -3.700877 Rho 0.3193122E+03 3,-3 44 3 -3 0.242924 3.773200 3.729236 Rho 0.3192875E+03 3,-3 45 3 -3 3.775639 -3.742507 -0.178794 Rho 0.3192622E+03 3,-3 46 3 -3 3.797671 3.773089 0.233336 Rho 0.3194287E+03 3,-3 47 3 -3 -3.798532 3.718177 -0.220789 Rho 0.3194117E+03 3,-3 48 3 -3 -3.886856 -3.634373 0.269251 Rho 0.3193161E+03 3,-3 49 3 -3 -3.872583 0.374440 -3.597930 Rho 0.3192565E+03 3,-3 50 3 -3 -3.726122 -0.204709 3.807011 Rho 0.3193052E+03 3,-3 51 3 -3 3.700326 0.197257 3.802965 Rho 0.3192984E+03 3,-3 52 3 -3 -0.593952 -3.453598 -1.256084 Rho 0.4339525E+00 3,-3 53 3 -1 1.660125 -1.788846 0.456685 Rho 0.5071830E-01 |GRAD(Rho)| 0.2758709E-16 GRAD(Rho)x -0.2643590E-16 GRAD(Rho)y -0.5543831E-17 GRAD(Rho)z 0.5608629E-17 Laplacian 0.2028134E+00 (-1/4)Del**2(Rho)) -0.5070334E-01 Diamond 0.1051340E+00 Metallicity 0.2361155E+01 Ellipticity 0.1315147E-01 Gb(Abramov) 0.5375530E-01 Vb(Abramov) -0.5680726E-01 Hb(Abramov) -0.3051957E-02 Ex_ueg -0.1386558E-01 Ec_ueg -0.2454617E-02 Delta_ex -0.1676725E-01 Delta_ec 0.6065742E-02 Delta_et -0.6420736E-01 Pxc 0.5648774E+01 Qxc -0.2764253E+01 3,-1 54 3 -1 -2.919901 0.043738 0.064766 Rho 0.6140706E-02 |GRAD(Rho)| 0.8097841E-17 GRAD(Rho)x 0.1395032E-17 GRAD(Rho)y -0.4598280E-17 GRAD(Rho)z 0.6518032E-17 Laplacian 0.2468824E-01 (-1/4)Del**2(Rho)) -0.6172059E-02 Diamond 0.8927797E-03 Metallicity 0.5747606E+00 Ellipticity 0.1263927E+01 Gb(Abramov) 0.4705949E-02 Vb(Abramov) -0.3239838E-02 Hb(Abramov) 0.1466110E-02 Ex_ueg -0.8305061E-03 Ec_ueg -0.1963276E-03 Delta_ex -0.1372312E-02 Delta_ec 0.9459685E-03 Delta_et -0.5397507E-02 Pxc 0.4230206E+01 Qxc -0.1450696E+01 3,-1 55 3 +1 -2.177511 1.336667 1.117118 Rho 0.2650941E-01 |GRAD(Rho)| 0.7682591E-16 GRAD(Rho)x 0.6924612E-16 GRAD(Rho)y -0.3292118E-16 GRAD(Rho)z 0.4836309E-17 Laplacian 0.1044625E+00 (-1/4)Del**2(Rho)) -0.2611562E-01 Diamond 0.1465138E-01 Metallicity 0.1554722E+01 Ellipticity -0.3626137E+01 Gb(Abramov) 0.2417750E-01 Vb(Abramov) -0.2223939E-01 Hb(Abramov) 0.1938117E-02 Ex_ueg -0.5837834E-02 Ec_ueg -0.1165007E-02 Delta_ex -0.6583681E-02 Delta_ec 0.1743999E-02 Delta_et -0.1562129E-01 Pxc 0.5010987E+01 Qxc -0.3775049E+01 3,+1 56 3 +1 -0.588217 0.475086 -1.664407 Rho 0.9780709E-02 |GRAD(Rho)| 0.1118583E-16 GRAD(Rho)x 0.6635815E-17 GRAD(Rho)y 0.6205430E-17 GRAD(Rho)z 0.6525449E-17 Laplacian 0.3821147E-01 (-1/4)Del**2(Rho)) -0.9552867E-02 Diamond 0.1233682E-02 Metallicity 0.8066838E+00 Ellipticity -0.1516080E+01 Gb(Abramov) 0.7652935E-02 Vb(Abramov) -0.5753003E-02 Hb(Abramov) 0.1899932E-02 Ex_ueg -0.1544823E-02 Ec_ueg -0.3581132E-03 Delta_ex -0.1809441E-02 Delta_ec 0.5478111E-03 Delta_et -0.3861772E-02 Pxc 0.4313785E+01 Qxc -0.3303039E+01 3,+1 57 3 +1 -2.892475 -0.277874 -0.286733 Rho 0.5762004E-02 |GRAD(Rho)| 0.2053472E-15 GRAD(Rho)x -0.4597993E-17 GRAD(Rho)y -0.1593385E-15 GRAD(Rho)z -0.1294510E-15 Laplacian 0.2390674E-01 (-1/4)Del**2(Rho)) -0.5976685E-02 Diamond 0.4937800E-03 Metallicity 0.5338043E+00 Ellipticity -0.1462479E+01 Gb(Abramov) 0.4516187E-02 Vb(Abramov) -0.3055688E-02 Hb(Abramov) 0.1460498E-02 Ex_ueg -0.7629273E-03 Ec_ueg -0.1798509E-03 Delta_ex -0.1082920E-02 Delta_ec 0.5045695E-03 Delta_et -0.2957838E-02 Pxc 0.4241998E+01 Qxc -0.2146226E+01 3,+1 58 3 +1 -0.258719 -0.505858 -3.196635 Rho 0.3214867E-02 |GRAD(Rho)| 0.1966676E-17 GRAD(Rho)x 0.8946088E-18 GRAD(Rho)y 0.1723556E-17 GRAD(Rho)z 0.3111982E-18 Laplacian 0.1271966E-01 (-1/4)Del**2(Rho)) -0.3179916E-02 Diamond 0.1391972E-03 Metallicity 0.3793813E+00 Ellipticity -0.1509916E+01 Gb(Abramov) 0.2321011E-02 Vb(Abramov) -0.1462106E-02 Hb(Abramov) 0.8589052E-03 Ex_ueg -0.3504309E-03 Ec_ueg -0.7091916E-04 Delta_ex -0.5410158E-03 Delta_ec 0.3265966E-03 Delta_et -0.1583103E-02 Pxc 0.4941273E+01 Qxc -0.1656526E+01 3,+1 59 3 +1 -0.295995 -1.000689 -2.736839 Rho 0.3073903E-02 |GRAD(Rho)| 0.6290632E-17 GRAD(Rho)x 0.9512641E-18 GRAD(Rho)y 0.3337714E-17 GRAD(Rho)z 0.5246600E-17 Laplacian 0.1217462E-01 (-1/4)Del**2(Rho)) -0.3043654E-02 Diamond 0.1078453E-03 Metallicity 0.3678252E+00 Ellipticity -0.1278626E+01 Gb(Abramov) 0.2215692E-02 Vb(Abramov) -0.1387729E-02 Hb(Abramov) 0.8279626E-03 Ex_ueg -0.3300947E-03 Ec_ueg -0.6499062E-04 Delta_ex -0.4820964E-03 Delta_ec 0.2567646E-03 Delta_et -0.1256559E-02 Pxc 0.5079114E+01 Qxc -0.1877582E+01 3,+1 60 3 +3 2.329358 0.022420 0.021382 Rho 0.4202333E-02 |GRAD(Rho)| 0.4683188E-17 GRAD(Rho)x 0.2512414E-17 GRAD(Rho)y 0.3800263E-17 GRAD(Rho)z 0.1085369E-17 Laplacian 0.1730349E-01 (-1/4)Del**2(Rho)) -0.4325873E-02 Diamond 0.1440392E-03 Metallicity 0.4358097E+00 Ellipticity -0.2778415E+00 Gb(Abramov) 0.3198125E-02 Vb(Abramov) -0.2070377E-02 Hb(Abramov) 0.1127748E-02 Ex_ueg -0.5008477E-03 Ec_ueg -0.1127491E-03 Delta_ex -0.6269147E-03 Delta_ec 0.1781511E-03 Delta_et -0.1068782E-02 Pxc 0.4442143E+01 Qxc -0.3519005E+01 3,+3 61 3 +1 -0.623889 -1.682044 0.517881 Rho 0.8864496E-02 |GRAD(Rho)| 0.8612177E-17 GRAD(Rho)x -0.1110033E-17 GRAD(Rho)y 0.8520887E-17 GRAD(Rho)z 0.5761181E-18 Laplacian 0.3366430E-01 (-1/4)Del**2(Rho)) -0.8416074E-02 Diamond 0.9492601E-03 Metallicity 0.7772016E+00 Ellipticity -0.1504500E+01 Gb(Abramov) 0.6700881E-02 Vb(Abramov) -0.4985687E-02 Hb(Abramov) 0.1715194E-02 Ex_ueg -0.1354952E-02 Ec_ueg -0.3168299E-03 Delta_ex -0.1554263E-02 Delta_ec 0.4817318E-03 Delta_et -0.3311882E-02 Pxc 0.4276591E+01 Qxc -0.3226408E+01 3,+1 62 3 -1 -3.299923 -3.119708 0.095179 Rho 0.2419271E+00 |GRAD(Rho)| 0.6084276E-15 GRAD(Rho)x 0.4221883E-15 GRAD(Rho)y 0.4357409E-15 GRAD(Rho)z -0.4550939E-16 Laplacian 0.9033524E+00 (-1/4)Del**2(Rho)) -0.2258381E+00 Diamond 0.3205717E+01 Metallicity 0.7165231E+01 Ellipticity 0.8687854E-03 Gb(Abramov) 0.4202558E+00 Vb(Abramov) -0.6146734E+00 Hb(Abramov) -0.1944177E+00 Ex_ueg -0.1113349E+00 Ec_ueg -0.1457243E-01 Delta_ex -0.1092659E+00 Delta_ec 0.1971959E-01 Delta_et -0.2723801E+00 Pxc 0.7640101E+01 Qxc -0.5540981E+01 3,-1 63 3 +1 -1.759782 -1.733243 1.790935 Rho 0.1239205E-01 |GRAD(Rho)| 0.3026168E-16 GRAD(Rho)x 0.1663376E-16 GRAD(Rho)y 0.8444023E-17 GRAD(Rho)z 0.2382825E-16 Laplacian 0.6219797E-01 (-1/4)Del**2(Rho)) -0.1554949E-01 Diamond 0.2570977E-02 Metallicity 0.7352054E+00 Ellipticity -0.1244760E+01 Gb(Abramov) 0.1227167E-01 Vb(Abramov) -0.8993854E-02 Hb(Abramov) 0.3277819E-02 Ex_ueg -0.2117918E-02 Ec_ueg -0.4776973E-03 Delta_ex -0.3074051E-02 Delta_ec 0.7906849E-03 Delta_et -0.5988115E-02 Pxc 0.4433597E+01 Qxc -0.3887833E+01 3,+1 64 3 -1 -1.753154 1.690388 0.515871 Rho 0.4223777E-01 |GRAD(Rho)| 0.5877015E-16 GRAD(Rho)x -0.5091028E-16 GRAD(Rho)y 0.2918981E-16 GRAD(Rho)z -0.3166739E-17 Laplacian 0.1745803E+00 (-1/4)Del**2(Rho)) -0.4364508E-01 Diamond 0.7184552E-01 Metallicity 0.2022023E+01 Ellipticity 0.1515146E-01 Gb(Abramov) 0.4380528E-01 Vb(Abramov) -0.4396548E-01 Hb(Abramov) -0.1602019E-03 Ex_ueg -0.1086392E-01 Ec_ueg -0.1990527E-02 Delta_ex -0.1385623E-01 Delta_ec 0.5351180E-02 Delta_et -0.5398671E-01 Pxc 0.5457808E+01 Qxc -0.2589378E+01 3,-1 65 3 -1 -3.243052 3.145261 -0.082472 Rho 0.2269686E+00 |GRAD(Rho)| 0.1060712E-14 GRAD(Rho)x 0.1108597E-15 GRAD(Rho)y 0.8429130E-15 GRAD(Rho)z 0.6342854E-15 Laplacian 0.8204595E+00 (-1/4)Del**2(Rho)) -0.2051149E+00 Diamond 0.2718531E+01 Metallicity 0.7093041E+01 Ellipticity 0.7725346E-02 Gb(Abramov) 0.3792246E+00 Vb(Abramov) -0.5533343E+00 Hb(Abramov) -0.1741097E+00 Ex_ueg -0.1022523E+00 Ec_ueg -0.1354295E-01 Delta_ex -0.9772841E-01 Delta_ec 0.1847780E-01 Delta_et -0.2555830E+00 Pxc 0.7550222E+01 Qxc -0.5288965E+01 3,-1 66 3 -1 -3.035091 -2.006007 -0.883072 Rho 0.1518386E+00 |GRAD(Rho)| 0.1233295E-13 GRAD(Rho)x 0.3988211E-14 GRAD(Rho)y -0.6731174E-14 GRAD(Rho)z 0.9533471E-14 Laplacian 0.5909340E+00 (-1/4)Del**2(Rho)) -0.1477335E+00 Diamond 0.1218810E+01 Metallicity 0.5039391E+01 Ellipticity 0.6859681E-01 Gb(Abramov) 0.2225701E+00 Vb(Abramov) -0.2974068E+00 Hb(Abramov) -0.7483664E-01 Ex_ueg -0.5982667E-01 Ec_ueg -0.8561318E-02 Delta_ex -0.6368681E-01 Delta_ec 0.1501149E-01 Delta_et -0.2003182E+00 Pxc 0.6988021E+01 Qxc -0.4242537E+01 3,-1 67 3 -1 -2.982106 -0.951306 -2.085835 Rho 0.1261670E+00 |GRAD(Rho)| 0.1327215E-15 GRAD(Rho)x -0.4158593E-16 GRAD(Rho)y 0.5051027E-16 GRAD(Rho)z -0.1154743E-15 Laplacian 0.4815102E+00 (-1/4)Del**2(Rho)) -0.1203776E+00 Diamond 0.8055198E+00 Metallicity 0.4542038E+01 Ellipticity 0.3194766E-01 Gb(Abramov) 0.1713783E+00 Vb(Abramov) -0.2223790E+00 Hb(Abramov) -0.5100072E-01 Ex_ueg -0.4673543E-01 Ec_ueg -0.6935807E-02 Delta_ex -0.4974249E-01 Delta_ec 0.1302919E-01 Delta_et -0.1694174E+00 Pxc 0.6738283E+01 Qxc -0.3817774E+01 3,-1 68 3 +1 -1.696079 0.507118 -0.531142 Rho 0.9453873E-02 |GRAD(Rho)| 0.3752254E-13 GRAD(Rho)x 0.1558686E-13 GRAD(Rho)y -0.3272890E-13 GRAD(Rho)z -0.9685549E-14 Laplacian 0.3608220E-01 (-1/4)Del**2(Rho)) -0.9020549E-02 Diamond 0.1135747E-02 Metallicity 0.8072408E+00 Ellipticity -0.1560980E+01 Gb(Abramov) 0.7227325E-02 Vb(Abramov) -0.5434101E-02 Hb(Abramov) 0.1793224E-02 Ex_ueg -0.1476380E-02 Ec_ueg -0.3433448E-03 Delta_ex -0.1703252E-02 Delta_ec 0.5340256E-03 Delta_et -0.3718987E-02 Pxc 0.4299991E+01 Qxc -0.3189457E+01 3,+1 69 3 +3 1.889889 -1.938185 1.955904 Rho 0.1214900E-01 |GRAD(Rho)| 0.3470252E-15 GRAD(Rho)x -0.1931844E-15 GRAD(Rho)y 0.1904592E-15 GRAD(Rho)z -0.2164061E-15 Laplacian 0.5671273E-01 (-1/4)Del**2(Rho)) -0.1417818E-01 Diamond 0.1456276E-02 Metallicity 0.7801296E+00 Ellipticity -0.8424821E+00 Gb(Abramov) 0.1129559E-01 Vb(Abramov) -0.8413001E-02 Hb(Abramov) 0.2882591E-02 Ex_ueg -0.2062714E-02 Ec_ueg -0.4664517E-03 Delta_ex -0.2553730E-02 Delta_ec 0.3021978E-03 Delta_et -0.2604084E-02 Pxc 0.4422139E+01 Qxc -0.8450527E+01 3,+3 70 3 +1 -2.910946 0.219950 0.252804 Rho 0.6063919E-02 |GRAD(Rho)| 0.1155443E-15 GRAD(Rho)x -0.8871950E-17 GRAD(Rho)y 0.8626538E-16 GRAD(Rho)z 0.7635484E-16 Laplacian 0.2570913E-01 (-1/4)Del**2(Rho)) -0.6427283E-02 Diamond 0.6988633E-03 Metallicity 0.5404822E+00 Ellipticity -0.2197158E+01 Gb(Abramov) 0.4863828E-02 Vb(Abramov) -0.3300372E-02 Hb(Abramov) 0.1563456E-02 Ex_ueg -0.8166882E-03 Ec_ueg -0.1929810E-03 Delta_ex -0.1271201E-02 Delta_ec 0.7091782E-03 Delta_et -0.4120210E-02 Pxc 0.4231961E+01 Qxc -0.1792499E+01 3,+1 71 3 -1 -2.982372 0.862576 2.048918 Rho 0.1433024E+00 |GRAD(Rho)| 0.8244792E-15 GRAD(Rho)x 0.4912791E-16 GRAD(Rho)y 0.7408218E-15 GRAD(Rho)z -0.3585186E-15 Laplacian 0.5662708E+00 (-1/4)Del**2(Rho)) -0.1415677E+00 Diamond 0.1085923E+01 Metallicity 0.4775421E+01 Ellipticity 0.4789956E-01 Gb(Abramov) 0.2070527E+00 Vb(Abramov) -0.2725377E+00 Hb(Abramov) -0.6548500E-01 Ex_ueg -0.5538471E-01 Ec_ueg -0.8016162E-02 Delta_ex -0.6013138E-01 Delta_ec 0.1452366E-01 Delta_et -0.1920652E+00 Pxc 0.6909130E+01 Qxc -0.4140236E+01 3,-1 72 3 +1 -2.236622 -1.177783 -1.394878 Rho 0.3191599E-01 |GRAD(Rho)| 0.3690612E-13 GRAD(Rho)x 0.7755702E-14 GRAD(Rho)y 0.2610591E-13 GRAD(Rho)z -0.2490767E-13 Laplacian 0.1332682E+00 (-1/4)Del**2(Rho)) -0.3331704E-01 Diamond 0.2525239E-01 Metallicity 0.1660481E+01 Ellipticity -0.5297209E+01 Gb(Abramov) 0.3143175E-01 Vb(Abramov) -0.2954646E-01 Hb(Abramov) 0.1885294E-02 Ex_ueg -0.7477037E-02 Ec_ueg -0.1442853E-02 Delta_ex -0.8918306E-02 Delta_ec 0.2380362E-02 Delta_et -0.2227266E-01 Pxc 0.5182119E+01 Qxc -0.3746617E+01 3,+1 73 3 -1 -2.756253 0.481238 -1.845394 Rho 0.7137332E-01 |GRAD(Rho)| 0.5473990E-16 GRAD(Rho)x 0.1919758E-16 GRAD(Rho)y 0.4763544E-16 GRAD(Rho)z 0.1894135E-16 Laplacian 0.2981402E+00 (-1/4)Del**2(Rho)) -0.7453505E-01 Diamond 0.2458695E+00 Metallicity 0.2838480E+01 Ellipticity 0.7373226E-02 Gb(Abramov) 0.8495108E-01 Vb(Abramov) -0.9536710E-01 Hb(Abramov) -0.1041602E-01 Ex_ueg -0.2186585E-01 Ec_ueg -0.3626577E-02 Delta_ex -0.2689049E-01 Delta_ec 0.8891547E-02 Delta_et -0.1026204E+00 Pxc 0.6029334E+01 Qxc -0.3024275E+01 3,-1 74 3 -1 -2.808857 1.771127 -0.538927 Rho 0.1830826E+00 |GRAD(Rho)| 0.1400035E-13 GRAD(Rho)x -0.6519531E-14 GRAD(Rho)y 0.1227927E-13 GRAD(Rho)z 0.1650806E-14 Laplacian 0.7453975E+00 (-1/4)Del**2(Rho)) -0.1863494E+00 Diamond 0.1873150E+01 Metallicity 0.5457207E+01 Ellipticity 0.2419661E-01 Gb(Abramov) 0.2937241E+00 Vb(Abramov) -0.4010988E+00 Hb(Abramov) -0.1073747E+00 Ex_ueg -0.7677996E-01 Ec_ueg -0.1059395E-01 Delta_ex -0.8377140E-01 Delta_ec 0.1734484E-01 Delta_et -0.2346151E+00 Pxc 0.7247530E+01 Qxc -0.4829760E+01 3,-1 75 3 -1 -2.791855 -1.770240 0.571093 Rho 0.1470852E+00 |GRAD(Rho)| 0.1333285E-15 GRAD(Rho)x 0.6691560E-16 GRAD(Rho)y 0.2219904E-16 GRAD(Rho)z -0.1131636E-15 Laplacian 0.6192931E+00 (-1/4)Del**2(Rho)) -0.1548233E+00 Diamond 0.1219897E+01 Metallicity 0.4560357E+01 Ellipticity 0.1582700E-01 Gb(Abramov) 0.2208904E+00 Vb(Abramov) -0.2869575E+00 Hb(Abramov) -0.6606713E-01 Ex_ueg -0.5734258E-01 Ec_ueg -0.8257190E-02 Delta_ex -0.6612664E-01 Delta_ec 0.1568235E-01 Delta_et -0.2079470E+00 Pxc 0.6944563E+01 Qxc -0.4216628E+01 3,-1 76 3 +1 1.743687 1.768999 1.750443 Rho 0.1224157E-01 |GRAD(Rho)| 0.2881131E-14 GRAD(Rho)x 0.1812613E-14 GRAD(Rho)y -0.7847551E-15 GRAD(Rho)z 0.2097500E-14 Laplacian 0.6102520E-01 (-1/4)Del**2(Rho)) -0.1525630E-01 Diamond 0.2491444E-02 Metallicity 0.7342309E+00 Ellipticity -0.1260840E+01 Gb(Abramov) 0.1203781E-01 Vb(Abramov) -0.8819315E-02 Hb(Abramov) 0.3218492E-02 Ex_ueg -0.2083698E-02 Ec_ueg -0.4707323E-03 Delta_ex -0.3009399E-02 Delta_ec 0.7812460E-03 Delta_et -0.5894899E-02 Pxc 0.4426502E+01 Qxc -0.3852050E+01 3,+1 77 3 +3 -1.099176 -1.124732 1.165943 Rho 0.5330224E-02 |GRAD(Rho)| 0.4342902E-17 GRAD(Rho)x -0.5854834E-18 GRAD(Rho)y -0.1608633E-17 GRAD(Rho)z -0.3991279E-17 Laplacian 0.2074662E-01 (-1/4)Del**2(Rho)) -0.5186655E-02 Diamond 0.1561162E-03 Metallicity 0.5402252E+00 Ellipticity -0.1255781E+00 Gb(Abramov) 0.3924764E-02 Vb(Abramov) -0.2662872E-02 Hb(Abramov) 0.1261891E-02 Ex_ueg -0.6876683E-03 Ec_ueg -0.1611512E-03 Delta_ex -0.7279111E-03 Delta_ec 0.8828627E-04 Delta_et -0.7154636E-03 Pxc 0.4267223E+01 Qxc -0.8244896E+01 3,+3 78 3 -1 -0.080602 0.044641 2.940478 Rho 0.5897980E-02 |GRAD(Rho)| 0.7896680E-17 GRAD(Rho)x 0.5899211E-17 GRAD(Rho)y 0.5213262E-17 GRAD(Rho)z -0.6154502E-18 Laplacian 0.2376957E-01 (-1/4)Del**2(Rho)) -0.5942393E-02 Diamond 0.7847947E-03 Metallicity 0.5581668E+00 Ellipticity 0.3324265E+01 Gb(Abramov) 0.4514403E-02 Vb(Abramov) -0.3086413E-02 Hb(Abramov) 0.1427990E-02 Ex_ueg -0.7870267E-03 Ec_ueg -0.1857589E-03 Delta_ex -0.1289534E-02 Delta_ec 0.8716471E-03 Delta_et -0.4925377E-02 Pxc 0.4236818E+01 Qxc -0.1479422E+01 3,-1 79 3 +1 -1.672179 -0.530135 0.538363 Rho 0.9775772E-02 |GRAD(Rho)| 0.5753812E-17 GRAD(Rho)x -0.4970323E-17 GRAD(Rho)y -0.4103908E-18 GRAD(Rho)z 0.2869463E-17 Laplacian 0.3749086E-01 (-1/4)Del**2(Rho)) -0.9372716E-02 Diamond 0.1202423E-02 Metallicity 0.8214974E+00 Ellipticity -0.1533262E+01 Gb(Abramov) 0.7531754E-02 Vb(Abramov) -0.5690792E-02 Hb(Abramov) 0.1840962E-02 Ex_ueg -0.1543784E-02 Ec_ueg -0.3578898E-03 Delta_ex -0.1772370E-02 Delta_ec 0.5326250E-03 Delta_et -0.3757939E-02 Pxc 0.4313573E+01 Qxc -0.3327613E+01 3,+1 80 3 -1 -2.141636 -0.883327 -3.315899 Rho 0.2349811E+00 |GRAD(Rho)| 0.5649709E-15 GRAD(Rho)x 0.5448116E-16 GRAD(Rho)y -0.5159176E-15 GRAD(Rho)z -0.2237251E-15 Laplacian 0.8986725E+00 (-1/4)Del**2(Rho)) -0.2246681E+00 Diamond 0.3060689E+01 Metallicity 0.6861197E+01 Ellipticity 0.1502947E-01 Gb(Abramov) 0.4066941E+00 Vb(Abramov) -0.5887201E+00 Hb(Abramov) -0.1820260E+00 Ex_ueg -0.1070933E+00 Ec_ueg -0.1409286E-01 Delta_ex -0.1077738E+00 Delta_ec 0.1960673E-01 Delta_et -0.2697860E+00 Pxc 0.7599117E+01 Qxc -0.5496776E+01 3,-1 81 3 +1 -0.094589 -2.279154 -1.018476 Rho 0.6654595E-02 |GRAD(Rho)| 0.4364261E-13 GRAD(Rho)x -0.2923340E-13 GRAD(Rho)y -0.3221600E-13 GRAD(Rho)z -0.3495062E-14 Laplacian 0.2621744E-01 (-1/4)Del**2(Rho)) -0.6554360E-02 Diamond 0.8733668E-03 Metallicity 0.6188123E+00 Ellipticity -0.3799954E+01 Gb(Abramov) 0.5045560E-02 Vb(Abramov) -0.3536760E-02 Hb(Abramov) 0.1508800E-02 Ex_ueg -0.9244439E-03 Ec_ueg -0.2187972E-03 Delta_ex -0.1363303E-02 Delta_ec 0.7974361E-03 Delta_et -0.4728662E-02 Pxc 0.4225117E+01 Qxc -0.1709608E+01 3,+1 82 3 +3 -2.315582 0.006578 0.015939 Rho 0.5192560E-02 |GRAD(Rho)| 0.4230226E-17 GRAD(Rho)x 0.4189467E-18 GRAD(Rho)y -0.4031685E-17 GRAD(Rho)z -0.1210294E-17 Laplacian 0.2141075E-01 (-1/4)Del**2(Rho)) -0.5352689E-02 Diamond 0.2180403E-03 Metallicity 0.5011299E+00 Ellipticity -0.4082844E+00 Gb(Abramov) 0.4015525E-02 Vb(Abramov) -0.2678360E-02 Hb(Abramov) 0.1337164E-02 Ex_ueg -0.6640902E-03 Ec_ueg -0.1552088E-03 Delta_ex -0.8010220E-03 Delta_ec 0.1898068E-03 Delta_et -0.1237563E-02 Pxc 0.4278688E+01 Qxc -0.4220195E+01 3,+3 83 3 +1 -1.411306 2.147640 1.056863 Rho 0.2661847E-01 |GRAD(Rho)| 0.1058473E-13 GRAD(Rho)x -0.7937439E-14 GRAD(Rho)y 0.4309812E-14 GRAD(Rho)z -0.5518982E-14 Laplacian 0.1046698E+00 (-1/4)Del**2(Rho)) -0.2616745E-01 Diamond 0.1405409E-01 Metallicity 0.1562297E+01 Ellipticity -0.2945066E+01 Gb(Abramov) 0.2425852E-01 Vb(Abramov) -0.2234959E-01 Hb(Abramov) 0.1908930E-02 Ex_ueg -0.5869879E-02 Ec_ueg -0.1170542E-02 Delta_ex -0.6533143E-02 Delta_ec 0.1620896E-02 Delta_et -0.1455693E-01 Pxc 0.5014668E+01 Qxc -0.4030574E+01 3,+1 84 3 -1 -2.746682 -0.529962 1.836201 Rho 0.1281187E+00 |GRAD(Rho)| 0.1251625E-15 GRAD(Rho)x -0.3780477E-16 GRAD(Rho)y -0.1192487E-15 GRAD(Rho)z -0.4025101E-17 Laplacian 0.5338511E+00 (-1/4)Del**2(Rho)) -0.1334628E+00 Diamond 0.8982954E+00 Metallicity 0.4202883E+01 Ellipticity 0.1102502E-01 Gb(Abramov) 0.1824633E+00 Vb(Abramov) -0.2314637E+00 Hb(Abramov) -0.4900048E-01 Ex_ueg -0.4770184E-01 Ec_ueg -0.7057885E-02 Delta_ex -0.5521210E-01 Delta_ec 0.1414296E-01 Delta_et -0.1839344E+00 Pxc 0.6758659E+01 Qxc -0.3903859E+01 3,-1 85 3 -1 -1.752355 -0.621738 -1.827127 Rho 0.5447061E-01 |GRAD(Rho)| 0.1567255E-15 GRAD(Rho)x 0.7689789E-16 GRAD(Rho)y -0.7266653E-16 GRAD(Rho)z 0.1156251E-15 Laplacian 0.2197279E+00 (-1/4)Del**2(Rho)) -0.5493198E-01 Diamond 0.1268788E+00 Metallicity 0.2454699E+01 Ellipticity 0.1534511E-01 Gb(Abramov) 0.5909490E-01 Vb(Abramov) -0.6325782E-01 Hb(Abramov) -0.4162921E-02 Ex_ueg -0.1524993E-01 Ec_ueg -0.2663443E-02 Delta_ex -0.1854872E-01 Delta_ec 0.6662219E-02 Delta_et -0.7187236E-01 Pxc 0.5725648E+01 Qxc -0.2784165E+01 3,-1 86 3 +1 0.161142 -0.202728 2.961276 Rho 0.5777963E-02 |GRAD(Rho)| 0.2873796E-12 GRAD(Rho)x 0.2679590E-12 GRAD(Rho)y -0.6415931E-13 GRAD(Rho)z -0.8166117E-13 Laplacian 0.2413253E-01 (-1/4)Del**2(Rho)) -0.6033131E-02 Diamond 0.6166665E-03 Metallicity 0.5312533E+00 Ellipticity -0.2143148E+01 Gb(Abramov) 0.4556274E-02 Vb(Abramov) -0.3079417E-02 Hb(Abramov) 0.1476857E-02 Ex_ueg -0.7657459E-03 Ec_ueg -0.1805438E-03 Delta_ex -0.1182919E-02 Delta_ec 0.6684120E-03 Delta_et -0.3827219E-02 Pxc 0.4241330E+01 Qxc -0.1769745E+01 3,+1 87 3 -1 -1.790277 -0.550620 2.824079 Rho 0.1516185E+00 |GRAD(Rho)| 0.2990453E-15 GRAD(Rho)x -0.2396900E-15 GRAD(Rho)y 0.1048966E-15 GRAD(Rho)z -0.1448223E-15 Laplacian 0.6371541E+00 (-1/4)Del**2(Rho)) -0.1592885E+00 Diamond 0.1300717E+01 Metallicity 0.4662536E+01 Ellipticity 0.2131974E-01 Gb(Abramov) 0.2299738E+00 Vb(Abramov) -0.3006590E+00 Hb(Abramov) -0.7068525E-01 Ex_ueg -0.5971103E-01 Ec_ueg -0.8547201E-02 Delta_ex -0.6853426E-01 Delta_ec 0.1599625E-01 Delta_et -0.2129609E+00 Pxc 0.6986034E+01 Qxc -0.4284395E+01 3,-1 88 3 +1 0.085144 -3.039316 0.179168 Rho 0.5380234E-02 |GRAD(Rho)| 0.8222337E-17 GRAD(Rho)x 0.6376142E-17 GRAD(Rho)y 0.1282969E-17 GRAD(Rho)z -0.5030471E-17 Laplacian 0.2164084E-01 (-1/4)Del**2(Rho)) -0.5410209E-02 Diamond 0.5625545E-03 Metallicity 0.5260267E+00 Ellipticity -0.4013924E+01 Gb(Abramov) 0.4081125E-02 Vb(Abramov) -0.2752041E-02 Hb(Abramov) 0.1329084E-02 Ex_ueg -0.6962843E-03 Ec_ueg -0.1633123E-03 Delta_ex -0.1096102E-02 Delta_ec 0.6899033E-03 Delta_et -0.3826688E-02 Pxc 0.4263513E+01 Qxc -0.1588776E+01 3,+1 89 3 -1 -2.034040 -3.111881 -0.711854 Rho 0.1487083E+00 |GRAD(Rho)| 0.9229760E-14 GRAD(Rho)x -0.3588303E-14 GRAD(Rho)y -0.8269020E-14 GRAD(Rho)z 0.1983900E-14 Laplacian 0.5550093E+00 (-1/4)Del**2(Rho)) -0.1387523E+00 Diamond 0.1139098E+01 Metallicity 0.5182487E+01 Ellipticity 0.1161058E+00 Gb(Abramov) 0.2123486E+00 Vb(Abramov) -0.2859448E+00 Hb(Abramov) -0.7359624E-01 Ex_ueg -0.5818780E-01 Ec_ueg -0.8360877E-02 Delta_ex -0.5973821E-01 Delta_ec 0.1457979E-01 Delta_et -0.1949164E+00 Pxc 0.6959533E+01 Qxc -0.4097330E+01 3,-1 90 3 -1 -1.963251 0.875421 3.038952 Rho 0.1570388E+00 |GRAD(Rho)| 0.8613567E-13 GRAD(Rho)x -0.3662709E-13 GRAD(Rho)y -0.7063320E-13 GRAD(Rho)z -0.3299638E-13 Laplacian 0.6140868E+00 (-1/4)Del**2(Rho)) -0.1535217E+00 Diamond 0.1315329E+01 Metallicity 0.5129339E+01 Ellipticity 0.5281007E-01 Gb(Abramov) 0.2335920E+00 Vb(Abramov) -0.3136622E+00 Hb(Abramov) -0.8007026E-01 Ex_ueg -0.6257404E-01 Ec_ueg -0.8895608E-02 Delta_ex -0.6670095E-01 Delta_ec 0.1541015E-01 Delta_et -0.2064319E+00 Pxc 0.7034262E+01 Qxc -0.4328377E+01 3,-1 91 3 -1 -1.703562 0.532720 1.752588 Rho 0.4721638E-01 |GRAD(Rho)| 0.7881828E-14 GRAD(Rho)x 0.3855633E-14 GRAD(Rho)y -0.5447049E-14 GRAD(Rho)z 0.4193681E-14 Laplacian 0.1893813E+00 (-1/4)Del**2(Rho)) -0.4734533E-01 Diamond 0.8788374E-01 Metallicity 0.2244384E+01 Ellipticity 0.1240574E-01 Gb(Abramov) 0.4927374E-01 Vb(Abramov) -0.5120214E-01 Hb(Abramov) -0.1928404E-02 Ex_ueg -0.1260401E-01 Ec_ueg -0.2261593E-02 Delta_ex -0.1532259E-01 Delta_ec 0.5568254E-02 Delta_et -0.5782235E-01 Pxc 0.5573065E+01 Qxc -0.2751776E+01 3,-1 92 3 +1 -0.200778 2.936225 0.212712 Rho 0.5788069E-02 |GRAD(Rho)| 0.1302351E-16 GRAD(Rho)x -0.1958661E-17 GRAD(Rho)y 0.3755386E-18 GRAD(Rho)z 0.1286990E-16 Laplacian 0.2401182E-01 (-1/4)Del**2(Rho)) -0.6002954E-02 Diamond 0.6299822E-03 Metallicity 0.5354814E+00 Ellipticity -0.2410930E+01 Gb(Abramov) 0.4537714E-02 Vb(Abramov) -0.3072475E-02 Hb(Abramov) 0.1465240E-02 Ex_ueg -0.7675323E-03 Ec_ueg -0.1809827E-03 Delta_ex -0.1188849E-02 Delta_ec 0.6854654E-03 Delta_et -0.3917691E-02 Pxc 0.4240915E+01 Qxc -0.1734368E+01 3,+1 93 3 +3 -1.155919 1.107766 -1.106587 Rho 0.5432523E-02 |GRAD(Rho)| 0.2009801E-13 GRAD(Rho)x 0.1891568E-13 GRAD(Rho)y -0.5788455E-14 GRAD(Rho)z 0.3552570E-14 Laplacian 0.2105076E-01 (-1/4)Del**2(Rho)) -0.5262691E-02 Diamond 0.1595653E-03 Metallicity 0.5495594E+00 Ellipticity -0.2406659E+00 Gb(Abramov) 0.3990487E-02 Vb(Abramov) -0.2718284E-02 Hb(Abramov) 0.1272203E-02 Ex_ueg -0.7053216E-03 Ec_ueg -0.1655733E-03 Delta_ex -0.7400027E-03 Delta_ec 0.8508767E-04 Delta_et -0.7050006E-03 Pxc 0.4259876E+01 Qxc -0.8696944E+01 3,+3 94 3 +1 -2.011436 2.003339 2.022657 Rho 0.1237867E-01 |GRAD(Rho)| 0.1839730E-16 GRAD(Rho)x -0.2176559E-17 GRAD(Rho)y -0.1438595E-16 GRAD(Rho)z -0.1125911E-16 Laplacian 0.5800215E-01 (-1/4)Del**2(Rho)) -0.1450054E-01 Diamond 0.1871325E-02 Metallicity 0.7869713E+00 Ellipticity -0.1100245E+01 Gb(Abramov) 0.1156894E-01 Vb(Abramov) -0.8637349E-02 Hb(Abramov) 0.2931595E-02 Ex_ueg -0.2114870E-02 Ec_ueg -0.4770777E-03 Delta_ex -0.2720948E-02 Delta_ec 0.4786235E-03 Delta_et -0.3823410E-02 Pxc 0.4432967E+01 Qxc -0.5684944E+01 3,+1 95 3 +1 1.672278 0.513977 0.508158 Rho 0.7216479E-02 |GRAD(Rho)| 0.2292235E-12 GRAD(Rho)x -0.1101374E-12 GRAD(Rho)y 0.1886316E-12 GRAD(Rho)z 0.6950722E-13 Laplacian 0.2787776E-01 (-1/4)Del**2(Rho)) -0.6969441E-02 Diamond 0.6100322E-03 Metallicity 0.6661379E+00 Ellipticity -0.1426821E+01 Gb(Abramov) 0.5420062E-02 Vb(Abramov) -0.3870683E-02 Hb(Abramov) 0.1549379E-02 Ex_ueg -0.1029956E-02 Ec_ueg -0.2435095E-03 Delta_ex -0.1231465E-02 Delta_ec 0.4150904E-03 Delta_et -0.2691906E-02 Pxc 0.4229636E+01 Qxc -0.2966739E+01 3,+1 96 3 +3 -1.932050 1.923907 1.937989 Rho 0.1234288E-01 |GRAD(Rho)| 0.5993783E-16 GRAD(Rho)x 0.3992422E-16 GRAD(Rho)y -0.3306083E-16 GRAD(Rho)z -0.3009289E-16 Laplacian 0.5715557E-01 (-1/4)Del**2(Rho)) -0.1428889E-01 Diamond 0.1475963E-02 Metallicity 0.7947839E+00 Ellipticity -0.8586406E+00 Gb(Abramov) 0.1141869E-01 Vb(Abramov) -0.8548491E-02 Hb(Abramov) 0.2870200E-02 Ex_ueg -0.2106722E-02 Ec_ueg -0.4754208E-03 Delta_ex -0.2578682E-02 Delta_ec 0.2924093E-03 Delta_et -0.2547859E-02 Pxc 0.4431279E+01 Qxc -0.8818739E+01 3,+3 97 3 +1 -1.758215 1.719678 -1.708905 Rho 0.1157622E-01 |GRAD(Rho)| 0.1970224E-16 GRAD(Rho)x 0.1485186E-16 GRAD(Rho)y 0.1881736E-17 GRAD(Rho)z -0.1280857E-16 Laplacian 0.5671090E-01 (-1/4)Del**2(Rho)) -0.1417773E-01 Diamond 0.2172015E-02 Metallicity 0.7198213E+00 Ellipticity -0.1274959E+01 Gb(Abramov) 0.1115272E-01 Vb(Abramov) -0.8127718E-02 Hb(Abramov) 0.3025004E-02 Ex_ueg -0.1934079E-02 Ec_ueg -0.4400414E-03 Delta_ex -0.2764014E-02 Delta_ec 0.7409233E-03 Delta_et -0.5503195E-02 Pxc 0.4395220E+01 Qxc -0.3730499E+01 3,+1 98 3 -1 -1.804759 -1.729637 -0.555485 Rho 0.5520115E-01 |GRAD(Rho)| 0.5661507E-15 GRAD(Rho)x 0.4278321E-15 GRAD(Rho)y 0.3256215E-15 GRAD(Rho)z -0.1773611E-15 Laplacian 0.2216366E+00 (-1/4)Del**2(Rho)) -0.5540914E-01 Diamond 0.1281214E+00 Metallicity 0.2488200E+01 Ellipticity 0.1804396E-01 Gb(Abramov) 0.5991760E-01 Vb(Abramov) -0.6442605E-01 Hb(Abramov) -0.4508456E-02 Ex_ueg -0.1552325E-01 Ec_ueg -0.2704329E-02 Delta_ex -0.1868988E-01 Delta_ec 0.6571187E-02 Delta_et -0.7108049E-01 Pxc 0.5740147E+01 Qxc -0.2844216E+01 3,-1 99 3 -1 -1.856159 -2.755012 0.595125 Rho 0.1212044E+00 |GRAD(Rho)| 0.2686428E-13 GRAD(Rho)x 0.2387649E-13 GRAD(Rho)y 0.1222260E-13 GRAD(Rho)z 0.1486875E-14 Laplacian 0.4986018E+00 (-1/4)Del**2(Rho)) -0.1246504E+00 Diamond 0.7847611E+00 Metallicity 0.4102574E+01 Ellipticity 0.2410509E-01 Gb(Abramov) 0.1683316E+00 Vb(Abramov) -0.2120127E+00 Hb(Abramov) -0.4368113E-01 Ex_ueg -0.4430058E-01 Ec_ueg -0.6626556E-02 Delta_ex -0.5088476E-01 Delta_ec 0.1338055E-01 Delta_et -0.1723849E+00 Pxc 0.6685310E+01 Qxc -0.3802891E+01 3,-1 100 3 -1 -1.828188 2.745922 -0.551963 Rho 0.1261561E+00 |GRAD(Rho)| 0.4025791E-12 GRAD(Rho)x 0.3032447E-12 GRAD(Rho)y 0.1042215E-12 GRAD(Rho)z -0.2434141E-12 Laplacian 0.5194807E+00 (-1/4)Del**2(Rho)) -0.1298702E+00 Diamond 0.8480535E+00 Metallicity 0.4209439E+01 Ellipticity 0.8731178E-02 Gb(Abramov) 0.1776935E+00 Vb(Abramov) -0.2255169E+00 Hb(Abramov) -0.4782337E-01 Ex_ueg -0.4673003E-01 Ec_ueg -0.6935125E-02 Delta_ex -0.5340172E-01 Delta_ec 0.1358877E-01 Delta_et -0.1758764E+00 Pxc 0.6738168E+01 Qxc -0.3929841E+01 3,-1 101 3 -1 -0.012579 2.945712 0.034216 Rho 0.5851135E-02 |GRAD(Rho)| 0.1297658E-16 GRAD(Rho)x 0.8635065E-17 GRAD(Rho)y -0.9199478E-18 GRAD(Rho)z 0.9642664E-17 Laplacian 0.2335311E-01 (-1/4)Del**2(Rho)) -0.5838278E-02 Diamond 0.7860193E-03 Metallicity 0.5606200E+00 Ellipticity 0.2045522E+01 Gb(Abramov) 0.4437694E-02 Vb(Abramov) -0.3037111E-02 Hb(Abramov) 0.1400583E-02 Ex_ueg -0.7787031E-03 Ec_ueg -0.1837225E-03 Delta_ex -0.1282518E-02 Delta_ec 0.8875596E-03 Delta_et -0.4992552E-02 Pxc 0.4238474E+01 Qxc -0.1444994E+01 3,-1 102 3 -1 -2.025563 2.946799 0.846540 Rho 0.1064726E+00 |GRAD(Rho)| 0.1255365E-12 GRAD(Rho)x 0.6803359E-13 GRAD(Rho)y 0.5358352E-13 GRAD(Rho)z 0.9088258E-13 Laplacian 0.4207768E+00 (-1/4)Del**2(Rho)) -0.1051942E+00 Diamond 0.5576822E+00 Metallicity 0.3917036E+01 Ellipticity 0.2471659E-01 Gb(Abramov) 0.1388044E+00 Vb(Abramov) -0.1724146E+00 Hb(Abramov) -0.3361018E-01 Ex_ueg -0.3727080E-01 Ec_ueg -0.5718778E-02 Delta_ex -0.4150536E-01 Delta_ec 0.1138091E-01 Delta_et -0.1428525E+00 Pxc 0.6517266E+01 Qxc -0.3646927E+01 3,-1 103 3 +1 -0.542932 1.623406 -0.553441 Rho 0.8741739E-02 |GRAD(Rho)| 0.2083703E-14 GRAD(Rho)x 0.7296231E-15 GRAD(Rho)y 0.7618306E-15 GRAD(Rho)z -0.1796965E-14 Laplacian 0.3350132E-01 (-1/4)Del**2(Rho)) -0.8375329E-02 Diamond 0.9048121E-03 Metallicity 0.7630406E+00 Ellipticity -0.1456491E+01 Gb(Abramov) 0.6648672E-02 Vb(Abramov) -0.4922015E-02 Hb(Abramov) 0.1726657E-02 Ex_ueg -0.1329991E-02 Ec_ueg -0.3113263E-03 Delta_ex -0.1531564E-02 Delta_ec 0.4620304E-03 Delta_et -0.3178840E-02 Pxc 0.4272017E+01 Qxc -0.3314856E+01 3,+1 104 3 +1 -1.123614 1.314645 2.180896 Rho 0.2720357E-01 |GRAD(Rho)| 0.4063870E-16 GRAD(Rho)x 0.2795343E-16 GRAD(Rho)y -0.2099175E-16 GRAD(Rho)z -0.2072332E-16 Laplacian 0.1071262E+00 (-1/4)Del**2(Rho)) -0.2678154E-01 Diamond 0.1575467E-01 Metallicity 0.1582805E+01 Ellipticity -0.4086566E+01 Gb(Abramov) 0.2491935E-01 Vb(Abramov) -0.2305716E-01 Hb(Abramov) 0.1862190E-02 Ex_ueg -0.6042540E-02 Ec_ueg -0.1200288E-02 Delta_ex -0.6816606E-02 Delta_ec 0.1820505E-02 Delta_et -0.1640261E-01 Pxc 0.5034243E+01 Qxc -0.3744348E+01 3,+1 105 3 -1 -1.779281 0.481838 -2.830834 Rho 0.1360280E+00 |GRAD(Rho)| 0.3290283E-15 GRAD(Rho)x -0.7452535E-16 GRAD(Rho)y -0.3183489E-15 GRAD(Rho)z -0.3687304E-16 Laplacian 0.5660439E+00 (-1/4)Del**2(Rho)) -0.1415110E+00 Diamond 0.1026404E+01 Metallicity 0.4380028E+01 Ellipticity 0.1374705E-01 Gb(Abramov) 0.1976443E+00 Vb(Abramov) -0.2537777E+00 Hb(Abramov) -0.5613336E-01 Ex_ueg -0.5166814E-01 Ec_ueg -0.7555197E-02 Delta_ex -0.5942647E-01 Delta_ec 0.1484029E-01 Delta_et -0.1949887E+00 Pxc 0.6838755E+01 Qxc -0.4004402E+01 3,-1 106 3 +1 0.565188 1.660169 0.450783 Rho 0.7475347E-02 |GRAD(Rho)| 0.3323608E-17 GRAD(Rho)x 0.7821489E-18 GRAD(Rho)y -0.9565847E-18 GRAD(Rho)z 0.3085378E-17 Laplacian 0.2898237E-01 (-1/4)Del**2(Rho)) -0.7245592E-02 Diamond 0.6622380E-03 Metallicity 0.6795136E+00 Ellipticity -0.1432081E+01 Gb(Abramov) 0.5650975E-02 Vb(Abramov) -0.4056357E-02 Hb(Abramov) 0.1594618E-02 Ex_ueg -0.1079510E-02 Ec_ueg -0.2549445E-03 Delta_ex -0.1289775E-02 Delta_ec 0.4285529E-03 Delta_et -0.2807501E-02 Pxc 0.4234295E+01 Qxc -0.3009606E+01 3,+1 107 3 +3 -0.106107 -2.379847 -0.126445 Rho 0.4154885E-02 |GRAD(Rho)| 0.6775701E-17 GRAD(Rho)x 0.1019350E-17 GRAD(Rho)y -0.5713663E-17 GRAD(Rho)z 0.3496442E-17 Laplacian 0.1679163E-01 (-1/4)Del**2(Rho)) -0.4197906E-02 Diamond 0.1161214E-03 Metallicity 0.4406753E+00 Ellipticity -0.3702799E+00 Gb(Abramov) 0.3106923E-02 Vb(Abramov) -0.2015940E-02 Hb(Abramov) 0.1090983E-02 Ex_ueg -0.4933218E-03 Ec_ueg -0.1107273E-03 Delta_ex -0.5810676E-03 Delta_ec 0.1272056E-03 Delta_et -0.8183826E-03 Pxc 0.4455286E+01 Qxc -0.4567942E+01 3,+3 108 3 -1 -3.167193 -0.047384 3.256045 Rho 0.2411097E+00 |GRAD(Rho)| 0.3893632E-15 GRAD(Rho)x 0.2410181E-15 GRAD(Rho)y 0.1338448E-15 GRAD(Rho)z -0.2749537E-15 Laplacian 0.8861882E+00 (-1/4)Del**2(Rho)) -0.2215470E+00 Diamond 0.3143872E+01 Metallicity 0.7262927E+01 Ellipticity 0.2158377E-02 Gb(Abramov) 0.4158780E+00 Vb(Abramov) -0.6102090E+00 Hb(Abramov) -0.1943310E+00 Ex_ueg -0.1108336E+00 Ec_ueg -0.1451586E-01 Delta_ex -0.1071575E+00 Delta_ec 0.1947643E-01 Delta_et -0.2694979E+00 Pxc 0.7635344E+01 Qxc -0.5501909E+01 3,-1 109 3 -1 -0.853602 3.001010 1.979413 Rho 0.1566762E+00 |GRAD(Rho)| 0.2673014E-15 GRAD(Rho)x 0.1310529E-15 GRAD(Rho)y -0.9459664E-17 GRAD(Rho)z 0.2327782E-15 Laplacian 0.6100294E+00 (-1/4)Del**2(Rho)) -0.1525073E+00 Diamond 0.1303543E+01 Metallicity 0.5143602E+01 Ellipticity 0.4651023E-01 Gb(Abramov) 0.2324111E+00 Vb(Abramov) -0.3123148E+00 Hb(Abramov) -0.7990373E-01 Ex_ueg -0.6238148E-01 Ec_ueg -0.8872246E-02 Delta_ex -0.6622733E-01 Delta_ec 0.1532608E-01 Delta_et -0.2052650E+00 Pxc 0.7031081E+01 Qxc -0.4321217E+01 3,-1 110 3 -1 0.577514 2.804670 1.773934 Rho 0.1672209E+00 |GRAD(Rho)| 0.2155863E-13 GRAD(Rho)x 0.2042474E-14 GRAD(Rho)y -0.1502718E-13 GRAD(Rho)z 0.1532276E-13 Laplacian 0.6918629E+00 (-1/4)Del**2(Rho)) -0.1729657E+00 Diamond 0.1589205E+01 Metallicity 0.5055269E+01 Ellipticity 0.2334587E-01 Gb(Abramov) 0.2610418E+00 Vb(Abramov) -0.3491180E+00 Hb(Abramov) -0.8807613E-01 Ex_ueg -0.6804130E-01 Ec_ueg -0.9554868E-02 Delta_ex -0.7625401E-01 Delta_ec 0.1695062E-01 Delta_et -0.2284979E+00 Pxc 0.7121114E+01 Qxc -0.4498596E+01 3,-1 111 3 -1 -0.240107 -1.265342 -3.552926 Rho 0.4607708E-02 |GRAD(Rho)| 0.1967056E-15 GRAD(Rho)x 0.9865631E-16 GRAD(Rho)y 0.9271910E-16 GRAD(Rho)z 0.1426997E-15 Laplacian 0.1792001E-01 (-1/4)Del**2(Rho)) -0.4480001E-02 Diamond 0.5871493E-03 Metallicity 0.4906253E+00 Ellipticity 0.1716801E+00 Gb(Abramov) 0.3353001E-02 Vb(Abramov) -0.2226001E-02 Hb(Abramov) 0.1127000E-02 Ex_ueg -0.5662806E-03 Ec_ueg -0.1300701E-03 Delta_ex -0.1097367E-02 Delta_ec 0.9575256E-03 Delta_et -0.4913729E-02 Pxc 0.4353656E+01 Qxc -0.1146045E+01 3,-1 112 3 +1 -0.532923 -0.584859 1.669084 Rho 0.8271101E-02 |GRAD(Rho)| 0.1722921E-16 GRAD(Rho)x -0.9578937E-17 GRAD(Rho)y -0.1185176E-16 GRAD(Rho)z 0.8038985E-17 Laplacian 0.3224636E-01 (-1/4)Del**2(Rho)) -0.8061590E-02 Diamond 0.8177716E-03 Metallicity 0.7228886E+00 Ellipticity -0.1427928E+01 Gb(Abramov) 0.6345665E-02 Vb(Abramov) -0.4629740E-02 Hb(Abramov) 0.1715925E-02 Ex_ueg -0.1235386E-02 Ec_ueg -0.2902884E-03 Delta_ex -0.1458443E-02 Delta_ec 0.4533092E-03 Delta_et -0.3067768E-02 Pxc 0.4255721E+01 Qxc -0.3217325E+01 3,+1 113 3 +1 1.619894 -0.580264 -0.563661 Rho 0.9254499E-02 |GRAD(Rho)| 0.1013559E-16 GRAD(Rho)x -0.8735841E-17 GRAD(Rho)y 0.3249672E-17 GRAD(Rho)z -0.3981822E-17 Laplacian 0.3712705E-01 (-1/4)Del**2(Rho)) -0.9281763E-02 Diamond 0.1074554E-02 Metallicity 0.7571424E+00 Ellipticity -0.1420512E+01 Gb(Abramov) 0.7359111E-02 Vb(Abramov) -0.5436460E-02 Hb(Abramov) 0.1922652E-02 Ex_ueg -0.1435012E-02 Ec_ueg -0.3343585E-03 Delta_ex -0.1718390E-02 Delta_ec 0.5052757E-03 Delta_et -0.3532737E-02 Pxc 0.4291837E+01 Qxc -0.3400895E+01 3,+1 114 3 +1 1.111464 -2.212037 1.329176 Rho 0.2800134E-01 |GRAD(Rho)| 0.1722227E-14 GRAD(Rho)x -0.2584695E-16 GRAD(Rho)y 0.5113720E-15 GRAD(Rho)z 0.1644353E-14 Laplacian 0.1139814E+00 (-1/4)Del**2(Rho)) -0.2849535E-01 Diamond 0.1876464E-01 Metallicity 0.1561028E+01 Ellipticity -0.6963724E+01 Gb(Abramov) 0.2641057E-01 Vb(Abramov) -0.2432579E-01 Hb(Abramov) 0.2084778E-02 Ex_ueg -0.6279960E-02 Ec_ueg -0.1240983E-02 Delta_ex -0.7432692E-02 Delta_ec 0.2157187E-02 Delta_et -0.1953949E-01 Pxc 0.5060474E+01 Qxc -0.3445548E+01 3,+1 115 3 +3 0.024421 -0.082949 2.269227 Rho 0.4711690E-02 |GRAD(Rho)| 0.5068915E-15 GRAD(Rho)x 0.3066268E-15 GRAD(Rho)y -0.3036577E-15 GRAD(Rho)z 0.2659154E-15 Laplacian 0.1930496E-01 (-1/4)Del**2(Rho)) -0.4826239E-02 Diamond 0.1612193E-03 Metallicity 0.4726853E+00 Ellipticity -0.3618854E+00 Gb(Abramov) 0.3597708E-02 Vb(Abramov) -0.2369177E-02 Hb(Abramov) 0.1228531E-02 Ex_ueg -0.5833833E-03 Ec_ueg -0.1345268E-03 Delta_ex -0.6932091E-03 Delta_ec 0.1513180E-03 Delta_et -0.9929708E-03 Pxc 0.4336558E+01 Qxc -0.4581142E+01 3,+3 116 3 -1 0.006693 -3.388649 -1.174818 Rho 0.3410563E-01 |GRAD(Rho)| 0.1506140E-14 GRAD(Rho)x -0.1170516E-14 GRAD(Rho)y -0.5430010E-15 GRAD(Rho)z -0.7768530E-15 Laplacian 0.1038533E+00 (-1/4)Del**2(Rho)) -0.2596333E-01 Diamond 0.4965774E-01 Metallicity 0.2379960E+01 Ellipticity 0.8294648E-02 Gb(Abramov) 0.2760750E-01 Vb(Abramov) -0.2925167E-01 Hb(Abramov) -0.1644170E-02 Ex_ueg -0.8168704E-02 Ec_ueg -0.1557260E-02 Delta_ex -0.9092010E-02 Delta_ec 0.5455580E-02 Delta_et -0.5195555E-01 Pxc 0.5245561E+01 Qxc -0.1666552E+01 3,-1 117 3 -1 -0.811930 -3.499422 -1.256577 Rho 0.3134176E+00 |GRAD(Rho)| 0.2995864E-15 GRAD(Rho)x 0.1669845E-15 GRAD(Rho)y -0.1959963E-15 GRAD(Rho)z -0.1531458E-15 Laplacian -0.1621409E+01 (-1/4)Del**2(Rho)) 0.4053522E+00 Diamond 0.5509433E+01 Metallicity -0.6146005E+01 Ellipticity 0.2411572E-02 Gb(Abramov) 0.1449813E+00 Vb(Abramov) -0.6953148E+00 Hb(Abramov) -0.5503335E+00 Ex_ueg -0.1572351E+00 Ec_ueg -0.1966215E-01 Delta_ex 0.1602162E+00 Delta_ec 0.5645496E-01 Delta_et -0.1329120E+01 Pxc 0.7996841E+01 Qxc 0.2837948E+01 3,-1 118 3 -1 -0.498968 0.421477 0.433933 Rho 0.1792974E+00 |GRAD(Rho)| 0.1750954E-15 GRAD(Rho)x 0.1006140E-15 GRAD(Rho)y 0.1422473E-15 GRAD(Rho)z -0.1734723E-16 Laplacian 0.4710441E+00 (-1/4)Del**2(Rho)) -0.1177610E+00 Diamond 0.1206015E+01 Metallicity 0.8340174E+01 Ellipticity 0.4472444E-02 Gb(Abramov) 0.2421986E+00 Vb(Abramov) -0.3666361E+00 Hb(Abramov) -0.1244376E+00 Ex_ueg -0.7467075E-01 Ec_ueg -0.1034467E-01 Delta_ex -0.5306407E-01 Delta_ec 0.1174642E-01 Delta_et -0.1608074E+00 Pxc 0.7218285E+01 Qxc -0.4517466E+01 3,-1 119 3 +1 -0.182631 0.150104 2.935257 Rho 0.5886224E-02 |GRAD(Rho)| 0.3432034E-13 GRAD(Rho)x -0.3375929E-13 GRAD(Rho)y -0.3425985E-14 GRAD(Rho)z -0.5143801E-14 Laplacian 0.2425171E-01 (-1/4)Del**2(Rho)) -0.6062926E-02 Diamond 0.6942822E-03 Metallicity 0.5452539E+00 Ellipticity -0.3775595E+01 Gb(Abramov) 0.4592923E-02 Vb(Abramov) -0.3122920E-02 Hb(Abramov) 0.1470003E-02 Ex_ueg -0.7849357E-03 Ec_ueg -0.1852477E-03 Delta_ex -0.1237297E-02 Delta_ec 0.7502401E-03 Delta_et -0.4284029E-02 Pxc 0.4237221E+01 Qxc -0.1649201E+01 3,+1 120 3 +1 0.526207 0.444053 1.642876 Rho 0.8428405E-02 |GRAD(Rho)| 0.9289648E-17 GRAD(Rho)x -0.6970934E-17 GRAD(Rho)y 0.5989461E-17 GRAD(Rho)z -0.1352774E-17 Laplacian 0.3324987E-01 (-1/4)Del**2(Rho)) -0.8312469E-02 Diamond 0.8536871E-03 Metallicity 0.7234338E+00 Ellipticity -0.1410825E+01 Gb(Abramov) 0.6543899E-02 Vb(Abramov) -0.4775330E-02 Hb(Abramov) 0.1768569E-02 Ex_ueg -0.1266812E-02 Ec_ueg -0.2973090E-03 Delta_ex -0.1505699E-02 Delta_ec 0.4579494E-03 Delta_et -0.3121992E-02 Pxc 0.4260927E+01 Qxc -0.3287915E+01 3,+1 121 3 -1 -0.555579 1.779329 -2.734419 Rho 0.1380893E+00 |GRAD(Rho)| 0.1428266E-15 GRAD(Rho)x -0.1206175E-15 GRAD(Rho)y -0.3126568E-16 GRAD(Rho)z -0.6980907E-16 Laplacian 0.5884793E+00 (-1/4)Del**2(Rho)) -0.1471198E+00 Diamond 0.1074250E+01 Metallicity 0.4319985E+01 Ellipticity 0.1235562E-01 Gb(Abramov) 0.2040058E+00 Vb(Abramov) -0.2608917E+00 Hb(Abramov) -0.5688595E-01 Ex_ueg -0.5271472E-01 Ec_ueg -0.7685475E-02 Delta_ex -0.6187078E-01 Delta_ec 0.1512852E-01 Delta_et -0.1987488E+00 Pxc 0.6859006E+01 Qxc -0.4089679E+01 3,-1 122 3 -1 -0.514285 1.731947 1.698545 Rho 0.4619632E-01 |GRAD(Rho)| 0.1008395E-15 GRAD(Rho)x 0.2395875E-16 GRAD(Rho)y 0.9496425E-16 GRAD(Rho)z 0.2400788E-16 Laplacian 0.1863583E+00 (-1/4)Del**2(Rho)) -0.4658958E-01 Diamond 0.8432542E-01 Metallicity 0.2199261E+01 Ellipticity 0.2526362E-01 Gb(Abramov) 0.4813682E-01 Vb(Abramov) -0.4968407E-01 Hb(Abramov) -0.1547247E-02 Ex_ueg -0.1224226E-01 Ec_ueg -0.2205725E-02 Delta_ex -0.1501345E-01 Delta_ec 0.5512328E-02 Delta_et -0.5692103E-01 Pxc 0.5550221E+01 Qxc -0.2723614E+01 3,-1 123 3 +3 0.067021 2.242436 -0.029259 Rho 0.4576108E-02 |GRAD(Rho)| 0.3687075E-16 GRAD(Rho)x 0.3658071E-16 GRAD(Rho)y -0.1226447E-17 GRAD(Rho)z 0.4449681E-17 Laplacian 0.1858011E-01 (-1/4)Del**2(Rho)) -0.4645027E-02 Diamond 0.1468869E-03 Metallicity 0.4677984E+00 Ellipticity -0.3439020E+00 Gb(Abramov) 0.3458841E-02 Vb(Abramov) -0.2272654E-02 Hb(Abramov) 0.1186186E-02 Ex_ueg -0.5611084E-03 Ec_ueg -0.1287169E-03 Delta_ex -0.6597692E-03 Delta_ec 0.1414597E-03 Delta_et -0.9289878E-03 Pxc 0.4359246E+01 Qxc -0.4664009E+01 3,+3 124 3 +3 1.113701 1.086445 1.021357 Rho 0.4533685E-02 |GRAD(Rho)| 0.1821578E-11 GRAD(Rho)x -0.1812377E-11 GRAD(Rho)y -0.8876707E-13 GRAD(Rho)z -0.1598730E-12 Laplacian 0.1764812E-01 (-1/4)Del**2(Rho)) -0.4412030E-02 Diamond 0.1151362E-03 Metallicity 0.4849166E+00 Ellipticity -0.1214303E+00 Gb(Abramov) 0.3297931E-02 Vb(Abramov) -0.2183832E-02 Hb(Abramov) 0.1114099E-02 Ex_ueg -0.5541834E-03 Ec_ueg -0.1269009E-03 Delta_ex -0.6012080E-03 Delta_ec 0.9162113E-04 Delta_et -0.6725890E-03 Pxc 0.4367057E+01 Qxc -0.6561892E+01 3,+3 125 3 -1 -0.591519 -2.790336 1.851484 Rho 0.1434777E+00 |GRAD(Rho)| 0.2628048E-13 GRAD(Rho)x -0.2529385E-13 GRAD(Rho)y 0.7036038E-14 GRAD(Rho)z 0.1174218E-14 Laplacian 0.6011369E+00 (-1/4)Del**2(Rho)) -0.1502842E+00 Diamond 0.1132239E+01 Metallicity 0.4507620E+01 Ellipticity 0.3668343E-01 Gb(Abramov) 0.2130935E+00 Vb(Abramov) -0.2759028E+00 Hb(Abramov) -0.6280930E-01 Ex_ueg -0.5547506E-01 Ec_ueg -0.8027312E-02 Delta_ex -0.6361778E-01 Delta_ec 0.1499360E-01 Delta_et -0.1974080E+00 Pxc 0.6910789E+01 Qxc -0.4242995E+01 3,-1 126 3 +1 1.506652 -2.032895 -2.027520 Rho 0.6322774E-02 |GRAD(Rho)| 0.1901987E-14 GRAD(Rho)x 0.1326160E-14 GRAD(Rho)y 0.3026247E-15 GRAD(Rho)z 0.1329387E-14 Laplacian 0.2750478E-01 (-1/4)Del**2(Rho)) -0.6876196E-02 Diamond 0.8826420E-03 Metallicity 0.5416487E+00 Ellipticity -0.2844418E+01 Gb(Abramov) 0.5204878E-02 Vb(Abramov) -0.3533559E-02 Hb(Abramov) 0.1671318E-02 Ex_ueg -0.8634992E-03 Ec_ueg -0.2042739E-03 Delta_ex -0.1434086E-02 Delta_ec 0.8698075E-03 Delta_et -0.5066464E-02 Pxc 0.4227164E+01 Qxc -0.1648739E+01 3,+1 127 3 -1 -0.567246 -1.829630 2.802907 Rho 0.1186906E+00 |GRAD(Rho)| 0.1506894E-13 GRAD(Rho)x 0.9120925E-14 GRAD(Rho)y -0.1187224E-13 GRAD(Rho)z -0.1712169E-14 Laplacian 0.4918049E+00 (-1/4)Del**2(Rho)) -0.1229512E+00 Diamond 0.7444155E+00 Metallicity 0.4016496E+01 Ellipticity 0.2999863E-02 Gb(Abramov) 0.1642730E+00 Vb(Abramov) -0.2055948E+00 Hb(Abramov) -0.4132177E-01 Ex_ueg -0.4307976E-01 Ec_ueg -0.6470555E-02 Delta_ex -0.4979982E-01 Delta_ec 0.1301042E-01 Delta_et -0.1665958E+00 Pxc 0.6657816E+01 Qxc -0.3827689E+01 3,-1 128 3 -1 0.029467 -2.165303 -0.982742 Rho 0.6679019E-02 |GRAD(Rho)| 0.1768913E-16 GRAD(Rho)x 0.1537370E-16 GRAD(Rho)y -0.8743557E-17 GRAD(Rho)z -0.3236698E-18 Laplacian 0.2602681E-01 (-1/4)Del**2(Rho)) -0.6506703E-02 Diamond 0.1022318E-02 Metallicity 0.6271624E+00 Ellipticity 0.2903963E+01 Gb(Abramov) 0.5017928E-02 Vb(Abramov) -0.3529154E-02 Hb(Abramov) 0.1488774E-02 Ex_ueg -0.9289706E-03 Ec_ueg -0.2198683E-03 Delta_ex -0.1449716E-02 Delta_ec 0.9618152E-03 Delta_et -0.5641470E-02 Pxc 0.4225122E+01 Qxc -0.1507271E+01 3,-1 129 3 -1 -0.552260 2.762617 -1.758900 Rho 0.1431703E+00 |GRAD(Rho)| 0.6871676E-14 GRAD(Rho)x -0.1074824E-14 GRAD(Rho)y 0.4520513E-14 GRAD(Rho)z 0.5062574E-14 Laplacian 0.5963034E+00 (-1/4)Del**2(Rho)) -0.1490759E+00 Diamond 0.1136399E+01 Metallicity 0.4527941E+01 Ellipticity 0.1074081E-01 Gb(Abramov) 0.2118850E+00 Vb(Abramov) -0.2746942E+00 Hb(Abramov) -0.6280917E-01 Ex_ueg -0.5531662E-01 Ec_ueg -0.8007759E-02 Delta_ex -0.6324422E-01 Delta_ec 0.1518668E-01 Delta_et -0.2005673E+00 Pxc 0.6907878E+01 Qxc -0.4164453E+01 3,-1 130 3 +1 0.197897 2.959762 -0.167533 Rho 0.5762421E-02 |GRAD(Rho)| 0.7845773E-12 GRAD(Rho)x 0.5359345E-12 GRAD(Rho)y 0.1969401E-12 GRAD(Rho)z -0.5380988E-12 Laplacian 0.2385215E-01 (-1/4)Del**2(Rho)) -0.5963037E-02 Diamond 0.6149178E-03 Metallicity 0.5350906E+00 Ellipticity -0.2263612E+01 Gb(Abramov) 0.4507152E-02 Vb(Abramov) -0.3051267E-02 Hb(Abramov) 0.1455885E-02 Ex_ueg -0.7630009E-03 Ec_ueg -0.1798690E-03 Delta_ex -0.1174386E-02 Delta_ec 0.6711055E-03 Delta_et -0.3834868E-02 Pxc 0.4241981E+01 Qxc -0.1749927E+01 3,+1 131 3 -1 -0.083211 -3.226461 3.221606 Rho 0.2312442E+00 |GRAD(Rho)| 0.3763385E-15 GRAD(Rho)x -0.6792527E-16 GRAD(Rho)y -0.3113829E-15 GRAD(Rho)z -0.2001437E-15 Laplacian 0.8340614E+00 (-1/4)Del**2(Rho)) -0.2085153E+00 Diamond 0.2831553E+01 Metallicity 0.7197800E+01 Ellipticity 0.1680562E-02 Gb(Abramov) 0.3891522E+00 Vb(Abramov) -0.5697890E+00 Hb(Abramov) -0.1806368E+00 Ex_ueg -0.1048285E+00 Ec_ueg -0.1383595E-01 Delta_ex -0.9986027E-01 Delta_ec 0.1873476E-01 Delta_et -0.2595852E+00 Pxc 0.7576533E+01 Qxc -0.5330213E+01 3,-1 132 3 -1 0.506137 -1.788020 1.709084 Rho 0.4198258E-01 |GRAD(Rho)| 0.7654239E-16 GRAD(Rho)x -0.9832358E-17 GRAD(Rho)y -0.5727510E-16 GRAD(Rho)z -0.4981591E-16 Laplacian 0.1748066E+00 (-1/4)Del**2(Rho)) -0.4370164E-01 Diamond 0.7131820E-01 Metallicity 0.1999113E+01 Ellipticity 0.1565142E-01 Gb(Abramov) 0.4369518E-01 Vb(Abramov) -0.4368872E-01 Hb(Abramov) 0.6460330E-05 Ex_ueg -0.1077649E-01 Ec_ueg -0.1976746E-02 Delta_ex -0.1385176E-01 Delta_ec 0.5355377E-02 Delta_et -0.5394045E-01 Pxc 0.5451631E+01 Qxc -0.2586515E+01 3,-1 133 3 -1 1.699850 -0.581750 1.703585 Rho 0.4087518E-01 |GRAD(Rho)| 0.2275110E-13 GRAD(Rho)x 0.1257967E-13 GRAD(Rho)y 0.1718153E-13 GRAD(Rho)z 0.8009965E-14 Laplacian 0.1622534E+00 (-1/4)Del**2(Rho)) -0.4056336E-01 Diamond 0.6100821E-01 Metallicity 0.2059928E+01 Ellipticity 0.5190961E-01 Gb(Abramov) 0.4096851E-01 Vb(Abramov) -0.4137366E-01 Hb(Abramov) -0.4051488E-03 Ex_ueg -0.1039915E-01 Ec_ueg -0.1917072E-02 Delta_ex -0.1261308E-01 Delta_ec 0.4687104E-02 Delta_et -0.4683395E-01 Pxc 0.5424498E+01 Qxc -0.2691019E+01 3,-1 134 3 -1 0.528466 1.669500 -1.732281 Rho 0.5293572E-01 |GRAD(Rho)| 0.1586720E-13 GRAD(Rho)x -0.4697748E-14 GRAD(Rho)y 0.1144188E-13 GRAD(Rho)z -0.9938939E-14 Laplacian 0.2143240E+00 (-1/4)Del**2(Rho)) -0.5358101E-01 Diamond 0.1166897E+00 Metallicity 0.2399516E+01 Ellipticity 0.1364533E-01 Gb(Abramov) 0.5714875E-01 Vb(Abramov) -0.6071650E-01 Hb(Abramov) -0.3567742E-02 Ex_ueg -0.1467969E-01 Ec_ueg -0.2577781E-02 Delta_ex -0.1786860E-01 Delta_ec 0.6331939E-02 Delta_et -0.6774935E-01 Pxc 0.5694700E+01 Qxc -0.2821979E+01 3,-1 135 3 -1 0.548862 1.808601 2.738653 Rho 0.1417482E+00 |GRAD(Rho)| 0.2908067E-15 GRAD(Rho)x -0.2134116E-15 GRAD(Rho)y 0.1712362E-15 GRAD(Rho)z -0.9849977E-16 Laplacian 0.5913314E+00 (-1/4)Del**2(Rho)) -0.1478328E+00 Diamond 0.1120319E+01 Metallicity 0.4490673E+01 Ellipticity 0.8088703E-02 Gb(Abramov) 0.2092001E+00 Vb(Abramov) -0.2705673E+00 Hb(Abramov) -0.6136722E-01 Ex_ueg -0.5458522E-01 Ec_ueg -0.7917390E-02 Delta_ex -0.6263733E-01 Delta_ec 0.1522799E-01 Delta_et -0.2011002E+00 Pxc 0.6894346E+01 Qxc -0.4113303E+01 3,-1 136 3 -1 -0.058802 3.179701 -3.148529 Rho 0.2413216E+00 |GRAD(Rho)| 0.8141470E-16 GRAD(Rho)x -0.3057450E-16 GRAD(Rho)y 0.6342583E-16 GRAD(Rho)z 0.4087442E-16 Laplacian 0.8944856E+00 (-1/4)Del**2(Rho)) -0.2236214E+00 Diamond 0.3170212E+01 Metallicity 0.7206098E+01 Ellipticity 0.1596743E-02 Gb(Abramov) 0.4176539E+00 Vb(Abramov) -0.6116864E+00 Hb(Abramov) -0.1940325E+00 Ex_ueg -0.1109635E+00 Ec_ueg -0.1453052E-01 Delta_ex -0.1081516E+00 Delta_ec 0.1959276E-01 Delta_et -0.2708433E+00 Pxc 0.7636579E+01 Qxc -0.5519977E+01 3,-1 137 3 -1 0.092910 3.226993 3.161575 Rho 0.2392840E+00 |GRAD(Rho)| 0.4960408E-14 GRAD(Rho)x -0.1069376E-14 GRAD(Rho)y -0.3415887E-14 GRAD(Rho)z -0.3434210E-14 Laplacian 0.8772372E+00 (-1/4)Del**2(Rho)) -0.2193093E+00 Diamond 0.3085566E+01 Metallicity 0.7244675E+01 Ellipticity 0.2064067E-02 Gb(Abramov) 0.4110103E+00 Vb(Abramov) -0.6027113E+00 Hb(Abramov) -0.1917010E+00 Ex_ueg -0.1097160E+00 Ec_ueg -0.1438963E-01 Delta_ex -0.1058742E+00 Delta_ec 0.1934040E-01 Delta_et -0.2676258E+00 Pxc 0.7624656E+01 Qxc -0.5474253E+01 3,-1 138 3 +1 0.317542 -1.903233 -0.703001 Rho 0.6332781E-02 |GRAD(Rho)| 0.3523886E-15 GRAD(Rho)x 0.1049219E-15 GRAD(Rho)y 0.2182712E-15 GRAD(Rho)z 0.2559820E-15 Laplacian 0.2462429E-01 (-1/4)Del**2(Rho)) -0.6156072E-02 Diamond 0.6401341E-03 Metallicity 0.6066064E+00 Ellipticity -0.2041752E+01 Gb(Abramov) 0.4726433E-02 Vb(Abramov) -0.3296795E-02 Hb(Abramov) 0.1429639E-02 Ex_ueg -0.8653220E-03 Ec_ueg -0.2047111E-03 Delta_ex -0.1181472E-02 Delta_ec 0.5951195E-03 Delta_et -0.3539533E-02 Pxc 0.4227039E+01 Qxc -0.1985269E+01 3,+1 139 3 -1 0.416696 -0.538552 0.406333 Rho 0.1815052E+00 |GRAD(Rho)| 0.8381558E-14 GRAD(Rho)x 0.2088607E-14 GRAD(Rho)y 0.7917278E-14 GRAD(Rho)z 0.1790235E-14 Laplacian 0.4818242E+00 (-1/4)Del**2(Rho)) -0.1204560E+00 Diamond 0.1255317E+01 Metallicity 0.8321591E+01 Ellipticity 0.7644317E-02 Gb(Abramov) 0.2473683E+00 Vb(Abramov) -0.3742807E+00 Hb(Abramov) -0.1269123E+00 Ex_ueg -0.7589919E-01 Ec_ueg -0.1048996E-01 Delta_ex -0.5447161E-01 Delta_ec 0.1202448E-01 Delta_et -0.1649813E+00 Pxc 0.7235410E+01 Qxc -0.4530058E+01 3,-1 140 3 -1 0.426625 0.392296 -0.536688 Rho 0.1807579E+00 |GRAD(Rho)| 0.2486800E-14 GRAD(Rho)x -0.1547373E-14 GRAD(Rho)y -0.1425943E-14 GRAD(Rho)z 0.1325329E-14 Laplacian 0.4775104E+00 (-1/4)Del**2(Rho)) -0.1193776E+00 Diamond 0.1237406E+01 Metallicity 0.8339230E+01 Ellipticity 0.5157620E-02 Gb(Abramov) 0.2455046E+00 Vb(Abramov) -0.3716316E+00 Hb(Abramov) -0.1261270E+00 Ex_ueg -0.7548283E-01 Ec_ueg -0.1044075E-01 Delta_ex -0.5392412E-01 Delta_ec 0.1192235E-01 Delta_et -0.1634823E+00 Pxc 0.7229635E+01 Qxc -0.4522945E+01 3,-1 141 3 +1 1.975518 -2.015754 2.045582 Rho 0.1218967E-01 |GRAD(Rho)| 0.1147762E-16 GRAD(Rho)x -0.1061501E-16 GRAD(Rho)y -0.2816943E-17 GRAD(Rho)z -0.3334995E-17 Laplacian 0.5739981E-01 (-1/4)Del**2(Rho)) -0.1434995E-01 Diamond 0.1860027E-02 Metallicity 0.7750965E+00 Ellipticity -0.1110379E+01 Gb(Abramov) 0.1142040E-01 Vb(Abramov) -0.8490850E-02 Hb(Abramov) 0.2929551E-02 Ex_ueg -0.2071926E-02 Ec_ueg -0.4683318E-03 Delta_ex -0.2694487E-02 Delta_ec 0.4974681E-03 Delta_et -0.3933161E-02 Pxc 0.4424055E+01 Qxc -0.5416403E+01 3,+1 142 3 -1 0.853386 -3.018317 2.047601 Rho 0.1453182E+00 |GRAD(Rho)| 0.8831067E-12 GRAD(Rho)x -0.6643627E-12 GRAD(Rho)y 0.3656999E-12 GRAD(Rho)z 0.4525077E-12 Laplacian 0.5716044E+00 (-1/4)Del**2(Rho)) -0.1429011E+00 Diamond 0.1098030E+01 Metallicity 0.4842292E+01 Ellipticity 0.8146496E-01 Gb(Abramov) 0.2105955E+00 Vb(Abramov) -0.2782900E+00 Hb(Abramov) -0.6769443E-01 Ex_ueg -0.5642589E-01 Ec_ueg -0.8144488E-02 Delta_ex -0.6073226E-01 Delta_ec 0.1430099E-01 Delta_et -0.1888241E+00 Pxc 0.6928107E+01 Qxc -0.4246718E+01 3,-1 143 3 -1 0.810325 -2.000218 3.014810 Rho 0.1256617E+00 |GRAD(Rho)| 0.1403311E-13 GRAD(Rho)x 0.6561768E-14 GRAD(Rho)y 0.1130043E-13 GRAD(Rho)z -0.5115835E-14 Laplacian 0.4890629E+00 (-1/4)Del**2(Rho)) -0.1222657E+00 Diamond 0.7929369E+00 Metallicity 0.4442080E+01 Ellipticity 0.4446233E-01 Gb(Abramov) 0.1720295E+00 Vb(Abramov) -0.2217933E+00 Hb(Abramov) -0.4976378E-01 Ex_ueg -0.4648599E-01 Ec_ueg -0.6904238E-02 Delta_ex -0.5020589E-01 Delta_ec 0.1276676E-01 Delta_et -0.1650619E+00 Pxc 0.6732965E+01 Qxc -0.3932546E+01 3,-1 144 3 -1 1.373279 -2.124949 -2.120550 Rho 0.6363441E-02 |GRAD(Rho)| 0.1799424E-14 GRAD(Rho)x 0.1308928E-14 GRAD(Rho)y 0.8720003E-15 GRAD(Rho)z 0.8742138E-15 Laplacian 0.2621095E-01 (-1/4)Del**2(Rho)) -0.6552737E-02 Diamond 0.1060463E-02 Metallicity 0.5744917E+00 Ellipticity 0.1468110E+01 Gb(Abramov) 0.4995907E-02 Vb(Abramov) -0.3439077E-02 Hb(Abramov) 0.1556830E-02 Ex_ueg -0.8709122E-03 Ec_ueg -0.2060510E-03 Delta_ex -0.1511139E-02 Delta_ec 0.1083783E-02 Delta_et -0.6225853E-02 Pxc 0.4226684E+01 Qxc -0.1394319E+01 3,-1 145 3 +1 1.448599 2.100376 -1.019717 Rho 0.2452249E-01 |GRAD(Rho)| 0.7028762E-16 GRAD(Rho)x 0.1467061E-16 GRAD(Rho)y 0.6860930E-16 GRAD(Rho)z -0.4229146E-17 Laplacian 0.9489653E-01 (-1/4)Del**2(Rho)) -0.2372413E-01 Diamond 0.1076980E-01 Metallicity 0.1503039E+01 Ellipticity -0.2419206E+01 Gb(Abramov) 0.2175914E-01 Vb(Abramov) -0.1979415E-01 Hb(Abramov) 0.1964993E-02 Ex_ueg -0.5261841E-02 Ec_ueg -0.1064702E-02 Delta_ex -0.5725047E-02 Delta_ec 0.1348403E-02 Delta_et -0.1191078E-01 Pxc 0.4942078E+01 Qxc -0.4245798E+01 3,+1 146 3 -1 0.854469 2.980473 -1.939669 Rho 0.1446549E+00 |GRAD(Rho)| 0.1136758E-11 GRAD(Rho)x 0.8143770E-12 GRAD(Rho)y 0.4996657E-12 GRAD(Rho)z 0.6159076E-12 Laplacian 0.5658551E+00 (-1/4)Del**2(Rho)) -0.1414638E+00 Diamond 0.1099845E+01 Metallicity 0.4854337E+01 Ellipticity 0.4734316E-01 Gb(Abramov) 0.2087613E+00 Vb(Abramov) -0.2760589E+00 Hb(Abramov) -0.6729755E-01 Ex_ueg -0.5608275E-01 Ec_ueg -0.8102234E-02 Delta_ex -0.6025057E-01 Delta_ec 0.1452448E-01 Delta_et -0.1924378E+00 Pxc 0.6921887E+01 Qxc -0.4148208E+01 3,-1 147 3 +1 1.125961 -1.308495 2.160794 Rho 0.2525601E-01 |GRAD(Rho)| 0.5108220E-16 GRAD(Rho)x -0.2482685E-16 GRAD(Rho)y -0.3301439E-16 GRAD(Rho)z -0.3005112E-16 Laplacian 0.1000466E+00 (-1/4)Del**2(Rho)) -0.2501164E-01 Diamond 0.1419209E-01 Metallicity 0.1497450E+01 Ellipticity -0.5525588E+01 Gb(Abramov) 0.2291670E-01 Vb(Abramov) -0.2082177E-01 Hb(Abramov) 0.2094934E-02 Ex_ueg -0.5472739E-02 Ec_ueg -0.1101613E-02 Delta_ex -0.6338128E-02 Delta_ec 0.1874137E-02 Delta_et -0.1654496E-01 Pxc 0.4967934E+01 Qxc -0.3381892E+01 3,+1 148 3 +3 -0.249484 -0.640253 -2.750159 Rho 0.2995509E-02 |GRAD(Rho)| 0.2856126E-12 GRAD(Rho)x -0.1293764E-12 GRAD(Rho)y 0.2523880E-12 GRAD(Rho)z -0.3371342E-13 Laplacian 0.1189161E-01 (-1/4)Del**2(Rho)) -0.2972903E-02 Diamond 0.8851758E-04 Metallicity 0.3607089E+00 Ellipticity -0.5622252E+00 Gb(Abramov) 0.2160661E-02 Vb(Abramov) -0.1348419E-02 Hb(Abramov) 0.8122423E-03 Ex_ueg -0.3189182E-03 Ec_ueg -0.6169831E-04 Delta_ex -0.4440882E-03 Delta_ec 0.2073732E-03 Delta_et -0.1034169E-02 Pxc 0.5168994E+01 Qxc -0.2141492E+01 3,+3 149 3 +1 2.922179 0.163993 -0.131292 Rho 0.4805040E-02 |GRAD(Rho)| 0.5625632E-17 GRAD(Rho)x -0.7866854E-18 GRAD(Rho)y 0.4161934E-17 GRAD(Rho)z 0.3702319E-17 Laplacian 0.1959028E-01 (-1/4)Del**2(Rho)) -0.4897570E-02 Diamond 0.4287755E-03 Metallicity 0.4812833E+00 Ellipticity -0.2770507E+01 Gb(Abramov) 0.3657900E-02 Vb(Abramov) -0.2418230E-02 Hb(Abramov) 0.1239670E-02 Ex_ueg -0.5988449E-03 Ec_ueg -0.1385325E-03 Delta_ex -0.9623859E-03 Delta_ec 0.6093830E-03 Delta_et -0.3273196E-02 Pxc 0.4322775E+01 Qxc -0.1579279E+01 3,+1 150 3 +1 1.366936 1.033219 -2.207575 Rho 0.3002507E-01 |GRAD(Rho)| 0.1474831E-16 GRAD(Rho)x -0.1055947E-16 GRAD(Rho)y 0.2648658E-17 GRAD(Rho)z 0.9949615E-17 Laplacian 0.1198668E+00 (-1/4)Del**2(Rho)) -0.2996670E-01 Diamond 0.1997852E-01 Metallicity 0.1667455E+01 Ellipticity -0.4237447E+01 Gb(Abramov) 0.2830583E-01 Vb(Abramov) -0.2664495E-01 Hb(Abramov) 0.1660878E-02 Ex_ueg -0.6892293E-02 Ec_ueg -0.1344900E-02 Delta_ex -0.7814210E-02 Delta_ec 0.2003953E-02 Delta_et -0.1848940E-01 Pxc 0.5124761E+01 Qxc -0.3899397E+01 3,+1 151 3 -1 1.683384 0.419879 -1.814397 Rho 0.4608527E-01 |GRAD(Rho)| 0.2864594E-15 GRAD(Rho)x 0.2472400E-15 GRAD(Rho)y 0.1234392E-15 GRAD(Rho)z -0.7545962E-16 Laplacian 0.1814548E+00 (-1/4)Del**2(Rho)) -0.4536370E-01 Diamond 0.8230527E-01 Metallicity 0.2249650E+01 Ellipticity 0.3285613E-01 Gb(Abramov) 0.4725120E-01 Vb(Abramov) -0.4913871E-01 Hb(Abramov) -0.1887505E-02 Ex_ueg -0.1220303E-01 Ec_ueg -0.2199652E-02 Delta_ex -0.1463203E-01 Delta_ec 0.5407434E-02 Delta_et -0.5581124E-01 Pxc 0.5547711E+01 Qxc -0.2705910E+01 3,-1 152 3 -1 1.767880 0.537505 2.767398 Rho 0.1341462E+00 |GRAD(Rho)| 0.2249846E-15 GRAD(Rho)x -0.1831760E-15 GRAD(Rho)y 0.1306193E-15 GRAD(Rho)z 0.1802486E-17 Laplacian 0.5637850E+00 (-1/4)Del**2(Rho)) -0.1409463E+00 Diamond 0.9962412E+00 Metallicity 0.4296654E+01 Ellipticity 0.1133689E-01 Gb(Abramov) 0.1948970E+00 Vb(Abramov) -0.2488478E+00 Hb(Abramov) -0.5395079E-01 Ex_ueg -0.5071732E-01 Ec_ueg -0.7436504E-02 Delta_ex -0.5888500E-01 Delta_ec 0.1464281E-01 Delta_et -0.1916063E+00 Pxc 0.6820049E+01 Qxc -0.4021428E+01 3,-1 153 3 -1 1.957094 -3.025088 0.861680 Rho 0.1193775E+00 |GRAD(Rho)| 0.4994301E-15 GRAD(Rho)x -0.3362246E-15 GRAD(Rho)y -0.1269126E-15 GRAD(Rho)z 0.3468092E-15 Laplacian 0.4585041E+00 (-1/4)Del**2(Rho)) -0.1146260E+00 Diamond 0.7160058E+00 Metallicity 0.4349850E+01 Ellipticity 0.2203473E-01 Gb(Abramov) 0.1595184E+00 Vb(Abramov) -0.2044107E+00 Hb(Abramov) -0.4489233E-01 Ex_ueg -0.4341254E-01 Ec_ueg -0.6513143E-02 Delta_ex -0.4672369E-01 Delta_ec 0.1252692E-01 Delta_et -0.1612501E+00 Pxc 0.6665375E+01 Qxc -0.3729862E+01 3,-1 154 3 -1 1.759712 -2.955249 -0.553267 Rho 0.2208870E+00 |GRAD(Rho)| 0.5958952E-15 GRAD(Rho)x 0.3964927E-15 GRAD(Rho)y 0.1917954E-15 GRAD(Rho)z 0.4013716E-15 Laplacian 0.8635648E+00 (-1/4)Del**2(Rho)) -0.2158912E+00 Diamond 0.2729953E+01 Metallicity 0.6440729E+01 Ellipticity 0.2279549E-01 Gb(Abramov) 0.3756769E+00 Vb(Abramov) -0.5354627E+00 Hb(Abramov) -0.1597857E+00 Ex_ueg -0.9861550E-01 Ec_ueg -0.1312790E-01 Delta_ex -0.1019075E+00 Delta_ec 0.1918212E-01 Delta_et -0.2632849E+00 Pxc 0.7511902E+01 Qxc -0.5312629E+01 3,-1 155 3 -1 1.775294 1.680630 -0.582328 Rho 0.3341712E-01 |GRAD(Rho)| 0.4230209E-16 GRAD(Rho)x 0.3780859E-16 GRAD(Rho)y 0.5851833E-17 GRAD(Rho)z 0.1804810E-16 Laplacian 0.1378183E+00 (-1/4)Del**2(Rho)) -0.3445458E-01 Diamond 0.4070989E-01 Metallicity 0.1733489E+01 Ellipticity 0.3747804E-01 Gb(Abramov) 0.3292416E-01 Vb(Abramov) -0.3139374E-01 Hb(Abramov) 0.1530419E-02 Ex_ueg -0.7949571E-02 Ec_ueg -0.1521176E-02 Delta_ex -0.1028837E-01 Delta_ec 0.4158902E-02 Delta_et -0.3935591E-01 Pxc 0.5225939E+01 Qxc -0.2473819E+01 3,-1 156 3 +1 2.042552 1.989258 -1.979187 Rho 0.1172116E-01 |GRAD(Rho)| 0.1315919E-13 GRAD(Rho)x -0.8253368E-14 GRAD(Rho)y -0.7704733E-14 GRAD(Rho)z 0.6758942E-14 Laplacian 0.5481338E-01 (-1/4)Del**2(Rho)) -0.1370335E-01 Diamond 0.1673636E-02 Metallicity 0.7603459E+00 Ellipticity -0.1092233E+01 Gb(Abramov) 0.1087211E-01 Vb(Abramov) -0.8040876E-02 Hb(Abramov) 0.2831235E-02 Ex_ueg -0.1966434E-02 Ec_ueg -0.4467123E-03 Delta_ex -0.2542581E-02 Delta_ec 0.4702748E-03 Delta_et -0.3693682E-02 Pxc 0.4402015E+01 Qxc -0.5406586E+01 3,+1 157 3 +1 2.140798 -1.393190 1.072569 Rho 0.2788245E-01 |GRAD(Rho)| 0.8332213E-14 GRAD(Rho)x 0.3337121E-14 GRAD(Rho)y -0.6253810E-14 GRAD(Rho)z -0.4379413E-14 Laplacian 0.1108961E+00 (-1/4)Del**2(Rho)) -0.2772402E-01 Diamond 0.1690400E-01 Metallicity 0.1593120E+01 Ellipticity -0.4046515E+01 Gb(Abramov) 0.2584396E-01 Vb(Abramov) -0.2396390E-01 Hb(Abramov) 0.1880057E-02 Ex_ueg -0.6244432E-02 Ec_ueg -0.1234908E-02 Delta_ex -0.7106345E-02 Delta_ec 0.1889865E-02 Delta_et -0.1712808E-01 Pxc 0.5056597E+01 Qxc -0.3760240E+01 3,+1 158 3 -1 1.945027 -0.856400 3.020365 Rho 0.1437907E+00 |GRAD(Rho)| 0.2406921E-12 GRAD(Rho)x 0.1488444E-12 GRAD(Rho)y -0.5932590E-13 GRAD(Rho)z 0.1796064E-12 Laplacian 0.5643578E+00 (-1/4)Del**2(Rho)) -0.1410895E+00 Diamond 0.1091651E+01 Metallicity 0.4818850E+01 Ellipticity 0.3947057E-01 Gb(Abramov) 0.2073745E+00 Vb(Abramov) -0.2736595E+00 Hb(Abramov) -0.6628501E-01 Ex_ueg -0.5563647E-01 Ec_ueg -0.8047224E-02 Delta_ex -0.6003042E-01 Delta_ec 0.1455595E-01 Delta_et -0.1927907E+00 Pxc 0.6913747E+01 Qxc -0.4124116E+01 3,-1 159 3 -1 1.867000 -0.646467 -3.038348 Rho 0.2385270E+00 |GRAD(Rho)| 0.1663300E-15 GRAD(Rho)x 0.1470178E-15 GRAD(Rho)y 0.7518942E-16 GRAD(Rho)z 0.1994932E-16 Laplacian 0.9064600E+00 (-1/4)Del**2(Rho)) -0.2266150E+00 Diamond 0.3155892E+01 Metallicity 0.6974188E+01 Ellipticity 0.1276626E-01 Gb(Abramov) 0.4144859E+00 Vb(Abramov) -0.6023569E+00 Hb(Abramov) -0.1878709E+00 Ex_ueg -0.1092534E+00 Ec_ueg -0.1433735E-01 Delta_ex -0.1092016E+00 Delta_ec 0.1980870E-01 Delta_et -0.2732208E+00 Pxc 0.7620198E+01 Qxc -0.5512808E+01 3,-1 160 3 -1 2.028976 2.976626 -0.833244 Rho 0.1242922E+00 |GRAD(Rho)| 0.4138504E-13 GRAD(Rho)x 0.3249742E-13 GRAD(Rho)y 0.1073290E-13 GRAD(Rho)z 0.2326895E-13 Laplacian 0.4800121E+00 (-1/4)Del**2(Rho)) -0.1200030E+00 Diamond 0.7714372E+00 Metallicity 0.4443931E+01 Ellipticity 0.3492534E-01 Gb(Abramov) 0.1688829E+00 Vb(Abramov) -0.2177627E+00 Hb(Abramov) -0.4887986E-01 Ex_ueg -0.4581174E-01 Ec_ueg -0.6818777E-02 Delta_ex -0.4919001E-01 Delta_ec 0.1263992E-01 Delta_et -0.1632615E+00 Pxc 0.6718469E+01 Qxc -0.3891639E+01 3,-1 161 3 -1 1.972830 0.812118 -3.031614 Rho 0.1297619E+00 |GRAD(Rho)| 0.1731793E-15 GRAD(Rho)x 0.1739467E-16 GRAD(Rho)y -0.1366366E-15 GRAD(Rho)z 0.1049711E-15 Laplacian 0.4970379E+00 (-1/4)Del**2(Rho)) -0.1242595E+00 Diamond 0.8570986E+00 Metallicity 0.4611077E+01 Ellipticity 0.2810004E-01 Gb(Abramov) 0.1783346E+00 Vb(Abramov) -0.2324098E+00 Hb(Abramov) -0.5407517E-01 Ex_ueg -0.4851932E-01 Ec_ueg -0.7160864E-02 Delta_ex -0.5165739E-01 Delta_ec 0.1329703E-01 Delta_et -0.1736089E+00 Pxc 0.6775623E+01 Qxc -0.3884881E+01 3,-1 162 3 +1 2.202211 1.040937 -1.411659 Rho 0.2369527E-01 |GRAD(Rho)| 0.2981019E-16 GRAD(Rho)x 0.1810529E-16 GRAD(Rho)y -0.1095370E-16 GRAD(Rho)z -0.2099672E-16 Laplacian 0.9150755E-01 (-1/4)Del**2(Rho)) -0.2287689E-01 Diamond 0.1103994E-01 Metallicity 0.1472060E+01 Ellipticity -0.3321680E+01 Gb(Abramov) 0.2086395E-01 Vb(Abramov) -0.1885102E-01 Hb(Abramov) 0.2012936E-02 Ex_ueg -0.5026518E-02 Ec_ueg -0.1023250E-02 Delta_ex -0.5601524E-02 Delta_ec 0.1536756E-02 Delta_et -0.1339212E-01 Pxc 0.4912307E+01 Qxc -0.3645032E+01 3,+1 163 3 +3 1.980109 1.917661 -1.914771 Rho 0.1170234E-01 |GRAD(Rho)| 0.9543144E-17 GRAD(Rho)x 0.2806306E-17 GRAD(Rho)y -0.1706623E-17 GRAD(Rho)z 0.8960116E-17 Laplacian 0.5439379E-01 (-1/4)Del**2(Rho)) -0.1359845E-01 Diamond 0.1386344E-02 Metallicity 0.7641615E+00 Ellipticity -0.8782672E+00 Gb(Abramov) 0.1079753E-01 Vb(Abramov) -0.7996619E-02 Hb(Abramov) 0.2800914E-02 Ex_ueg -0.1962225E-02 Ec_ueg -0.4458455E-03 Delta_ex -0.2441074E-02 Delta_ec 0.3222003E-03 Delta_et -0.2700003E-02 Pxc 0.4401131E+01 Qxc -0.7576263E+01 3,+3 164 3 -1 1.856277 2.772886 0.542338 Rho 0.1031021E+00 |GRAD(Rho)| 0.4081678E-15 GRAD(Rho)x 0.2694717E-15 GRAD(Rho)y -0.1220981E-15 GRAD(Rho)z -0.2812082E-15 Laplacian 0.4330088E+00 (-1/4)Del**2(Rho)) -0.1082522E+00 Diamond 0.5541651E+00 Metallicity 0.3607688E+01 Ellipticity 0.8421854E-02 Gb(Abramov) 0.1372582E+00 Vb(Abramov) -0.1662641E+00 Hb(Abramov) -0.2900597E-01 Ex_ueg -0.3570605E-01 Ec_ueg -0.5513347E-02 Delta_ex -0.4242436E-01 Delta_ec 0.1185841E-01 Delta_et -0.1480200E+00 Pxc 0.6476293E+01 Qxc -0.3577576E+01 3,-1 165 3 -1 2.960063 -0.859387 2.014055 Rho 0.1720766E+00 |GRAD(Rho)| 0.4435548E-14 GRAD(Rho)x -0.1846220E-14 GRAD(Rho)y 0.3218535E-14 GRAD(Rho)z 0.2430348E-14 Laplacian 0.6704130E+00 (-1/4)Del**2(Rho)) -0.1676032E+00 Diamond 0.1596477E+01 Metallicity 0.5471928E+01 Ellipticity 0.5112963E-01 Gb(Abramov) 0.2645876E+00 Vb(Abramov) -0.3615720E+00 Hb(Abramov) -0.9698440E-01 Ex_ueg -0.7068828E-01 Ec_ueg -0.9871407E-02 Delta_ex -0.7444313E-01 Delta_ec 0.1634354E-01 Delta_et -0.2211506E+00 Pxc 0.7160913E+01 Qxc -0.4554896E+01 3,-1 166 3 -1 2.724077 -0.632966 -1.857509 Rho 0.1373228E+00 |GRAD(Rho)| 0.2383476E-15 GRAD(Rho)x 0.1240734E-16 GRAD(Rho)y -0.1497283E-15 GRAD(Rho)z 0.1850327E-15 Laplacian 0.5640927E+00 (-1/4)Del**2(Rho)) -0.1410232E+00 Diamond 0.1033627E+01 Metallicity 0.4465127E+01 Ellipticity 0.6094611E-02 Gb(Abramov) 0.1989632E+00 Vb(Abramov) -0.2569032E+00 Hb(Abramov) -0.5794001E-01 Ex_ueg -0.5232493E-01 Ec_ueg -0.7636998E-02 Delta_ex -0.5934710E-01 Delta_ec 0.1473645E-01 Delta_et -0.1938736E+00 Pxc 0.6851504E+01 Qxc -0.4027232E+01 3,-1 167 3 -1 3.232010 -0.088746 -3.227750 Rho 0.2337050E+00 |GRAD(Rho)| 0.9366361E-11 GRAD(Rho)x 0.7484716E-11 GRAD(Rho)y -0.5704032E-12 GRAD(Rho)z -0.5601998E-11 Laplacian 0.8577761E+00 (-1/4)Del**2(Rho)) -0.2144440E+00 Diamond 0.2937856E+01 Metallicity 0.7123376E+01 Ellipticity 0.1851608E-01 Gb(Abramov) 0.3975569E+00 Vb(Abramov) -0.5806698E+00 Hb(Abramov) -0.1831129E+00 Ex_ueg -0.1063185E+00 Ec_ueg -0.1400504E-01 Delta_ex -0.1029190E+00 Delta_ec 0.1909457E-01 Delta_et -0.2642144E+00 Pxc 0.7591448E+01 Qxc -0.5389963E+01 3,-1 168 3 -1 3.161549 0.040753 3.232114 Rho 0.2408523E+00 |GRAD(Rho)| 0.6735570E-15 GRAD(Rho)x 0.1777007E-15 GRAD(Rho)y -0.7155734E-17 GRAD(Rho)z 0.6496539E-15 Laplacian 0.8758468E+00 (-1/4)Del**2(Rho)) -0.2189617E+00 Diamond 0.3111784E+01 Metallicity 0.7335612E+01 Ellipticity 0.5021499E-02 Gb(Abramov) 0.4136775E+00 Vb(Abramov) -0.6083933E+00 Hb(Abramov) -0.1947158E+00 Ex_ueg -0.1106758E+00 Ec_ueg -0.1449805E-01 Delta_ex -0.1059230E+00 Delta_ec 0.1933654E-01 Delta_et -0.2679151E+00 Pxc 0.7633842E+01 Qxc -0.5477869E+01 3,-1 169 3 -1 2.973222 0.805777 -2.021411 Rho 0.7137262E-01 |GRAD(Rho)| 0.1720507E-14 GRAD(Rho)x 0.7398596E-15 GRAD(Rho)y 0.1242487E-14 GRAD(Rho)z 0.9321903E-15 Laplacian 0.2837522E+00 (-1/4)Del**2(Rho)) -0.7093804E-01 Diamond 0.2314284E+00 Metallicity 0.2982360E+01 Ellipticity 0.1425408E-02 Gb(Abramov) 0.8255249E-01 Vb(Abramov) -0.9416693E-01 Hb(Abramov) -0.1161445E-01 Ex_ueg -0.2186556E-01 Ec_ueg -0.3626536E-02 Delta_ex -0.2552372E-01 Delta_ec 0.8339283E-02 Delta_et -0.9616601E-01 Pxc 0.6029323E+01 Qxc -0.3060661E+01 3,-1 170 3 -1 2.768803 0.563314 1.837978 Rho 0.1345489E+00 |GRAD(Rho)| 0.2627162E-15 GRAD(Rho)x 0.2926668E-16 GRAD(Rho)y 0.2220039E-15 GRAD(Rho)z -0.1373955E-15 Laplacian 0.5649337E+00 (-1/4)Del**2(Rho)) -0.1412334E+00 Diamond 0.1006622E+01 Metallicity 0.4309391E+01 Ellipticity 0.1312147E-01 Gb(Abramov) 0.1955940E+00 Vb(Abramov) -0.2499545E+00 Hb(Abramov) -0.5436054E-01 Ex_ueg -0.5092041E-01 Ec_ueg -0.7461884E-02 Delta_ex -0.5910256E-01 Delta_ec 0.1475969E-01 Delta_et -0.1934188E+00 Pxc 0.6824070E+01 Qxc -0.4004323E+01 3,-1 171 3 -1 3.165969 -3.223753 -0.089474 Rho 0.2348739E+00 |GRAD(Rho)| 0.3265035E-14 GRAD(Rho)x 0.4691343E-15 GRAD(Rho)y -0.2559856E-14 GRAD(Rho)z 0.1971676E-14 Laplacian 0.8694074E+00 (-1/4)Del**2(Rho)) -0.2173519E+00 Diamond 0.2987049E+01 Metallicity 0.7086762E+01 Ellipticity 0.1494633E-01 Gb(Abramov) 0.4016214E+00 Vb(Abramov) -0.5858909E+00 Hb(Abramov) -0.1842695E+00 Ex_ueg -0.1070282E+00 Ec_ueg -0.1408548E-01 Delta_ex -0.1044032E+00 Delta_ec 0.1924131E-01 Delta_et -0.2659381E+00 Pxc 0.7598475E+01 Qxc -0.5425995E+01 3,-1 172 3 -1 3.061925 2.006395 -0.840916 Rho 0.1806156E+00 |GRAD(Rho)| 0.1565571E-15 GRAD(Rho)x 0.1513411E-15 GRAD(Rho)y 0.3892286E-16 GRAD(Rho)z -0.9540979E-17 Laplacian 0.6967169E+00 (-1/4)Del**2(Rho)) -0.1741792E+00 Diamond 0.1743994E+01 Metallicity 0.5707977E+01 Ellipticity 0.6199265E-01 Gb(Abramov) 0.2818213E+00 Vb(Abramov) -0.3894634E+00 Hb(Abramov) -0.1076421E+00 Ex_ueg -0.7540359E-01 Ec_ueg -0.1043138E-01 Delta_ex -0.7819847E-01 Delta_ec 0.1656945E-01 Delta_et -0.2247742E+00 Pxc 0.7228533E+01 Qxc -0.4719436E+01 3,-1 173 3 -1 2.712082 -1.839072 -0.610402 Rho 0.1415065E+00 |GRAD(Rho)| 0.2954732E-12 GRAD(Rho)x -0.5830059E-13 GRAD(Rho)y -0.2288470E-12 GRAD(Rho)z 0.1775795E-12 Laplacian 0.5841970E+00 (-1/4)Del**2(Rho)) -0.1460493E+00 Diamond 0.1106355E+01 Metallicity 0.4532604E+01 Ellipticity 0.7086591E-02 Gb(Abramov) 0.2076967E+00 Vb(Abramov) -0.2693442E+00 Hb(Abramov) -0.6164748E-01 Ex_ueg -0.5446116E-01 Ec_ueg -0.7902044E-02 Delta_ex -0.6187545E-01 Delta_ec 0.1508550E-01 Delta_et -0.1992418E+00 Pxc 0.6892035E+01 Qxc -0.4101650E+01 3,-1 174 3 -1 -3.240941 0.085952 -3.187204 Rho 0.2333271E+00 |GRAD(Rho)| 0.1418220E-12 GRAD(Rho)x 0.1113363E-12 GRAD(Rho)y -0.4852100E-13 GRAD(Rho)z 0.7323536E-13 Laplacian 0.8646125E+00 (-1/4)Del**2(Rho)) -0.2161531E+00 Diamond 0.2950138E+01 Metallicity 0.7048017E+01 Ellipticity 0.2249000E-01 Gb(Abramov) 0.3980106E+00 Vb(Abramov) -0.5798680E+00 Hb(Abramov) -0.1818574E+00 Ex_ueg -0.1060894E+00 Ec_ueg -0.1397905E-01 Delta_ex -0.1036659E+00 Delta_ec 0.1920286E-01 Delta_et -0.2654693E+00 Pxc 0.7589168E+01 Qxc -0.5398460E+01 3,-1 175 3 -1 -3.018555 1.960881 0.870223 Rho 0.1235919E+00 |GRAD(Rho)| 0.1345936E-15 GRAD(Rho)x 0.8229433E-16 GRAD(Rho)y -0.9707675E-16 GRAD(Rho)z 0.4380854E-16 Laplacian 0.4751004E+00 (-1/4)Del**2(Rho)) -0.1187751E+00 Diamond 0.7601339E+00 Metallicity 0.4447791E+01 Ellipticity 0.3844171E-01 Gb(Abramov) 0.1672312E+00 Vb(Abramov) -0.2156873E+00 Hb(Abramov) -0.4845610E-01 Ex_ueg -0.4546791E-01 Ec_ueg -0.6775126E-02 Delta_ex -0.4864339E-01 Delta_ec 0.1256781E-01 Delta_et -0.1622467E+00 Pxc 0.6711007E+01 Qxc -0.3870474E+01 3,-1 176 3 -1 -0.833621 2.010240 2.981604 Rho 0.1188351E+00 |GRAD(Rho)| 0.5941512E-15 GRAD(Rho)x -0.4900662E-15 GRAD(Rho)y -0.2283533E-15 GRAD(Rho)z 0.2463849E-15 Laplacian 0.4694256E+00 (-1/4)Del**2(Rho)) -0.1173564E+00 Diamond 0.7202407E+00 Metallicity 0.4216522E+01 Ellipticity 0.2023101E-01 Gb(Abramov) 0.1607103E+00 Vb(Abramov) -0.2040641E+00 Hb(Abramov) -0.4335384E-01 Ex_ueg -0.4314974E-01 Ec_ueg -0.6479514E-02 Delta_ex -0.4766520E-01 Delta_ec 0.1262491E-01 Delta_et -0.1620390E+00 Pxc 0.6659409E+01 Qxc -0.3775488E+01 3,-1 177 3 -1 0.875750 1.995288 -2.959945 Rho 0.1438120E+00 |GRAD(Rho)| 0.3396038E-15 GRAD(Rho)x -0.3172647E-15 GRAD(Rho)y 0.1209834E-15 GRAD(Rho)z 0.6071532E-17 Laplacian 0.5692031E+00 (-1/4)Del**2(Rho)) -0.1423008E+00 Diamond 0.1093822E+01 Metallicity 0.4779011E+01 Ellipticity 0.5879278E-01 Gb(Abramov) 0.2082100E+00 Vb(Abramov) -0.2741192E+00 Hb(Abramov) -0.6590923E-01 Ex_ueg -0.5564747E-01 Ec_ueg -0.8048580E-02 Delta_ex -0.6047006E-01 Delta_ec 0.1454124E-01 Delta_et -0.1923001E+00 Pxc 0.6913949E+01 Qxc -0.4158523E+01 3,-1 178 3 -1 2.822157 1.815248 0.576781 Rho 0.1342200E+00 |GRAD(Rho)| 0.4273729E-15 GRAD(Rho)x -0.3264465E-16 GRAD(Rho)y -0.3448441E-15 GRAD(Rho)z 0.2503287E-15 Laplacian 0.5590200E+00 (-1/4)Del**2(Rho)) -0.1397550E+00 Diamond 0.9784257E+00 Metallicity 0.4337251E+01 Ellipticity 0.1913372E-01 Gb(Abramov) 0.1941954E+00 Vb(Abramov) -0.2486359E+00 Hb(Abramov) -0.5444042E-01 Ex_ueg -0.5075452E-01 Ec_ueg -0.7441154E-02 Delta_ex -0.5827901E-01 Delta_ec 0.1430986E-01 Delta_et -0.1868587E+00 Pxc 0.6820786E+01 Qxc -0.4072647E+01 3,-1 179 3 -1 2.915889 -2.008433 0.826166 Rho 0.9178232E-01 |GRAD(Rho)| 0.1190358E-15 GRAD(Rho)x -0.1592083E-16 GRAD(Rho)y 0.4001722E-16 GRAD(Rho)z 0.1109715E-15 Laplacian 0.3643820E+00 (-1/4)Del**2(Rho)) -0.9109551E-01 Diamond 0.4053379E+00 Metallicity 0.3531733E+01 Ellipticity 0.4643760E-02 Gb(Abramov) 0.1143512E+00 Vb(Abramov) -0.1376068E+00 Hb(Abramov) -0.2325567E-01 Ex_ueg -0.3057716E-01 Ec_ueg -0.4830003E-02 Delta_ex -0.3474909E-01 Delta_ec 0.1023991E-01 Delta_et -0.1248795E+00 Pxc 0.6330670E+01 Qxc -0.3393497E+01 3,-1 180 3 -1 3.263355 3.192892 0.062434 Rho 0.2299110E+00 |GRAD(Rho)| 0.4585651E-15 GRAD(Rho)x 0.1020234E-15 GRAD(Rho)y 0.4321630E-15 GRAD(Rho)z 0.1144917E-15 Laplacian 0.8173903E+00 (-1/4)Del**2(Rho)) -0.2043476E+00 Diamond 0.2764754E+01 Metallicity 0.7274168E+01 Ellipticity 0.4064747E-02 Gb(Abramov) 0.3839748E+00 Vb(Abramov) -0.5636021E+00 Hb(Abramov) -0.1796272E+00 Ex_ueg -0.1040235E+00 Ec_ueg -0.1374448E-01 Delta_ex -0.9776834E-01 Delta_ec 0.1848204E-01 Delta_et -0.2563917E+00 Pxc 0.7568384E+01 Qxc -0.5289911E+01 3,-1 181 3 -1 -0.559852 -0.529698 -0.533199 Rho 0.1876548E+00 |GRAD(Rho)| 0.1146493E-15 GRAD(Rho)x 0.2775558E-16 GRAD(Rho)y 0.1110223E-15 GRAD(Rho)z -0.6938894E-17 Laplacian 0.5055294E+00 (-1/4)Del**2(Rho)) -0.1263824E+00 Diamond 0.1352296E+01 Metallicity 0.8384286E+01 Ellipticity 0.2694460E-01 Gb(Abramov) 0.2608592E+00 Vb(Abramov) -0.3953361E+00 Hb(Abramov) -0.1344769E+00 Ex_ueg -0.7934713E-01 Ec_ueg -0.1089615E-01 Delta_ex -0.5749433E-01 Delta_ec 0.1226183E-01 Delta_et -0.1681067E+00 Pxc 0.7282127E+01 Qxc -0.4688886E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 132 127 125 143 142 131 139 181 140 118 134 121 129 177 146 136 122 135 110 176 109 137 53 173 154 179 153 171 155 178 164 172 160 180 64 74 100 175 102 65 98 75 99 66 89 62 85 73 105 67 80 174 91 84 87 71 90 108 133 170 152 165 158 168 151 166 159 169 161 167 128 54 144 111 78 101 116 117 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 28 36 24 27 52 52 2.421347 1.983681 1.905776 1.971363 1.912089 1.730649 1.709690 1.694181 1.711553 1.714785 2.345925 1.942889 1.932179 1.940484 1.938776 1.741157 2.398238 1.936446 1.871947 2.016494 1.909115 1.744579 2.362595 1.935481 1.772891 2.122933 2.016461 1.751631 2.518431 1.932034 2.039841 1.827210 1.975908 1.733392 2.421042 1.813755 1.958926 1.979270 2.040193 1.738223 2.327280 1.920002 1.998906 1.919552 1.935704 1.739931 2.326235 2.211191 1.949105 1.993679 1.750751 1.754406 2.393227 1.976218 1.908756 1.942603 1.906388 1.741595 2.453413 1.954735 1.957215 1.871936 1.940559 1.742226 2.402203 1.947622 1.745908 2.224402 1.982979 1.753765 3.170348 3.186425 3.114964 3.236744 3.220367 3.221097 1.798012 1.002292 2.422905 1.984264 1.906477 1.972181 1.912855 1.730667 1.709702 1.694231 1.711570 1.714795 2.347619 1.943271 1.932720 1.941135 1.939399 1.741167 2.400177 1.936847 1.872357 2.017085 1.909662 1.744588 2.364199 1.935903 1.772999 2.123513 2.016986 1.751650 2.519848 1.932613 2.040440 1.827675 1.976688 1.733413 2.422395 1.814154 1.959399 1.980037 2.040970 1.738250 2.329370 1.920542 1.999384 1.920229 1.936981 1.739947 2.328455 2.211641 1.949501 1.994347 1.750758 1.754426 2.395042 1.976608 1.909300 1.943226 1.906931 1.741603 2.455070 1.955185 1.957666 1.872411 1.941137 1.742237 2.404072 1.948014 1.745924 2.224885 1.983591 1.753791 3.174986 3.193391 3.137330 3.239915 3.228662 3.226046 1.800278 1.002413 29 26 27 28 26 23 22 22 22 22 30 27 27 25 28 23 31 29 29 25 27 24 30 25 24 27 26 23 32 24 27 23 26 24 29 24 26 24 27 24 30 27 27 28 27 23 30 28 27 28 23 23 30 27 27 28 28 25 32 25 27 26 27 23 29 25 24 27 26 23 35 35 33 35 35 35 26 23 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 Mo As W W W Mo Mo W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3287 2.4757 2.4551 2.4683 2.3776 2.2992 2.3230 2.4598 2.3894 2.4548 2.4482 2.3429 -1.1230 -1.0365 -1.1199 -1.1164 -0.9568 -0.9917 -0.8689 -0.9391 -0.7607 -0.9646 -0.9799 -0.9300 -0.9367 -0.9234 -0.9322 -0.8267 -0.9602 -0.9868 -0.8777 -0.9432 -0.9380 -0.9820 -0.9674 -0.7918 -0.7940 -0.9502 -0.9285 -0.9387 -0.7220 -0.8319 -0.7945 -0.8112 -0.8256 -0.7330 -0.7434 -0.7895 -0.8258 -0.8001 -0.8040 0.3233 1.9578 0.8279 2.0939 2.0846 2.1224 1.9738 1.9605 2.1115 2.1262 2.0914 2.0931 2.1320 1.9374 1.9461 1.9380 1.9345 1.9324 1.9304 1.9529 1.9343 1.9677 1.9316 1.9295 1.9344 1.9345 1.9361 1.9359 1.9637 1.9451 1.9406 1.9554 1.9434 1.9425 1.9417 1.9433 1.9597 1.8779 1.9433 1.9452 1.9425 1.9754 1.9589 1.9645 1.9621 1.9600 1.9743 1.9722 1.9647 1.9585 1.9638 1.9633 0.5305 6.0721 1.1497 6.0981 6.0883 6.1115 6.0782 6.0705 6.0980 6.0916 6.0943 6.0964 6.1146 5.1478 5.0528 5.1443 5.1445 4.9950 5.0321 4.8874 4.9775 4.7568 5.0040 5.0217 4.9677 4.9745 4.9594 4.9681 4.8301 4.9855 5.0146 4.8940 4.9706 4.9660 5.0092 4.9925 4.7984 4.8857 4.9785 4.9538 4.9669 4.7136 4.8398 4.7948 4.8146 4.8322 4.7260 4.7395 4.7897 4.8342 4.8013 4.8057 0.1462 3.6414 10.5467 3.3236 3.3293 3.3599 3.6487 3.6460 3.3016 3.3645 3.3300 3.3331 3.3824 0.0378 0.0376 0.0376 0.0373 0.0294 0.0292 0.0285 0.0273 0.0361 0.0290 0.0287 0.0279 0.0277 0.0279 0.0282 0.0329 0.0296 0.0316 0.0284 0.0292 0.0295 0.0311 0.0316 0.0337 0.0304 0.0283 0.0294 0.0293 0.0331 0.0331 0.0351 0.0345 0.0334 0.0327 0.0317 0.0351 0.0331 0.0350 0.0350 0.0000 0.0000 0.0000 14.0294 14.0295 14.0286 0.0000 0.0000 14.0291 14.0282 14.0294 14.0292 14.0280 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 Mo As W W W Mo Mo 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 3.174012 2.317295 2.513655 2.505390 2.478466 3.165333 3.165498 2.526825 2.488991 2.507753 2.504584 2.463234 -1.129197 -1.034474 -1.118031 -1.132945 -0.964843 -0.983252 -1.087325 -1.088937 -0.823299 -0.974622 -0.971498 -1.069830 -1.082740 -1.083963 -1.057523 -0.803014 -0.954084 -0.951164 -1.076448 -1.062601 -1.060342 -0.957406 -0.952091 -0.839163 -0.614489 -1.054150 -1.069770 -1.059914 -0.994241 -0.877185 -0.829935 -0.850333 -0.870855 -1.006903 -1.019820 -0.824220 -0.869449 -0.836031 -0.841181 0.066231 2.359133 1.710650 1.943457 1.940162 1.917391 2.357120 2.351327 1.961302 1.946000 1.941740 1.941085 1.930772 -0.787584 -0.712452 -0.780360 -0.796523 -0.720042 -0.728083 -0.845011 -0.828976 -0.712682 -0.723842 -0.713258 -0.825073 -0.826477 -0.825449 -0.829140 -0.660542 -0.801720 -0.768841 -0.884204 -0.872627 -0.868772 -0.785380 -0.788787 -0.742422 -0.790321 -0.881916 -0.872056 -0.866952 -0.774821 -0.781439 -0.728757 -0.748351 -0.775234 -0.785565 -0.802139 -0.714001 -0.780791 -0.731938 -0.739151 0.301540 2.449656 1.675041 2.050306 2.042382 2.006369 2.443247 2.434890 2.068486 2.035194 2.044429 2.045464 2.011597 -0.829279 -0.775061 -0.825967 -0.838259 -0.811861 -0.813067 -0.893763 -0.919533 -0.722226 -0.809124 -0.815523 -0.897665 -0.900940 -0.934049 -0.902560 -0.730956 -0.832825 -0.800429 -0.899808 -0.915546 -0.901939 -0.839839 -0.818262 -0.727805 -0.797211 -0.919061 -0.911272 -0.895847 -0.735323 -0.750686 -0.692333 -0.714142 -0.740212 -0.751952 -0.764065 -0.694160 -0.766759 -0.695831 -0.703789 0.381868 -0.32300117 -0.95586816 2.26839157 2.48266269 -15.40839180 5.46414990 -3.05069984 17.30937108 2.91847092 -1.90097928 -366.2746 409.0410 -66.3845 -383.7813 -42.6981 -450.0974 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:14 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.94105974 -16.35595747 -16.21553224 -16.26373353 -16.42306991 -16.47081201 -16.50936854 -16.51389709 -16.51671769 -16.51714700 -16.52075539 -16.52623029 -16.52997501 -16.53222522 -16.53291068 -16.53533315 -16.53493481 -16.53700345 -16.53541042 -16.53797256 -16.53587497 -16.53875750 -16.53623112 -16.53926456 -16.53779057 -16.53878776 -16.53953436 -16.53988558 -16.54041570 -16.54056287 -16.54061214 -16.54068158 -16.54074023 -16.54074860 -16.54076334 -16.54076844 -16.54077720 GEOMETRY CONVERGED