ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:08 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.03 0.04 2.58 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:17 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.05 1.44 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:27 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.05 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:38 Arsenic (TZP, 3p frozen) c10-34 c10-34 c10-34 c10-34 c10-34 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.05 2.27 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:01 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2569.377600000003 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-0.977219 -0.978133 Rho 0.3190107E+03 3,-3 15 3 -3 0.978566 0.977234 -0.988544 Rho 0.3190320E+03 3,-3 16 3 -3 -0.969425 0.968421 0.978428 Rho 0.3190120E+03 3,-3 17 3 -3 -3.014028 -1.155534 1.136543 Rho 0.3188744E+03 3,-3 18 3 -3 2.994141 -1.159999 -1.126975 Rho 0.3188758E+03 3,-3 19 3 -3 -2.980598 1.166576 -1.156856 Rho 0.3188728E+03 3,-3 20 3 -3 3.022089 1.165214 1.156144 Rho 0.3190455E+03 3,-3 21 3 -3 1.150598 -1.127359 -2.993811 Rho 0.3188729E+03 3,-3 22 3 -3 1.149740 1.127454 3.012849 Rho 0.3189438E+03 3,-3 23 3 -3 -1.175472 1.152081 -3.027180 Rho 0.3189654E+03 3,-3 24 3 -3 -1.185019 -1.153990 3.004336 Rho 0.3189410E+03 3,-3 25 3 -3 -1.130554 3.006533 -1.155794 Rho 0.3189430E+03 3,-3 26 3 -3 -1.151028 -2.999871 1.150077 Rho 0.3189463E+03 3,-3 27 3 -3 1.159525 2.988443 1.179225 Rho 0.3189471E+03 3,-3 28 3 -3 1.139326 -2.999380 -1.169754 Rho 0.3188709E+03 3,-3 29 3 -3 3.409915 -1.554536 1.520625 Rho 0.3190549E+03 3,-3 30 3 -3 -3.416240 -1.520463 -1.507133 Rho 0.3189863E+03 3,-3 31 3 -3 3.419331 1.524894 -1.492975 Rho 0.3190528E+03 3,-3 32 3 -3 -3.406338 1.523451 1.494026 Rho 0.3189799E+03 3,-3 33 3 -3 1.519959 -1.523538 3.417387 Rho 0.3191397E+03 3,-3 34 3 -3 1.540852 1.524188 -3.402544 Rho 0.3190633E+03 3,-3 35 3 -3 -1.530791 1.496386 3.412084 Rho 0.3189798E+03 3,-3 36 3 -3 -1.521087 -1.489256 -3.422022 Rho 0.3189787E+03 3,-3 37 3 -3 -1.513637 -3.404044 -1.542247 Rho 0.3189777E+03 3,-3 38 3 -3 -1.489829 3.403577 1.522795 Rho 0.3189809E+03 3,-3 39 3 -3 1.492691 -3.434112 1.514906 Rho 0.3190490E+03 3,-3 40 3 -3 1.513715 3.437577 -1.528126 Rho 0.3191358E+03 3,-3 41 3 -3 -0.209440 -3.722070 3.797032 Rho 0.3195504E+03 3,-3 42 3 -3 0.210584 -3.712157 -3.784257 Rho 0.3194053E+03 3,-3 43 3 -3 -0.226287 3.719819 -3.792522 Rho 0.3195549E+03 3,-3 44 3 -3 0.212007 3.704919 3.789109 Rho 0.3194038E+03 3,-3 45 3 -3 3.707419 -3.788529 -0.204283 Rho 0.3194053E+03 3,-3 46 3 -3 3.716663 3.812491 0.194606 Rho 0.3195542E+03 3,-3 47 3 -3 -3.706908 3.779926 -0.212268 Rho 0.3194047E+03 3,-3 48 3 -3 -3.712843 -3.784044 0.218579 Rho 0.3194004E+03 3,-3 49 3 -3 -3.798191 0.194151 -3.720557 Rho 0.3194064E+03 3,-3 50 3 -3 -3.792507 -0.206101 3.714701 Rho 0.3194054E+03 3,-3 51 3 -3 3.792331 0.221547 3.713044 Rho 0.3195490E+03 3,-3 52 3 -3 3.774085 -0.212884 -3.699669 Rho 0.3194047E+03 3,-3 53 3 -3 0.016053 -0.004936 -0.003419 Rho 0.4276078E+05 3,-3 54 3 +1 -1.650676 0.532968 -0.531101 Rho 0.8906905E-02 |GRAD(Rho)| 0.7837505E-17 GRAD(Rho)x -0.5193569E-17 GRAD(Rho)y -0.1833750E-17 GRAD(Rho)z -0.5575902E-17 Laplacian 0.3492201E-01 (-1/4)Del**2(Rho)) -0.8730503E-02 Diamond 0.9765383E-03 Metallicity 0.7551942E+00 Ellipticity -0.1449909E+01 Gb(Abramov) 0.6919206E-02 Vb(Abramov) -0.5107909E-02 Hb(Abramov) 0.1811297E-02 Ex_ueg -0.1363602E-02 Ec_ueg -0.3187327E-03 Delta_ex -0.1607997E-02 Delta_ec 0.4885099E-03 Delta_et -0.3371478E-02 Pxc 0.4278198E+01 Qxc -0.3291636E+01 3,+1 55 3 +1 -2.886712 -0.149449 -0.161205 Rho 0.5406644E-02 |GRAD(Rho)| 0.2480806E-15 GRAD(Rho)x -0.1040871E-16 GRAD(Rho)y -0.1698788E-15 GRAD(Rho)z -0.1804905E-15 Laplacian 0.2223381E-01 (-1/4)Del**2(Rho)) -0.5558451E-02 Diamond 0.5631751E-03 Metallicity 0.5161932E+00 Ellipticity -0.3093375E+01 Gb(Abramov) 0.4183840E-02 Vb(Abramov) -0.2809229E-02 Hb(Abramov) 0.1374611E-02 Ex_ueg -0.7008451E-03 Ec_ueg -0.1644541E-03 Delta_ex -0.1111636E-02 Delta_ec 0.6810052E-03 Delta_et -0.3793888E-02 Pxc 0.4261646E+01 Qxc -0.1632345E+01 3,+1 56 3 +1 0.204248 2.889773 -0.183543 Rho 0.5229649E-02 |GRAD(Rho)| 0.3564915E-14 GRAD(Rho)x 0.2457899E-14 GRAD(Rho)y 0.6220250E-15 GRAD(Rho)z -0.2506079E-14 Laplacian 0.2172420E-01 (-1/4)Del**2(Rho)) -0.5431050E-02 Diamond 0.4962937E-03 Metallicity 0.4997932E+00 Ellipticity -0.2173180E+01 Gb(Abramov) 0.4073100E-02 Vb(Abramov) -0.2715150E-02 Hb(Abramov) 0.1357950E-02 Ex_ueg -0.6704223E-03 Ec_ueg -0.1568089E-03 Delta_ex -0.1052938E-02 Delta_ec 0.6187366E-03 Delta_et -0.3432141E-02 Pxc 0.4275410E+01 Qxc -0.1701755E+01 3,+1 57 3 -1 -3.014213 -0.871875 -1.973520 Rho 0.1547755E+00 |GRAD(Rho)| 0.5465366E-12 GRAD(Rho)x 0.1914254E-12 GRAD(Rho)y 0.3916510E-12 GRAD(Rho)z -0.3296484E-12 Laplacian 0.6100528E+00 (-1/4)Del**2(Rho)) -0.1525132E+00 Diamond 0.1284965E+01 Metallicity 0.5039834E+01 Ellipticity 0.4850236E-01 Gb(Abramov) 0.2297823E+00 Vb(Abramov) -0.3070515E+00 Hb(Abramov) -0.7726913E-01 Ex_ueg -0.6137452E-01 Ec_ueg -0.8749914E-02 Delta_ex -0.6603378E-01 Delta_ec 0.1537953E-01 Delta_et -0.2056612E+00 Pxc 0.7014300E+01 Qxc -0.4293616E+01 3,-1 58 3 +1 -2.886574 0.160021 0.145362 Rho 0.5402458E-02 |GRAD(Rho)| 0.5526736E-17 GRAD(Rho)x 0.1220531E-17 GRAD(Rho)y 0.2974370E-17 GRAD(Rho)z -0.4495357E-17 Laplacian 0.2224999E-01 (-1/4)Del**2(Rho)) -0.5562497E-02 Diamond 0.5611863E-03 Metallicity 0.5151524E+00 Ellipticity -0.2978773E+01 Gb(Abramov) 0.4185920E-02 Vb(Abramov) -0.2809344E-02 Hb(Abramov) 0.1376577E-02 Ex_ueg -0.7001218E-03 Ec_ueg -0.1642731E-03 Delta_ex -0.1110757E-02 Delta_ec 0.6787916E-03 Delta_et -0.3781797E-02 Pxc 0.4261938E+01 Qxc -0.1636375E+01 3,+1 59 3 -1 -3.237839 -0.062622 3.170501 Rho 0.2531950E+00 |GRAD(Rho)| 0.3218115E-15 GRAD(Rho)x -0.2319108E-15 GRAD(Rho)y -0.1252525E-15 GRAD(Rho)z 0.1846396E-15 Laplacian 0.9187418E+00 (-1/4)Del**2(Rho)) -0.2296855E+00 Diamond 0.3453074E+01 Metallicity 0.7600549E+01 Ellipticity 0.1268061E-02 Gb(Abramov) 0.4440796E+00 Vb(Abramov) -0.6584737E+00 Hb(Abramov) -0.2143941E+00 Ex_ueg -0.1183020E+00 Ec_ueg -0.1535601E-01 Delta_ex -0.1125080E+00 Delta_ec 0.1986129E-01 Delta_et -0.2749831E+00 Pxc 0.7703951E+01 Qxc -0.5664688E+01 3,-1 60 3 -1 -2.011080 0.843795 2.978859 Rho 0.1384533E+00 |GRAD(Rho)| 0.6218948E-12 GRAD(Rho)x -0.4381948E-12 GRAD(Rho)y -0.2629390E-12 GRAD(Rho)z 0.3544030E-12 Laplacian 0.5459073E+00 (-1/4)Del**2(Rho)) -0.1364768E+00 Diamond 0.1008400E+01 Metallicity 0.4677349E+01 Ellipticity 0.3155411E-01 Gb(Abramov) 0.1973762E+00 Vb(Abramov) -0.2582755E+00 Hb(Abramov) -0.6089935E-01 Ex_ueg -0.5290006E-01 Ec_ueg -0.7708508E-02 Delta_ex -0.5752821E-01 Delta_ec 0.1419739E-01 Delta_et -0.1869462E+00 Pxc 0.6862555E+01 Qxc -0.4052027E+01 3,-1 61 3 -1 -3.246417 0.044328 -3.175081 Rho 0.2532096E+00 |GRAD(Rho)| 0.1225924E-14 GRAD(Rho)x 0.1055579E-14 GRAD(Rho)y -0.1657474E-15 GRAD(Rho)z 0.6009733E-15 Laplacian 0.9197154E+00 (-1/4)Del**2(Rho)) -0.2299289E+00 Diamond 0.3455862E+01 Metallicity 0.7593230E+01 Ellipticity 0.1413062E-02 Gb(Abramov) 0.4442697E+00 Vb(Abramov) -0.6586105E+00 Hb(Abramov) -0.2143408E+00 Ex_ueg -0.1183110E+00 Ec_ueg -0.1535703E-01 Delta_ex -0.1126234E+00 Delta_ec 0.1987216E-01 Delta_et -0.2750873E+00 Pxc 0.7704031E+01 Qxc -0.5667397E+01 3,-1 62 3 +3 -2.315824 0.004438 -0.000846 Rho 0.4730968E-02 |GRAD(Rho)| 0.3113277E-17 GRAD(Rho)x 0.1219120E-17 GRAD(Rho)y 0.3463121E-19 GRAD(Rho)z 0.2864444E-17 Laplacian 0.1939111E-01 (-1/4)Del**2(Rho)) -0.4847779E-02 Diamond 0.1787347E-03 Metallicity 0.4737986E+00 Ellipticity -0.2648082E+00 Gb(Abramov) 0.3614664E-02 Vb(Abramov) -0.2381550E-02 Hb(Abramov) 0.1233114E-02 Ex_ueg -0.5865680E-03 Ec_ueg -0.1353537E-03 Delta_ex -0.7129355E-03 Delta_ec 0.1803600E-03 Delta_et -0.1138307E-02 Pxc 0.4333595E+01 Qxc -0.3952848E+01 3,+3 63 3 -1 -2.795381 -0.566875 1.783513 Rho 0.1444151E+00 |GRAD(Rho)| 0.1272035E-12 GRAD(Rho)x 0.1714326E-13 GRAD(Rho)y 0.8259069E-13 GRAD(Rho)z 0.9521350E-13 Laplacian 0.6087401E+00 (-1/4)Del**2(Rho)) -0.1521850E+00 Diamond 0.1176737E+01 Metallicity 0.4499893E+01 Ellipticity 0.9843842E-02 Gb(Abramov) 0.2155927E+00 Vb(Abramov) -0.2790004E+00 Hb(Abramov) -0.6340771E-01 Ex_ueg -0.5595881E-01 Ec_ueg -0.8086963E-02 Delta_ex -0.6474751E-01 Delta_ec 0.1555479E-01 Delta_et -0.2058715E+00 Pxc 0.6919632E+01 Qxc -0.4162544E+01 3,-1 64 3 +1 -1.233985 -2.168788 -1.228154 Rho 0.2931831E-01 |GRAD(Rho)| 0.1546657E-15 GRAD(Rho)x 0.6837146E-16 GRAD(Rho)y -0.6108992E-16 GRAD(Rho)z -0.1245586E-15 Laplacian 0.1205249E+00 (-1/4)Del**2(Rho)) -0.3013122E-01 Diamond 0.2141892E-01 Metallicity 0.1593804E+01 Ellipticity -0.9562082E+01 Gb(Abramov) 0.2809135E-01 Vb(Abramov) -0.2605148E-01 Hb(Abramov) 0.2039866E-02 Ex_ueg -0.6676830E-02 Ec_ueg -0.1308499E-02 Delta_ex -0.7980496E-02 Delta_ec 0.2325369E-02 Delta_et -0.2130043E-01 Pxc 0.5102665E+01 Qxc -0.3431926E+01 3,+1 65 3 +1 -1.664341 -0.531230 0.527471 Rho 0.8801757E-02 |GRAD(Rho)| 0.1246151E-11 GRAD(Rho)x -0.4088049E-12 GRAD(Rho)y 0.1087651E-11 GRAD(Rho)z -0.4503169E-12 Laplacian 0.3448489E-01 (-1/4)Del**2(Rho)) -0.8621222E-02 Diamond 0.9422899E-03 Metallicity 0.7497790E+00 Ellipticity -0.1438067E+01 Gb(Abramov) 0.6824816E-02 Vb(Abramov) -0.5028411E-02 Hb(Abramov) 0.1796405E-02 Ex_ueg -0.1342180E-02 Ec_ueg -0.3140163E-03 Delta_ex -0.1580230E-02 Delta_ec 0.4772974E-03 Delta_et -0.3288223E-02 Pxc 0.4274238E+01 Qxc -0.3310787E+01 3,+1 66 3 -1 -3.163456 -3.233225 0.077354 Rho 0.2525626E+00 |GRAD(Rho)| 0.1393676E-13 GRAD(Rho)x -0.1201795E-13 GRAD(Rho)y -0.7851792E-15 GRAD(Rho)z -0.7013243E-14 Laplacian 0.9174872E+00 (-1/4)Del**2(Rho)) -0.2293718E+00 Diamond 0.3437209E+01 Metallicity 0.7579285E+01 Ellipticity 0.2672794E-02 Gb(Abramov) 0.4426602E+00 Vb(Abramov) -0.6559487E+00 Hb(Abramov) -0.2132885E+00 Ex_ueg -0.1179081E+00 Ec_ueg -0.1531185E-01 Delta_ex -0.1122766E+00 Delta_ec 0.1984239E-01 Delta_et -0.2746771E+00 Pxc 0.7700451E+01 Qxc -0.5658422E+01 3,-1 67 3 -1 -1.710736 -1.742061 -0.524838 Rho 0.4719698E-01 |GRAD(Rho)| 0.4830795E-12 GRAD(Rho)x -0.2686725E-12 GRAD(Rho)y -0.3675731E-12 GRAD(Rho)z 0.1614650E-12 Laplacian 0.1923207E+00 (-1/4)Del**2(Rho)) -0.4808017E-01 Diamond 0.8922177E-01 Metallicity 0.2208568E+01 Ellipticity 0.1133024E-01 Gb(Abramov) 0.4975150E-01 Vb(Abramov) -0.5142283E-01 Hb(Abramov) -0.1671333E-02 Ex_ueg -0.1259710E-01 Ec_ueg -0.2260529E-02 Delta_ex -0.1555991E-01 Delta_ec 0.5656678E-02 Delta_et -0.5873471E-01 Pxc 0.5572634E+01 Qxc -0.2750715E+01 3,-1 68 3 -1 -2.891076 0.000987 -0.012604 Rho 0.5431230E-02 |GRAD(Rho)| 0.1652376E-16 GRAD(Rho)x 0.7445955E-19 GRAD(Rho)y -0.1278973E-16 GRAD(Rho)z 0.1046193E-16 Laplacian 0.2181680E-01 (-1/4)Del**2(Rho)) -0.5454201E-02 Diamond 0.6486686E-03 Metallicity 0.5300526E+00 Ellipticity 0.3534995E+01 Gb(Abramov) 0.4117970E-02 Vb(Abramov) -0.2781738E-02 Hb(Abramov) 0.1336231E-02 Ex_ueg -0.7050977E-03 Ec_ueg -0.1655173E-03 Delta_ex -0.1168828E-02 Delta_ec 0.8058262E-03 Delta_et -0.4438741E-02 Pxc 0.4259963E+01 Qxc -0.1450472E+01 3,-1 69 3 -1 -2.783462 0.560079 -1.796189 Rho 0.1433846E+00 |GRAD(Rho)| 0.1164296E-15 GRAD(Rho)x -0.4999188E-16 GRAD(Rho)y 0.8336159E-16 GRAD(Rho)z -0.6408990E-16 Laplacian 0.6055187E+00 (-1/4)Del**2(Rho)) -0.1513797E+00 Diamond 0.1161175E+01 Metallicity 0.4470158E+01 Ellipticity 0.1040409E-01 Gb(Abramov) 0.2137016E+00 Vb(Abramov) -0.2760236E+00 Hb(Abramov) -0.6232196E-01 Ex_ueg -0.5542702E-01 Ec_ueg -0.8021384E-02 Delta_ex -0.6429947E-01 Delta_ec 0.1551277E-01 Delta_et -0.2051296E+00 Pxc 0.6909908E+01 Qxc -0.4144937E+01 3,-1 70 3 +1 -1.725945 1.752535 -1.758869 Rho 0.1225895E-01 |GRAD(Rho)| 0.1949376E-16 GRAD(Rho)x 0.1336516E-16 GRAD(Rho)y -0.5356716E-17 GRAD(Rho)z -0.1314096E-16 Laplacian 0.6193810E-01 (-1/4)Del**2(Rho)) -0.1548452E-01 Diamond 0.2547990E-02 Metallicity 0.7251210E+00 Ellipticity -0.1243073E+01 Gb(Abramov) 0.1219438E-01 Vb(Abramov) -0.8904226E-02 Hb(Abramov) 0.3290149E-02 Ex_ueg -0.2087641E-02 Ec_ueg -0.4715360E-03 Delta_ex -0.3059595E-02 Delta_ec 0.8001290E-03 Delta_et -0.6033919E-02 Pxc 0.4427321E+01 Qxc -0.3823877E+01 3,+1 71 3 +1 -2.171945 -1.314642 -1.140833 Rho 0.2897135E-01 |GRAD(Rho)| 0.5435231E-15 GRAD(Rho)x -0.2586697E-15 GRAD(Rho)y -0.4689459E-16 GRAD(Rho)z 0.4757187E-15 Laplacian 0.1175899E+00 (-1/4)Del**2(Rho)) -0.2939748E-01 Diamond 0.1983019E-01 Metallicity 0.1601490E+01 Ellipticity -0.6016092E+01 Gb(Abramov) 0.2744495E-01 Vb(Abramov) -0.2549242E-01 Hb(Abramov) 0.1952531E-02 Ex_ueg -0.6571685E-02 Ec_ueg -0.1290671E-02 Delta_ex -0.7696740E-02 Delta_ec 0.2152772E-02 Delta_et -0.1967311E-01 Pxc 0.5091680E+01 Qxc -0.3575269E+01 3,+1 72 3 -1 -3.001800 0.859558 1.965725 Rho 0.1444502E+00 |GRAD(Rho)| 0.1053100E-12 GRAD(Rho)x 0.3376867E-13 GRAD(Rho)y -0.7750715E-13 GRAD(Rho)z 0.6278952E-13 Laplacian 0.5702100E+00 (-1/4)Del**2(Rho)) -0.1425525E+00 Diamond 0.1107435E+01 Metallicity 0.4805907E+01 Ellipticity 0.3789619E-01 Gb(Abramov) 0.2092173E+00 Vb(Abramov) -0.2758822E+00 Hb(Abramov) -0.6666485E-01 Ex_ueg -0.5597697E-01 Ec_ueg -0.8089200E-02 Delta_ex -0.6070381E-01 Delta_ec 0.1466021E-01 Delta_et -0.1942370E+00 Pxc 0.6919963E+01 Qxc -0.4140719E+01 3,-1 73 3 +1 -1.268135 1.176291 2.170217 Rho 0.2903188E-01 |GRAD(Rho)| 0.5282357E-15 GRAD(Rho)x -0.2089902E-15 GRAD(Rho)y -0.3182481E-15 GRAD(Rho)z 0.3661615E-15 Laplacian 0.1189683E+00 (-1/4)Del**2(Rho)) -0.2974208E-01 Diamond 0.2071411E-01 Metallicity 0.1588451E+01 Ellipticity -0.8284803E+01 Gb(Abramov) 0.2770202E-01 Vb(Abramov) -0.2566197E-01 Hb(Abramov) 0.2040055E-02 Ex_ueg -0.6589998E-02 Ec_ueg -0.1293779E-02 Delta_ex -0.7844125E-02 Delta_ec 0.2272333E-02 Delta_et -0.2076609E-01 Pxc 0.5093603E+01 Qxc -0.3452014E+01 3,+1 74 3 +1 -0.516239 -1.665781 0.539180 Rho 0.8857807E-02 |GRAD(Rho)| 0.1080077E-11 GRAD(Rho)x -0.6365967E-12 GRAD(Rho)y 0.9140388E-13 GRAD(Rho)z -0.8677310E-12 Laplacian 0.3440515E-01 (-1/4)Del**2(Rho)) -0.8601288E-02 Diamond 0.9679497E-03 Metallicity 0.7595097E+00 Ellipticity -0.1474552E+01 Gb(Abramov) 0.6822986E-02 Vb(Abramov) -0.5044683E-02 Hb(Abramov) 0.1778302E-02 Ex_ueg -0.1353589E-02 Ec_ueg -0.3165298E-03 Delta_ex -0.1587644E-02 Delta_ec 0.4914029E-03 Delta_et -0.3378449E-02 Pxc 0.4276338E+01 Qxc -0.3230839E+01 3,+1 75 3 -1 -2.748223 1.821487 -0.564806 Rho 0.1372395E+00 |GRAD(Rho)| 0.4342106E-15 GRAD(Rho)x -0.2314297E-15 GRAD(Rho)y 0.1613157E-15 GRAD(Rho)z -0.3300854E-15 Laplacian 0.5792362E+00 (-1/4)Del**2(Rho)) -0.1448090E+00 Diamond 0.1057089E+01 Metallicity 0.4343997E+01 Ellipticity 0.9436126E-02 Gb(Abramov) 0.2013810E+00 Vb(Abramov) -0.2579530E+00 Hb(Abramov) -0.5657198E-01 Ex_ueg -0.5228262E-01 Ec_ueg -0.7631733E-02 Delta_ex -0.6089195E-01 Delta_ec 0.1506393E-01 Delta_et -0.1980220E+00 Pxc 0.6850687E+01 Qxc -0.4042235E+01 3,-1 76 3 -1 -2.970985 2.003151 0.842383 Rho 0.1383402E+00 |GRAD(Rho)| 0.1203983E-13 GRAD(Rho)x 0.1029410E-13 GRAD(Rho)y -0.6069635E-14 GRAD(Rho)z 0.1465774E-14 Laplacian 0.5455107E+00 (-1/4)Del**2(Rho)) -0.1363777E+00 Diamond 0.1006466E+01 Metallicity 0.4674379E+01 Ellipticity 0.3110978E-01 Gb(Abramov) 0.1971653E+00 Vb(Abramov) -0.2579529E+00 Hb(Abramov) -0.6078760E-01 Ex_ueg -0.5284245E-01 Ec_ueg -0.7701350E-02 Delta_ex -0.5747266E-01 Delta_ec 0.1418569E-01 Delta_et -0.1867602E+00 Pxc 0.6861453E+01 Qxc -0.4051452E+01 3,-1 77 3 +1 -1.250085 -1.201677 -2.174368 Rho 0.2906177E-01 |GRAD(Rho)| 0.7537608E-16 GRAD(Rho)x 0.3359236E-16 GRAD(Rho)y 0.1510663E-16 GRAD(Rho)z 0.6576395E-16 Laplacian 0.1191078E+00 (-1/4)Del**2(Rho)) -0.2977695E-01 Diamond 0.2078334E-01 Metallicity 0.1589314E+01 Ellipticity -0.8462906E+01 Gb(Abramov) 0.2773879E-01 Vb(Abramov) -0.2570063E-01 Hb(Abramov) 0.2038162E-02 Ex_ueg -0.6599046E-02 Ec_ueg -0.1295315E-02 Delta_ex -0.7856847E-02 Delta_ec 0.2277469E-02 Delta_et -0.2081810E-01 Pxc 0.5094551E+01 Qxc -0.3449815E+01 3,+1 78 3 +1 0.187892 -0.213742 2.905013 Rho 0.5257430E-02 |GRAD(Rho)| 0.3477656E-15 GRAD(Rho)x 0.2277361E-15 GRAD(Rho)y -0.2617872E-15 GRAD(Rho)z 0.2333749E-16 Laplacian 0.2188759E-01 (-1/4)Del**2(Rho)) -0.5471898E-02 Diamond 0.4955502E-03 Metallicity 0.5004619E+00 Ellipticity -0.2055248E+01 Gb(Abramov) 0.4104344E-02 Vb(Abramov) -0.2736791E-02 Hb(Abramov) 0.1367553E-02 Ex_ueg -0.6751750E-03 Ec_ueg -0.1580078E-03 Delta_ex -0.1054994E-02 Delta_ec 0.6109027E-03 Delta_et -0.3399568E-02 Pxc 0.4273048E+01 Qxc -0.1726943E+01 3,+1 79 3 -1 -1.971243 -2.999778 -0.861603 Rho 0.1413723E+00 |GRAD(Rho)| 0.3905803E-13 GRAD(Rho)x 0.2517702E-13 GRAD(Rho)y -0.1420481E-14 GRAD(Rho)z -0.2982666E-13 Laplacian 0.5562332E+00 (-1/4)Del**2(Rho)) -0.1390583E+00 Diamond 0.1053343E+01 Metallicity 0.4752950E+01 Ellipticity 0.3691219E-01 Gb(Abramov) 0.2028617E+00 Vb(Abramov) -0.2666652E+00 Hb(Abramov) -0.6380343E-01 Ex_ueg -0.5439229E-01 Ec_ueg -0.7893523E-02 Delta_ex -0.5891239E-01 Delta_ec 0.1438879E-01 Delta_et -0.1900595E+00 Pxc 0.6890750E+01 Qxc -0.4094325E+01 3,-1 80 3 +1 -0.168484 -0.141344 -2.904146 Rho 0.5430516E-02 |GRAD(Rho)| 0.1739435E-12 GRAD(Rho)x -0.1216799E-12 GRAD(Rho)y 0.1084991E-12 GRAD(Rho)z -0.6064895E-13 Laplacian 0.2229869E-01 (-1/4)Del**2(Rho)) -0.5574673E-02 Diamond 0.5670716E-03 Metallicity 0.5184843E+00 Ellipticity -0.3061126E+01 Gb(Abramov) 0.4198178E-02 Vb(Abramov) -0.2821684E-02 Hb(Abramov) 0.1376494E-02 Ex_ueg -0.7049741E-03 Ec_ueg -0.1654864E-03 Delta_ex -0.1114930E-02 Delta_ec 0.6813525E-03 Delta_et -0.3801500E-02 Pxc 0.4260011E+01 Qxc -0.1636348E+01 3,+1 81 3 -1 -1.836859 0.548582 -2.778218 Rho 0.1273473E+00 |GRAD(Rho)| 0.3134595E-12 GRAD(Rho)x -0.2150297E-12 GRAD(Rho)y -0.2144670E-12 GRAD(Rho)z 0.7760802E-13 Laplacian 0.5332945E+00 (-1/4)Del**2(Rho)) -0.1333236E+00 Diamond 0.8920007E+00 Metallicity 0.4165134E+01 Ellipticity 0.1485854E-01 Gb(Abramov) 0.1814342E+00 Vb(Abramov) -0.2295448E+00 Hb(Abramov) -0.4811060E-01 Ex_ueg -0.4731928E-01 Ec_ueg -0.7009604E-02 Delta_ex -0.5508859E-01 Delta_ec 0.1417348E-01 Delta_et -0.1841917E+00 Pxc 0.6750636E+01 Qxc -0.3886737E+01 3,-1 82 3 +1 1.659178 -0.531273 -0.536412 Rho 0.9375647E-02 |GRAD(Rho)| 0.9987295E-13 GRAD(Rho)x -0.7248076E-13 GRAD(Rho)y 0.6334482E-13 GRAD(Rho)z 0.2661916E-13 Laplacian 0.3620673E-01 (-1/4)Del**2(Rho)) -0.9051681E-02 Diamond 0.1071741E-02 Metallicity 0.7934009E+00 Ellipticity -0.1474770E+01 Gb(Abramov) 0.7231389E-02 Vb(Abramov) -0.5411098E-02 Hb(Abramov) 0.1820292E-02 Ex_ueg -0.1460114E-02 Ec_ueg -0.3398169E-03 Delta_ex -0.1683420E-02 Delta_ec 0.4963732E-03 Delta_et -0.3478992E-02 Pxc 0.4296766E+01 Qxc -0.3391440E+01 3,+1 83 3 -1 -1.738052 0.527834 1.716123 Rho 0.4657830E-01 |GRAD(Rho)| 0.1149877E-13 GRAD(Rho)x -0.3289779E-14 GRAD(Rho)y 0.1764603E-14 GRAD(Rho)z 0.1087590E-13 Laplacian 0.1901150E+00 (-1/4)Del**2(Rho)) -0.4752874E-01 Diamond 0.8651989E-01 Metallicity 0.2185594E+01 Ellipticity 0.1235538E-01 Gb(Abramov) 0.4899892E-01 Vb(Abramov) -0.5046910E-01 Hb(Abramov) -0.1470178E-02 Ex_ueg -0.1237741E-01 Ec_ueg -0.2226626E-02 Delta_ex -0.1532531E-01 Delta_ec 0.5583021E-02 Delta_et -0.5776715E-01 Pxc 0.5558819E+01 Qxc -0.2744986E+01 3,-1 84 3 +1 -0.539232 0.531409 -1.683310 Rho 0.8510027E-02 |GRAD(Rho)| 0.3664710E-14 GRAD(Rho)x 0.2052194E-15 GRAD(Rho)y -0.2900702E-14 GRAD(Rho)z 0.2230227E-14 Laplacian 0.3308140E-01 (-1/4)Del**2(Rho)) -0.8270351E-02 Diamond 0.8793116E-03 Metallicity 0.7388917E+00 Ellipticity -0.1453787E+01 Gb(Abramov) 0.6532050E-02 Vb(Abramov) -0.4793748E-02 Hb(Abramov) 0.1738301E-02 Ex_ueg -0.1283196E-02 Ec_ueg -0.3009563E-03 Delta_ex -0.1510291E-02 Delta_ec 0.4709007E-03 Delta_et -0.3205497E-02 Pxc 0.4263729E+01 Qxc -0.3207239E+01 3,+1 85 3 +1 -2.163256 1.244914 1.199546 Rho 0.2902894E-01 |GRAD(Rho)| 0.9590268E-16 GRAD(Rho)x -0.8755651E-16 GRAD(Rho)y 0.1329850E-16 GRAD(Rho)z 0.3680123E-16 Laplacian 0.1193128E+00 (-1/4)Del**2(Rho)) -0.2982820E-01 Diamond 0.2094927E-01 Metallicity 0.1583597E+01 Ellipticity -0.9325609E+01 Gb(Abramov) 0.2775811E-01 Vb(Abramov) -0.2568802E-01 Hb(Abramov) 0.2070090E-02 Ex_ueg -0.6589108E-02 Ec_ueg -0.1293628E-02 Delta_ex -0.7882473E-02 Delta_ec 0.2307205E-02 Delta_et -0.2108130E-01 Pxc 0.5093509E+01 Qxc -0.3416460E+01 3,+1 86 3 -1 -0.863050 1.960445 3.005572 Rho 0.1446334E+00 |GRAD(Rho)| 0.2386430E-15 GRAD(Rho)x -0.1761422E-15 GRAD(Rho)y -0.1450120E-17 GRAD(Rho)z 0.1610040E-15 Laplacian 0.5706370E+00 (-1/4)Del**2(Rho)) -0.1426592E+00 Diamond 0.1110127E+01 Metallicity 0.4812465E+01 Ellipticity 0.3878802E-01 Gb(Abramov) 0.2095299E+00 Vb(Abramov) -0.2764006E+00 Hb(Abramov) -0.6687070E-01 Ex_ueg -0.5607163E-01 Ec_ueg -0.8100865E-02 Delta_ex -0.6076991E-01 Delta_ec 0.1466988E-01 Delta_et -0.1944083E+00 Pxc 0.6921685E+01 Qxc -0.4142495E+01 3,-1 87 3 +3 -1.087846 1.103322 -1.131336 Rho 0.5171669E-02 |GRAD(Rho)| 0.5252375E-17 GRAD(Rho)x -0.3334994E-18 GRAD(Rho)y -0.2281589E-17 GRAD(Rho)z -0.4719171E-17 Laplacian 0.2013761E-01 (-1/4)Del**2(Rho)) -0.5034401E-02 Diamond 0.1473051E-03 Metallicity 0.5292448E+00 Ellipticity -0.5193493E-01 Gb(Abramov) 0.3800339E-02 Vb(Abramov) -0.2566277E-02 Hb(Abramov) 0.1234062E-02 Ex_ueg -0.6605303E-03 Ec_ueg -0.1543079E-03 Delta_ex -0.7023160E-03 Delta_ec 0.8873846E-04 Delta_et -0.7064781E-03 Pxc 0.4280599E+01 Qxc -0.7914449E+01 3,+3 88 3 +3 0.015907 -0.042652 2.322937 Rho 0.4639228E-02 |GRAD(Rho)| 0.7394556E-16 GRAD(Rho)x -0.3683320E-16 GRAD(Rho)y 0.3590876E-16 GRAD(Rho)z -0.5312083E-16 Laplacian 0.1891778E-01 (-1/4)Del**2(Rho)) -0.4729444E-02 Diamond 0.1714645E-03 Metallicity 0.4700592E+00 Ellipticity -0.3645329E+00 Gb(Abramov) 0.3523482E-02 Vb(Abramov) -0.2317521E-02 Hb(Abramov) 0.1205962E-02 Ex_ueg -0.5714514E-03 Ec_ueg -0.1314205E-03 Delta_ex -0.6937694E-03 Delta_ec 0.1790124E-03 Delta_et -0.1120293E-02 Pxc 0.4348267E+01 Qxc -0.3875539E+01 3,+3 89 3 +1 -1.748160 -1.746258 1.742180 Rho 0.1222379E-01 |GRAD(Rho)| 0.1675921E-16 GRAD(Rho)x 0.5409297E-17 GRAD(Rho)y 0.8198884E-17 GRAD(Rho)z 0.1357899E-16 Laplacian 0.6164675E-01 (-1/4)Del**2(Rho)) -0.1541169E-01 Diamond 0.2531510E-02 Metallicity 0.7250690E+00 Ellipticity -0.1254435E+01 Gb(Abramov) 0.1213688E-01 Vb(Abramov) -0.8862074E-02 Hb(Abramov) 0.3274806E-02 Ex_ueg -0.2079662E-02 Ec_ueg -0.4699097E-03 Delta_ex -0.3044436E-02 Delta_ec 0.7991230E-03 Delta_et -0.6020007E-02 Pxc 0.4425664E+01 Qxc -0.3809722E+01 3,+1 90 3 +3 -1.097827 -1.107297 1.118063 Rho 0.5173497E-02 |GRAD(Rho)| 0.1024972E-13 GRAD(Rho)x -0.9096362E-14 GRAD(Rho)y 0.1799468E-14 GRAD(Rho)z -0.4367469E-14 Laplacian 0.2011265E-01 (-1/4)Del**2(Rho)) -0.5028163E-02 Diamond 0.1471377E-03 Metallicity 0.5302136E+00 Ellipticity -0.1200986E+00 Gb(Abramov) 0.3796442E-02 Vb(Abramov) -0.2564721E-02 Hb(Abramov) 0.1231721E-02 Ex_ueg -0.6608416E-03 Ec_ueg -0.1543867E-03 Delta_ex -0.7014649E-03 Delta_ec 0.8853965E-04 Delta_et -0.7051932E-03 Pxc 0.4280430E+01 Qxc -0.7922607E+01 3,+3 91 3 -1 -1.958419 2.996364 0.859119 Rho 0.1449592E+00 |GRAD(Rho)| 0.5041737E-15 GRAD(Rho)x 0.3130363E-15 GRAD(Rho)y 0.1009392E-15 GRAD(Rho)z 0.3821135E-15 Laplacian 0.5711202E+00 (-1/4)Del**2(Rho)) -0.1427801E+00 Diamond 0.1114118E+01 Metallicity 0.4826461E+01 Ellipticity 0.3920773E-01 Gb(Abramov) 0.2100404E+00 Vb(Abramov) -0.2773008E+00 Hb(Abramov) -0.6726039E-01 Ex_ueg -0.5624013E-01 Ec_ueg -0.8121618E-02 Delta_ex -0.6085529E-01 Delta_ec 0.1467500E-01 Delta_et -0.1945419E+00 Pxc 0.6924744E+01 Qxc -0.4146867E+01 3,-1 92 3 -1 -1.748690 -0.544556 -1.717999 Rho 0.4686544E-01 |GRAD(Rho)| 0.2724222E-12 GRAD(Rho)x 0.2470022E-12 GRAD(Rho)y 0.1149074E-12 GRAD(Rho)z -0.2097071E-15 Laplacian 0.1918225E+00 (-1/4)Del**2(Rho)) -0.4795562E-01 Diamond 0.8800528E-01 Metallicity 0.2188440E+01 Ellipticity 0.1319411E-01 Gb(Abramov) 0.4946175E-01 Vb(Abramov) -0.5096788E-01 Hb(Abramov) -0.1506130E-02 Ex_ueg -0.1247925E-01 Ec_ueg -0.2242353E-02 Delta_ex -0.1548572E-01 Delta_ec 0.5630874E-02 Delta_et -0.5835596E-01 Pxc 0.5565248E+01 Qxc -0.2750145E+01 3,-1 93 3 +1 -0.521874 -0.554729 1.666984 Rho 0.8570974E-02 |GRAD(Rho)| 0.1612923E-16 GRAD(Rho)x 0.8189541E-17 GRAD(Rho)y -0.7131136E-17 GRAD(Rho)z -0.1192604E-16 Laplacian 0.3326508E-01 (-1/4)Del**2(Rho)) -0.8316269E-02 Diamond 0.8967578E-03 Metallicity 0.7436039E+00 Ellipticity -0.1463719E+01 Gb(Abramov) 0.6574848E-02 Vb(Abramov) -0.4833426E-02 Hb(Abramov) 0.1741421E-02 Ex_ueg -0.1295464E-02 Ec_ueg -0.3036816E-03 Delta_ex -0.1523192E-02 Delta_ec 0.4766870E-03 Delta_et -0.3248315E-02 Pxc 0.4265862E+01 Qxc -0.3195371E+01 3,+1 94 3 +1 -0.521858 1.661739 -0.534304 Rho 0.8822530E-02 |GRAD(Rho)| 0.7909694E-17 GRAD(Rho)x -0.6477056E-17 GRAD(Rho)y 0.1850919E-17 GRAD(Rho)z 0.4145492E-17 Laplacian 0.3427223E-01 (-1/4)Del**2(Rho)) -0.8568057E-02 Diamond 0.9508157E-03 Metallicity 0.7574014E+00 Ellipticity -0.1462677E+01 Gb(Abramov) 0.6793614E-02 Vb(Abramov) -0.5019172E-02 Hb(Abramov) 0.1774443E-02 Ex_ueg -0.1346406E-02 Ec_ueg -0.3149477E-03 Delta_ex -0.1576358E-02 Delta_ec 0.4831568E-03 Delta_et -0.3323383E-02 Pxc 0.4275014E+01 Qxc -0.3262622E+01 3,+1 95 3 -1 -1.834525 -0.563880 2.764992 Rho 0.1394775E+00 |GRAD(Rho)| 0.2463044E-15 GRAD(Rho)x 0.1798014E-15 GRAD(Rho)y -0.1605568E-15 GRAD(Rho)z 0.5058481E-16 Laplacian 0.5856264E+00 (-1/4)Del**2(Rho)) -0.1464066E+00 Diamond 0.1088718E+01 Metallicity 0.4414002E+01 Ellipticity 0.9257285E-02 Gb(Abramov) 0.2053109E+00 Vb(Abramov) -0.2642152E+00 Hb(Abramov) -0.5890431E-01 Ex_ueg -0.5342244E-01 Ec_ueg -0.7773360E-02 Delta_ex -0.6179518E-01 Delta_ec 0.1515083E-01 Delta_et -0.1996179E+00 Pxc 0.6872503E+01 Qxc -0.4078666E+01 3,-1 96 3 +1 -1.188461 2.161638 1.255055 Rho 0.2920340E-01 |GRAD(Rho)| 0.1175962E-14 GRAD(Rho)x -0.1121079E-14 GRAD(Rho)y -0.3547275E-15 GRAD(Rho)z -0.1537489E-16 Laplacian 0.1201236E+00 (-1/4)Del**2(Rho)) -0.3003089E-01 Diamond 0.2123929E-01 Metallicity 0.1588695E+01 Ellipticity -0.9286404E+01 Gb(Abramov) 0.2797225E-01 Vb(Abramov) -0.2591361E-01 Hb(Abramov) 0.2058641E-02 Ex_ueg -0.6641960E-02 Ec_ueg -0.1302591E-02 Delta_ex -0.7946252E-02 Delta_ec 0.2318667E-02 Delta_et -0.2121815E-01 Pxc 0.5099037E+01 Qxc -0.3427077E+01 3,+1 97 3 +1 0.531828 -1.660109 -0.544819 Rho 0.9083471E-02 |GRAD(Rho)| 0.1285945E-16 GRAD(Rho)x -0.6086739E-17 GRAD(Rho)y 0.7240954E-17 GRAD(Rho)z -0.8711231E-17 Laplacian 0.3520935E-01 (-1/4)Del**2(Rho)) -0.8802337E-02 Diamond 0.1005025E-02 Metallicity 0.7739417E+00 Ellipticity -0.1464250E+01 Gb(Abramov) 0.7003641E-02 Vb(Abramov) -0.5204944E-02 Hb(Abramov) 0.1798696E-02 Ex_ueg -0.1399762E-02 Ec_ueg -0.3266635E-03 Delta_ex -0.1626721E-02 Delta_ec 0.4878452E-03 Delta_et -0.3387611E-02 Pxc 0.4285027E+01 Qxc -0.3334502E+01 3,+1 98 3 +1 -0.136230 -2.885169 -0.141636 Rho 0.5471366E-02 |GRAD(Rho)| 0.1358744E-13 GRAD(Rho)x 0.1284833E-13 GRAD(Rho)y 0.4163303E-14 GRAD(Rho)z 0.1485214E-14 Laplacian 0.2229973E-01 (-1/4)Del**2(Rho)) -0.5574933E-02 Diamond 0.6000425E-03 Metallicity 0.5249764E+00 Ellipticity -0.5337435E+01 Gb(Abramov) 0.4204407E-02 Vb(Abramov) -0.2833880E-02 Hb(Abramov) 0.1370526E-02 Ex_ueg -0.7120536E-03 Ec_ueg -0.1672536E-03 Delta_ex -0.1139030E-02 Delta_ec 0.7213712E-03 Delta_et -0.4017324E-02 Pxc 0.4257328E+01 Qxc -0.1578979E+01 3,+1 99 3 -1 -1.782879 -2.788122 0.574606 Rho 0.1596107E+00 |GRAD(Rho)| 0.4238342E-13 GRAD(Rho)x -0.3183640E-13 GRAD(Rho)y 0.5265977E-14 GRAD(Rho)z -0.2747848E-13 Laplacian 0.6690971E+00 (-1/4)Del**2(Rho)) -0.1672743E+00 Diamond 0.1450039E+01 Metallicity 0.4836827E+01 Ellipticity 0.1804679E-01 Gb(Abramov) 0.2463623E+00 Vb(Abramov) -0.3254504E+00 Hb(Abramov) -0.7908804E-01 Ex_ueg -0.6394417E-01 Ec_ueg -0.9061547E-02 Delta_ex -0.7286480E-01 Delta_ec 0.1653602E-01 Delta_et -0.2215124E+00 Pxc 0.7056651E+01 Qxc -0.4406430E+01 3,-1 100 3 -1 -1.706033 1.733608 0.532681 Rho 0.4690172E-01 |GRAD(Rho)| 0.4080645E-16 GRAD(Rho)x 0.3819992E-16 GRAD(Rho)y -0.1299306E-16 GRAD(Rho)z 0.6092073E-17 Laplacian 0.1912804E+00 (-1/4)Del**2(Rho)) -0.4782009E-01 Diamond 0.8784067E-01 Metallicity 0.2197476E+01 Ellipticity 0.1217261E-01 Gb(Abramov) 0.4939397E-01 Vb(Abramov) -0.5096786E-01 Hb(Abramov) -0.1573884E-02 Ex_ueg -0.1249214E-01 Ec_ueg -0.2244342E-02 Delta_ex -0.1544457E-01 Delta_ec 0.5614234E-02 Delta_et -0.5819517E-01 Pxc 0.5566058E+01 Qxc -0.2750966E+01 3,-1 101 3 +3 0.025590 2.322674 -0.005842 Rho 0.4645441E-02 |GRAD(Rho)| 0.3775076E-17 GRAD(Rho)x 0.2083615E-17 GRAD(Rho)y -0.1666933E-18 GRAD(Rho)z -0.3143559E-17 Laplacian 0.1893259E-01 (-1/4)Del**2(Rho)) -0.4733148E-02 Diamond 0.1741075E-03 Metallicity 0.4707402E+00 Ellipticity -0.3354225E+00 Gb(Abramov) 0.3526779E-02 Vb(Abramov) -0.2320410E-02 Hb(Abramov) 0.1206369E-02 Ex_ueg -0.5724720E-03 Ec_ueg -0.1316867E-03 Delta_ex -0.6967997E-03 Delta_ec 0.1831698E-03 Delta_et -0.1141236E-02 Pxc 0.4347227E+01 Qxc -0.3804119E+01 3,+3 102 3 -1 -0.861611 -1.964072 -3.005459 Rho 0.1419856E+00 |GRAD(Rho)| 0.4203647E-15 GRAD(Rho)x -0.3954221E-15 GRAD(Rho)y 0.6654291E-16 GRAD(Rho)z -0.1261740E-15 Laplacian 0.5601519E+00 (-1/4)Del**2(Rho)) -0.1400380E+00 Diamond 0.1065959E+01 Metallicity 0.4753874E+01 Ellipticity 0.3691006E-01 Gb(Abramov) 0.2043125E+00 Vb(Abramov) -0.2685870E+00 Hb(Abramov) -0.6427450E-01 Ex_ueg -0.5470714E-01 Ec_ueg -0.7932466E-02 Delta_ex -0.5938646E-01 Delta_ec 0.1446846E-01 Delta_et -0.1912222E+00 Pxc 0.6896612E+01 Qxc -0.4104547E+01 3,-1 103 3 +1 0.546032 0.514290 1.664041 Rho 0.8877646E-02 |GRAD(Rho)| 0.9384397E-17 GRAD(Rho)x -0.8072995E-17 GRAD(Rho)y 0.2296286E-18 GRAD(Rho)z -0.4779218E-17 Laplacian 0.3443126E-01 (-1/4)Del**2(Rho)) -0.8607815E-02 Diamond 0.9633681E-03 Metallicity 0.7617690E+00 Ellipticity -0.1467020E+01 Gb(Abramov) 0.6831404E-02 Vb(Abramov) -0.5054994E-02 Hb(Abramov) 0.1776410E-02 Ex_ueg -0.1357632E-02 Ec_ueg -0.3174198E-03 Delta_ex -0.1586175E-02 Delta_ec 0.4853950E-03 Delta_et -0.3344124E-02 Pxc 0.4277087E+01 Qxc -0.3267802E+01 3,+1 104 3 -1 -0.585628 1.792173 -2.811944 Rho 0.1448632E+00 |GRAD(Rho)| 0.3514776E-15 GRAD(Rho)x 0.2638677E-15 GRAD(Rho)y 0.2313823E-15 GRAD(Rho)z -0.1930219E-16 Laplacian 0.6115619E+00 (-1/4)Del**2(Rho)) -0.1528905E+00 Diamond 0.1167584E+01 Metallicity 0.4502318E+01 Ellipticity 0.2409410E-01 Gb(Abramov) 0.2166539E+00 Vb(Abramov) -0.2804174E+00 Hb(Abramov) -0.6376344E-01 Ex_ueg -0.5619045E-01 Ec_ueg -0.8115500E-02 Delta_ex -0.6489856E-01 Delta_ec 0.1526070E-01 Delta_et -0.2012914E+00 Pxc 0.6923843E+01 Qxc -0.4252658E+01 3,-1 105 3 -1 -0.527543 1.704078 1.743020 Rho 0.4739572E-01 |GRAD(Rho)| 0.3953123E-16 GRAD(Rho)x 0.1556402E-16 GRAD(Rho)y 0.2990238E-16 GRAD(Rho)z 0.2064770E-16 Laplacian 0.1937237E+00 (-1/4)Del**2(Rho)) -0.4843093E-01 Diamond 0.9036623E-01 Metallicity 0.2207982E+01 Ellipticity 0.1175810E-01 Gb(Abramov) 0.5010972E-01 Vb(Abramov) -0.5178852E-01 Hb(Abramov) -0.1678793E-02 Ex_ueg -0.1266788E-01 Ec_ueg -0.2271432E-02 Delta_ex -0.1568900E-01 Delta_ec 0.5695998E-02 Delta_et -0.5920780E-01 Pxc 0.5577043E+01 Qxc -0.2754391E+01 3,-1 106 3 -1 -0.856757 -2.975739 -2.012444 Rho 0.1414038E+00 |GRAD(Rho)| 0.1966023E-15 GRAD(Rho)x -0.1440634E-16 GRAD(Rho)y -0.1807501E-15 GRAD(Rho)z 0.7598902E-16 Laplacian 0.5567023E+00 (-1/4)Del**2(Rho)) -0.1391756E+00 Diamond 0.1054625E+01 Metallicity 0.4750710E+01 Ellipticity 0.3475637E-01 Gb(Abramov) 0.2029809E+00 Vb(Abramov) -0.2667862E+00 Hb(Abramov) -0.6380529E-01 Ex_ueg -0.5440846E-01 Ec_ueg -0.7895524E-02 Delta_ex -0.5896647E-01 Delta_ec 0.1440227E-01 Delta_et -0.1902485E+00 Pxc 0.6891052E+01 Qxc -0.4094247E+01 3,-1 107 3 -1 -0.063269 -2.890593 -0.066993 Rho 0.5474899E-02 |GRAD(Rho)| 0.5777963E-12 GRAD(Rho)x -0.5725918E-12 GRAD(Rho)y -0.6065236E-13 GRAD(Rho)z 0.4804653E-13 Laplacian 0.2198742E-01 (-1/4)Del**2(Rho)) -0.5496854E-02 Diamond 0.6481443E-03 Metallicity 0.5330065E+00 Ellipticity 0.4974790E+01 Gb(Abramov) 0.4152879E-02 Vb(Abramov) -0.2808904E-02 Hb(Abramov) 0.1343975E-02 Ex_ueg -0.7126669E-03 Ec_ueg -0.1674066E-03 Delta_ex -0.1169285E-02 Delta_ec 0.7935175E-03 Delta_et -0.4387954E-02 Pxc 0.4257103E+01 Qxc -0.1473547E+01 3,-1 108 3 -1 -0.543610 -2.756643 1.841899 Rho 0.1120933E+00 |GRAD(Rho)| 0.4622248E-13 GRAD(Rho)x -0.4475148E-13 GRAD(Rho)y 0.1148809E-13 GRAD(Rho)z 0.1358790E-14 Laplacian 0.4682872E+00 (-1/4)Del**2(Rho)) -0.1170718E+00 Diamond 0.6626107E+00 Metallicity 0.3834721E+01 Ellipticity 0.6497201E-02 Gb(Abramov) 0.1528708E+00 Vb(Abramov) -0.1886698E+00 Hb(Abramov) -0.3579901E-01 Ex_ueg -0.3991701E-01 Ec_ueg -0.6063272E-02 Delta_ex -0.4679089E-01 Delta_ec 0.1257806E-01 Delta_et -0.1594727E+00 Pxc 0.6583411E+01 Qxc -0.3720039E+01 3,-1 109 3 +1 0.180643 -2.893507 0.184674 Rho 0.5381840E-02 |GRAD(Rho)| 0.6778024E-11 GRAD(Rho)x -0.6584257E-11 GRAD(Rho)y -0.5140998E-12 GRAD(Rho)z 0.1524751E-11 Laplacian 0.2226706E-01 (-1/4)Del**2(Rho)) -0.5566765E-02 Diamond 0.5206857E-03 Metallicity 0.5114875E+00 Ellipticity -0.2160054E+01 Gb(Abramov) 0.4185732E-02 Vb(Abramov) -0.2804698E-02 Hb(Abramov) 0.1381033E-02 Ex_ueg -0.6965615E-03 Ec_ueg -0.1633818E-03 Delta_ex -0.1078742E-02 Delta_ec 0.6221268E-03 Delta_et -0.3485792E-02 Pxc 0.4263398E+01 Qxc -0.1733959E+01 3,+1 110 3 +3 0.008826 -2.322640 0.009093 Rho 0.4772338E-02 |GRAD(Rho)| 0.2417847E-13 GRAD(Rho)x -0.1926891E-13 GRAD(Rho)y 0.1267571E-13 GRAD(Rho)z 0.7254907E-14 Laplacian 0.1943717E-01 (-1/4)Del**2(Rho)) -0.4859293E-02 Diamond 0.1823718E-03 Metallicity 0.4795848E+00 Ellipticity -0.3294094E+00 Gb(Abramov) 0.3627936E-02 Vb(Abramov) -0.2396579E-02 Hb(Abramov) 0.1231357E-02 Ex_ueg -0.5934171E-03 Ec_ueg -0.1371288E-03 Delta_ex -0.7172927E-03 Delta_ec 0.1826967E-03 Delta_et -0.1152838E-02 Pxc 0.4327444E+01 Qxc -0.3926140E+01 3,+3 111 3 +1 1.408076 -1.067492 2.167062 Rho 0.2677813E-01 |GRAD(Rho)| 0.3185278E-16 GRAD(Rho)x 0.3604106E-17 GRAD(Rho)y 0.1874938E-17 GRAD(Rho)z -0.3159264E-16 Laplacian 0.1071093E+00 (-1/4)Del**2(Rho)) -0.2677731E-01 Diamond 0.1533051E-01 Metallicity 0.1542007E+01 Ellipticity -0.3544764E+01 Gb(Abramov) 0.2473335E-01 Vb(Abramov) -0.2268938E-01 Hb(Abramov) 0.2043969E-02 Ex_ueg -0.5916869E-02 Ec_ueg -0.1178650E-02 Delta_ex -0.6778501E-02 Delta_ec 0.1805471E-02 Delta_et -0.1620800E-01 Pxc 0.5020038E+01 Qxc -0.3754422E+01 3,+1 112 3 -1 -1.774572 2.787021 -0.567448 Rho 0.1459121E+00 |GRAD(Rho)| 0.4796452E-09 GRAD(Rho)x -0.3476954E-09 GRAD(Rho)y -0.9951884E-10 GRAD(Rho)z 0.3150610E-09 Laplacian 0.6114510E+00 (-1/4)Del**2(Rho)) -0.1528627E+00 Diamond 0.1195999E+01 Metallicity 0.4557609E+01 Ellipticity 0.1246036E-01 Gb(Abramov) 0.2180233E+00 Vb(Abramov) -0.2831838E+00 Hb(Abramov) -0.6516052E-01 Ex_ueg -0.5673357E-01 Ec_ueg -0.8182345E-02 Delta_ex -0.6519293E-01 Delta_ec 0.1557129E-01 Delta_et -0.2063673E+00 Pxc 0.6933657E+01 Qxc -0.4186738E+01 3,-1 113 3 -1 -0.557344 2.758086 -1.838789 Rho 0.1269167E+00 |GRAD(Rho)| 0.4831064E-12 GRAD(Rho)x 0.2979766E-12 GRAD(Rho)y -0.1067261E-12 GRAD(Rho)z -0.3649812E-12 Laplacian 0.5310026E+00 (-1/4)Del**2(Rho)) -0.1327507E+00 Diamond 0.8695594E+00 Metallicity 0.4159565E+01 Ellipticity 0.3905950E-02 Gb(Abramov) 0.1805313E+00 Vb(Abramov) -0.2283119E+00 Hb(Abramov) -0.4778062E-01 Ex_ueg -0.4710607E-01 Ec_ueg -0.6982671E-02 Delta_ex -0.5462056E-01 Delta_ec 0.1379053E-01 Delta_et -0.1785188E+00 Pxc 0.6746140E+01 Qxc -0.3960730E+01 3,-1 114 3 -1 -0.839564 2.967704 2.007524 Rho 0.1371827E+00 |GRAD(Rho)| 0.7075357E-16 GRAD(Rho)x -0.6202992E-16 GRAD(Rho)y 0.3138765E-16 GRAD(Rho)z 0.1315950E-16 Laplacian 0.5404253E+00 (-1/4)Del**2(Rho)) -0.1351063E+00 Diamond 0.9869341E+00 Metallicity 0.4652752E+01 Ellipticity 0.3074771E-01 Gb(Abramov) 0.1948402E+00 Vb(Abramov) -0.2545742E+00 Hb(Abramov) -0.5973393E-01 Ex_ueg -0.5225377E-01 Ec_ueg -0.7628143E-02 Delta_ex -0.5681933E-01 Delta_ec 0.1407933E-01 Delta_et -0.1851142E+00 Pxc 0.6850130E+01 Qxc -0.4035656E+01 3,-1 115 3 -1 -0.537330 -1.716102 -1.738029 Rho 0.4765498E-01 |GRAD(Rho)| 0.1857194E-15 GRAD(Rho)x -0.8724842E-16 GRAD(Rho)y 0.1091665E-15 GRAD(Rho)z 0.1223196E-15 Laplacian 0.1946160E+00 (-1/4)Del**2(Rho)) -0.4865401E-01 Diamond 0.9137863E-01 Metallicity 0.2217933E+01 Ellipticity 0.1131469E-01 Gb(Abramov) 0.5042122E-01 Vb(Abramov) -0.5218844E-01 Hb(Abramov) -0.1767216E-02 Ex_ueg -0.1276035E-01 Ec_ueg -0.2285666E-02 Delta_ex -0.1577925E-01 Delta_ec 0.5715460E-02 Delta_et -0.5949351E-01 Pxc 0.5582774E+01 Qxc -0.2760801E+01 3,-1 116 3 +3 -0.023673 0.014096 -2.326251 Rho 0.4735154E-02 |GRAD(Rho)| 0.2632406E-13 GRAD(Rho)x 0.6728038E-14 GRAD(Rho)y -0.2176901E-13 GRAD(Rho)z 0.1318332E-13 Laplacian 0.1935785E-01 (-1/4)Del**2(Rho)) -0.4839462E-02 Diamond 0.1793047E-03 Metallicity 0.4753129E+00 Ellipticity -0.3004094E+00 Gb(Abramov) 0.3609684E-02 Vb(Abramov) -0.2379907E-02 Hb(Abramov) 0.1229778E-02 Ex_ueg -0.5872601E-03 Ec_ueg -0.1355332E-03 Delta_ex -0.7125347E-03 Delta_ec 0.1812311E-03 Delta_et -0.1142422E-02 Pxc 0.4332960E+01 Qxc -0.3931637E+01 3,+3 117 3 +1 0.523380 -0.537371 -1.655763 Rho 0.9298893E-02 |GRAD(Rho)| 0.8456417E-15 GRAD(Rho)x 0.6791927E-15 GRAD(Rho)y -0.1054216E-15 GRAD(Rho)z -0.4926393E-15 Laplacian 0.3607720E-01 (-1/4)Del**2(Rho)) -0.9019301E-02 Diamond 0.1056928E-02 Metallicity 0.7854148E+00 Ellipticity -0.1466284E+01 Gb(Abramov) 0.7193516E-02 Vb(Abramov) -0.5367731E-02 Hb(Abramov) 0.1825785E-02 Ex_ueg -0.1444198E-02 Ec_ueg -0.3363580E-03 Delta_ex -0.1674250E-02 Delta_ec 0.4952759E-03 Delta_et -0.3463513E-02 Pxc 0.4293634E+01 Qxc -0.3380438E+01 3,+1 118 3 +3 1.105744 -1.120896 -1.109245 Rho 0.5484676E-02 |GRAD(Rho)| 0.1005467E-16 GRAD(Rho)x -0.2825892E-17 GRAD(Rho)y 0.8149782E-17 GRAD(Rho)z -0.5166416E-17 Laplacian 0.2128958E-01 (-1/4)Del**2(Rho)) -0.5322396E-02 Diamond 0.1630849E-03 Metallicity 0.5521167E+00 Ellipticity -0.1745280E-01 Gb(Abramov) 0.4038028E-02 Vb(Abramov) -0.2753660E-02 Hb(Abramov) 0.1284368E-02 Ex_ueg -0.7143641E-03 Ec_ueg -0.1678296E-03 Delta_ex -0.7500623E-03 Delta_ec 0.8543387E-04 Delta_et -0.7108630E-03 Pxc 0.4256484E+01 Qxc -0.8779449E+01 3,+3 119 3 -1 -0.458355 0.463661 0.469386 Rho 0.1859836E+00 |GRAD(Rho)| 0.6240897E-14 GRAD(Rho)x -0.4111295E-14 GRAD(Rho)y 0.3868433E-14 GRAD(Rho)z 0.2661066E-14 Laplacian 0.5139315E+00 (-1/4)Del**2(Rho)) -0.1284829E+00 Diamond 0.1377913E+01 Metallicity 0.8125167E+01 Ellipticity 0.2476895E-03 Gb(Abramov) 0.2596461E+00 Vb(Abramov) -0.3908092E+00 Hb(Abramov) -0.1311632E+00 Ex_ueg -0.7840635E-01 Ec_ueg -0.1078555E-01 Delta_ex -0.5845151E-01 Delta_ec 0.1273334E-01 Delta_et -0.1751463E+00 Pxc 0.7269572E+01 Qxc -0.4590432E+01 3,-1 120 3 -1 -0.463593 -0.472921 -0.472664 Rho 0.1853183E+00 |GRAD(Rho)| 0.2793282E-15 GRAD(Rho)x -0.1630640E-15 GRAD(Rho)y -0.1977585E-15 GRAD(Rho)z -0.1110223E-15 Laplacian 0.5110227E+00 (-1/4)Del**2(Rho)) -0.1277557E+00 Diamond 0.1362340E+01 Metallicity 0.8122758E+01 Ellipticity 0.5441145E-03 Gb(Abramov) 0.2581252E+00 Vb(Abramov) -0.3884947E+00 Hb(Abramov) -0.1303695E+00 Ex_ueg -0.7803262E-01 Ec_ueg -0.1074157E-01 Delta_ex -0.5805419E-01 Delta_ec 0.1264780E-01 Delta_et -0.1738257E+00 Pxc 0.7264546E+01 Qxc -0.4590061E+01 3,-1 121 3 -1 0.548420 -1.720770 1.759872 Rho 0.4246141E-01 |GRAD(Rho)| 0.2060934E-15 GRAD(Rho)x -0.2716519E-16 GRAD(Rho)y -0.1812098E-15 GRAD(Rho)z 0.9433745E-16 Laplacian 0.1801599E+00 (-1/4)Del**2(Rho)) -0.4503998E-01 Diamond 0.7479731E-01 Metallicity 0.1976723E+01 Ellipticity 0.1344991E-01 Gb(Abramov) 0.4486524E-01 Vb(Abramov) -0.4469051E-01 Hb(Abramov) 0.1747351E-03 Ex_ueg -0.1094068E-01 Ec_ueg -0.2002615E-02 Delta_ex -0.1432428E-01 Delta_ec 0.5533643E-02 Delta_et -0.5590878E-01 Pxc 0.5463198E+01 Qxc -0.2588579E+01 3,-1 122 3 -1 0.559549 -1.779280 -2.780837 Rho 0.1420665E+00 |GRAD(Rho)| 0.2290278E-12 GRAD(Rho)x 0.1486568E-12 GRAD(Rho)y 0.1700661E-12 GRAD(Rho)z -0.3784723E-13 Laplacian 0.5980353E+00 (-1/4)Del**2(Rho)) -0.1495088E+00 Diamond 0.1133771E+01 Metallicity 0.4456964E+01 Ellipticity 0.8570481E-02 Gb(Abramov) 0.2107318E+00 Vb(Abramov) -0.2719548E+00 Hb(Abramov) -0.6122297E-01 Ex_ueg -0.5474872E-01 Ec_ueg -0.7937606E-02 Delta_ex -0.6335743E-01 Delta_ec 0.1534810E-01 Delta_et -0.2026601E+00 Pxc 0.6897384E+01 Qxc -0.4128032E+01 3,-1 123 3 -1 -0.052502 -3.164787 3.249408 Rho 0.2417747E+00 |GRAD(Rho)| 0.2399622E-13 GRAD(Rho)x 0.1582789E-13 GRAD(Rho)y 0.1803164E-13 GRAD(Rho)z -0.3957338E-15 Laplacian 0.8623403E+00 (-1/4)Del**2(Rho)) -0.2155851E+00 Diamond 0.3092755E+01 Metallicity 0.7498122E+01 Ellipticity 0.1357166E-02 Gb(Abramov) 0.4131373E+00 Vb(Abramov) -0.6106894E+00 Hb(Abramov) -0.1975522E+00 Ex_ueg -0.1112413E+00 Ec_ueg -0.1456188E-01 Delta_ex -0.1044720E+00 Delta_ec 0.1915630E-01 Delta_et -0.2660729E+00 Pxc 0.7639215E+01 Qxc -0.5453662E+01 3,-1 124 3 -1 0.061559 -3.169673 -3.229268 Rho 0.2531824E+00 |GRAD(Rho)| 0.1304783E-11 GRAD(Rho)x -0.2482632E-12 GRAD(Rho)y 0.8957866E-12 GRAD(Rho)z 0.9156372E-12 Laplacian 0.9203316E+00 (-1/4)Del**2(Rho)) -0.2300829E+00 Diamond 0.3456250E+01 Metallicity 0.7586791E+01 Ellipticity 0.1170240E-02 Gb(Abramov) 0.4443204E+00 Vb(Abramov) -0.6585579E+00 Hb(Abramov) -0.2142375E+00 Ex_ueg -0.1182941E+00 Ec_ueg -0.1535513E-01 Delta_ex -0.1126884E+00 Delta_ec 0.1987302E-01 Delta_et -0.2750364E+00 Pxc 0.7703881E+01 Qxc -0.5670420E+01 3,-1 125 3 +1 0.174794 0.201588 -2.892260 Rho 0.5390078E-02 |GRAD(Rho)| 0.5223534E-12 GRAD(Rho)x 0.3541936E-12 GRAD(Rho)y 0.3534627E-12 GRAD(Rho)z -0.1498804E-12 Laplacian 0.2241717E-01 (-1/4)Del**2(Rho)) -0.5604293E-02 Diamond 0.5402082E-03 Metallicity 0.5093591E+00 Ellipticity -0.2349434E+01 Gb(Abramov) 0.4211962E-02 Vb(Abramov) -0.2819630E-02 Hb(Abramov) 0.1392331E-02 Ex_ueg -0.6979834E-03 Ec_ueg -0.1637379E-03 Delta_ex -0.1098896E-02 Delta_ec 0.6487166E-03 Delta_et -0.3626308E-02 Pxc 0.4262810E+01 Qxc -0.1693953E+01 3,+1 126 3 +1 0.552091 1.656671 0.529662 Rho 0.8743715E-02 |GRAD(Rho)| 0.1314207E-14 GRAD(Rho)x -0.6701299E-15 GRAD(Rho)y 0.1884267E-15 GRAD(Rho)z 0.1114702E-14 Laplacian 0.3390496E-01 (-1/4)Del**2(Rho)) -0.8476240E-02 Diamond 0.9410871E-03 Metallicity 0.7542407E+00 Ellipticity -0.1475738E+01 Gb(Abramov) 0.6716347E-02 Vb(Abramov) -0.4956455E-02 Hb(Abramov) 0.1759892E-02 Ex_ueg -0.1330392E-02 Ec_ueg -0.3114149E-03 Delta_ex -0.1561165E-02 Delta_ec 0.4873411E-03 Delta_et -0.3336893E-02 Pxc 0.4272089E+01 Qxc -0.3203433E+01 3,+1 127 3 +1 1.059658 -2.172704 1.402911 Rho 0.2766586E-01 |GRAD(Rho)| 0.3476440E-13 GRAD(Rho)x -0.1609081E-13 GRAD(Rho)y -0.1536407E-13 GRAD(Rho)z 0.2671320E-13 Laplacian 0.1110416E+00 (-1/4)Del**2(Rho)) -0.2776041E-01 Diamond 0.1598868E-01 Metallicity 0.1570487E+01 Ellipticity -0.3096703E+01 Gb(Abramov) 0.2577317E-01 Vb(Abramov) -0.2378592E-01 Hb(Abramov) 0.1987244E-02 Ex_ueg -0.6179841E-02 Ec_ueg -0.1223851E-02 Delta_ex -0.7028987E-02 Delta_ec 0.1764170E-02 Delta_et -0.1597886E-01 Pxc 0.5049506E+01 Qxc -0.3984304E+01 3,+1 128 3 +1 1.735367 -1.734388 -1.736111 Rho 0.1236832E-01 |GRAD(Rho)| 0.1163698E-16 GRAD(Rho)x -0.5563866E-17 GRAD(Rho)y -0.1000115E-16 GRAD(Rho)z -0.2107047E-17 Laplacian 0.6249302E-01 (-1/4)Del**2(Rho)) -0.1562326E-01 Diamond 0.2590688E-02 Metallicity 0.7294009E+00 Ellipticity -0.1242106E+01 Gb(Abramov) 0.1231477E-01 Vb(Abramov) -0.9006291E-02 Hb(Abramov) 0.3308482E-02 Ex_ueg -0.2112513E-02 Ec_ueg -0.4765987E-03 Delta_ex -0.3091033E-02 Delta_ec 0.8015223E-03 Delta_et -0.6061905E-02 Pxc 0.4432479E+01 Qxc -0.3856454E+01 3,+1 129 3 -1 -0.083008 3.161193 -3.243118 Rho 0.2421969E+00 |GRAD(Rho)| 0.4937181E-14 GRAD(Rho)x -0.2554584E-14 GRAD(Rho)y -0.4220691E-14 GRAD(Rho)z -0.1887596E-15 Laplacian 0.8637373E+00 (-1/4)Del**2(Rho)) -0.2159343E+00 Diamond 0.3104544E+01 Metallicity 0.7507794E+01 Ellipticity 0.2402453E-03 Gb(Abramov) 0.4141546E+00 Vb(Abramov) -0.6123749E+00 Hb(Abramov) -0.1982203E+00 Ex_ueg -0.1115004E+00 Ec_ueg -0.1459111E-01 Delta_ex -0.1046903E+00 Delta_ec 0.1917991E-01 Delta_et -0.2664284E+00 Pxc 0.7641667E+01 Qxc -0.5458329E+01 3,-1 130 3 -1 0.066388 3.158648 3.236567 Rho 0.2528118E+00 |GRAD(Rho)| 0.6414324E-15 GRAD(Rho)x 0.9467795E-16 GRAD(Rho)y 0.3272122E-15 GRAD(Rho)z 0.5435105E-15 Laplacian 0.9187626E+00 (-1/4)Del**2(Rho)) -0.2296907E+00 Diamond 0.3445849E+01 Metallicity 0.7581214E+01 Ellipticity 0.1612348E-02 Gb(Abramov) 0.4433494E+00 Vb(Abramov) -0.6570082E+00 Hb(Abramov) -0.2136588E+00 Ex_ueg -0.1180633E+00 Ec_ueg -0.1532925E-01 Delta_ex -0.1124607E+00 Delta_ec 0.1986197E-01 Delta_et -0.2749432E+00 Pxc 0.7701831E+01 Qxc -0.5662113E+01 3,-1 131 3 -1 0.485446 -0.478149 0.465327 Rho 0.1890898E+00 |GRAD(Rho)| 0.3822695E-15 GRAD(Rho)x -0.1040834E-15 GRAD(Rho)y 0.2151057E-15 GRAD(Rho)z -0.2983724E-15 Laplacian 0.5261955E+00 (-1/4)Del**2(Rho)) -0.1315489E+00 Diamond 0.1433717E+01 Metallicity 0.8157918E+01 Ellipticity 0.2190329E-02 Gb(Abramov) 0.2665601E+00 Vb(Abramov) -0.4015713E+00 Hb(Abramov) -0.1350112E+00 Ex_ueg -0.8015717E-01 Ec_ueg -0.1099124E-01 Delta_ex -0.6005650E-01 Delta_ec 0.1290968E-01 Delta_et -0.1776665E+00 Pxc 0.7292825E+01 Qxc -0.4652054E+01 3,-1 132 3 -1 0.480068 0.467863 -0.478389 Rho 0.1887576E+00 |GRAD(Rho)| 0.8593787E-14 GRAD(Rho)x 0.4708040E-14 GRAD(Rho)y 0.5245804E-14 GRAD(Rho)z -0.4916206E-14 Laplacian 0.5248176E+00 (-1/4)Del**2(Rho)) -0.1312044E+00 Diamond 0.1427176E+01 Metallicity 0.8155407E+01 Ellipticity 0.2741709E-02 Gb(Abramov) 0.2658071E+00 Vb(Abramov) -0.4004099E+00 Hb(Abramov) -0.1346027E+00 Ex_ueg -0.7996951E-01 Ec_ueg -0.1096922E-01 Delta_ex -0.5987440E-01 Delta_ec 0.1288487E-01 Delta_et -0.1773023E+00 Pxc 0.7290355E+01 Qxc -0.4646875E+01 3,-1 133 3 +1 1.683967 0.549526 0.522804 Rho 0.8571650E-02 |GRAD(Rho)| 0.1293254E-16 GRAD(Rho)x -0.7972638E-17 GRAD(Rho)y -0.2561878E-17 GRAD(Rho)z -0.9855172E-17 Laplacian 0.3289024E-01 (-1/4)Del**2(Rho)) -0.8222560E-02 Diamond 0.8987913E-03 Metallicity 0.7521772E+00 Ellipticity -0.1494004E+01 Gb(Abramov) 0.6512511E-02 Vb(Abramov) -0.4802461E-02 Hb(Abramov) 0.1710050E-02 Ex_ueg -0.1295600E-02 Ec_ueg -0.3037118E-03 Delta_ex -0.1511508E-02 Delta_ec 0.4810467E-03 Delta_et -0.3270319E-02 Pxc 0.4265886E+01 Qxc -0.3142124E+01 3,+1 134 3 -1 1.958753 -3.019556 0.865465 Rho 0.1507641E+00 |GRAD(Rho)| 0.1044357E-12 GRAD(Rho)x 0.8348076E-13 GRAD(Rho)y 0.6043314E-13 GRAD(Rho)z 0.1689984E-13 Laplacian 0.5932046E+00 (-1/4)Del**2(Rho)) -0.1483012E+00 Diamond 0.1213317E+01 Metallicity 0.4961031E+01 Ellipticity 0.4878963E-01 Gb(Abramov) 0.2214886E+00 Vb(Abramov) -0.2946760E+00 Hb(Abramov) -0.7318740E-01 Ex_ueg -0.5926283E-01 Ec_ueg -0.8492447E-02 Delta_ex -0.6382212E-01 Delta_ec 0.1509961E-01 Delta_et -0.2013045E+00 Pxc 0.6978299E+01 Qxc -0.4226739E+01 3,-1 135 3 -1 0.552920 -2.763282 -1.822751 Rho 0.1399324E+00 |GRAD(Rho)| 0.2516970E-13 GRAD(Rho)x 0.2433671E-13 GRAD(Rho)y 0.6394211E-14 GRAD(Rho)z -0.5936413E-15 Laplacian 0.5893968E+00 (-1/4)Del**2(Rho)) -0.1473492E+00 Diamond 0.1100044E+01 Metallicity 0.4409636E+01 Ellipticity 0.8405548E-02 Gb(Abramov) 0.2065255E+00 Vb(Abramov) -0.2657018E+00 Hb(Abramov) -0.5917631E-01 Ex_ueg -0.5365492E-01 Ec_ueg -0.7802192E-02 Delta_ex -0.6224258E-01 Delta_ec 0.1523673E-01 Delta_et -0.2008495E+00 Pxc 0.6876903E+01 Qxc -0.4085036E+01 3,-1 136 3 -1 0.843577 -2.982856 2.022546 Rho 0.1233346E+00 |GRAD(Rho)| 0.1465722E-12 GRAD(Rho)x -0.9813817E-13 GRAD(Rho)y 0.4974300E-13 GRAD(Rho)z 0.9683983E-13 Laplacian 0.4789647E+00 (-1/4)Del**2(Rho)) -0.1197412E+00 Diamond 0.7630060E+00 Metallicity 0.4396608E+01 Ellipticity 0.3531481E-01 Gb(Abramov) 0.1675699E+00 Vb(Abramov) -0.2153987E+00 Hb(Abramov) -0.4782877E-01 Ex_ueg -0.4534174E-01 Ec_ueg -0.6759095E-02 Delta_ex -0.4899653E-01 Delta_ec 0.1264410E-01 Delta_et -0.1631185E+00 Pxc 0.6708256E+01 Qxc -0.3875050E+01 3,-1 137 3 -1 0.520365 1.713186 -1.765289 Rho 0.4284770E-01 |GRAD(Rho)| 0.2468803E-15 GRAD(Rho)x 0.6537072E-16 GRAD(Rho)y -0.1797315E-15 GRAD(Rho)z 0.1561190E-15 Laplacian 0.1807237E+00 (-1/4)Del**2(Rho)) -0.4518092E-01 Diamond 0.7598533E-01 Metallicity 0.2000525E+01 Ellipticity 0.2181470E-01 Gb(Abramov) 0.4518487E-01 Vb(Abramov) -0.4518883E-01 Hb(Abramov) -0.3954279E-05 Ex_ueg -0.1107359E-01 Ec_ueg -0.2023513E-02 Delta_ex -0.1440263E-01 Delta_ec 0.5552970E-02 Delta_et -0.5624139E-01 Pxc 0.5472459E+01 Qxc -0.2593681E+01 3,-1 138 3 +3 1.136350 1.104452 1.100660 Rho 0.5172013E-02 |GRAD(Rho)| 0.7811230E-14 GRAD(Rho)x -0.2921503E-14 GRAD(Rho)y -0.6664953E-14 GRAD(Rho)z -0.2838755E-14 Laplacian 0.1996050E-01 (-1/4)Del**2(Rho)) -0.4990126E-02 Diamond 0.1452189E-03 Metallicity 0.5339997E+00 Ellipticity -0.9939547E-01 Gb(Abramov) 0.3770872E-02 Vb(Abramov) -0.2551617E-02 Hb(Abramov) 0.1219254E-02 Ex_ueg -0.6605888E-03 Ec_ueg -0.1543227E-03 Delta_ex -0.6954387E-03 Delta_ec 0.8668399E-04 Delta_et -0.6937961E-03 Pxc 0.4280567E+01 Qxc -0.8022689E+01 3,+3 139 3 -1 0.565410 1.771319 2.794791 Rho 0.1479758E+00 |GRAD(Rho)| 0.2460728E-15 GRAD(Rho)x -0.1002209E-15 GRAD(Rho)y 0.2209062E-15 GRAD(Rho)z -0.4132843E-16 Laplacian 0.6198271E+00 (-1/4)Del**2(Rho)) -0.1549568E+00 Diamond 0.1232027E+01 Metallicity 0.4602499E+01 Ellipticity 0.1325119E-01 Gb(Abramov) 0.2221693E+00 Vb(Abramov) -0.2893817E+00 Hb(Abramov) -0.6721247E-01 Ex_ueg -0.5780596E-01 Ec_ueg -0.8314061E-02 Delta_ex -0.6630411E-01 Delta_ec 0.1571211E-01 Delta_et -0.2086086E+00 Pxc 0.6952794E+01 Qxc -0.4219936E+01 3,-1 140 3 -1 0.852414 1.980922 -3.006890 Rho 0.1371303E+00 |GRAD(Rho)| 0.4172585E-15 GRAD(Rho)x -0.2947810E-15 GRAD(Rho)y 0.1271905E-15 GRAD(Rho)z 0.2665172E-15 Laplacian 0.5362421E+00 (-1/4)Del**2(Rho)) -0.1340605E+00 Diamond 0.9674098E+00 Metallicity 0.4686063E+01 Ellipticity 0.5625993E-01 Gb(Abramov) 0.1940764E+00 Vb(Abramov) -0.2540922E+00 Hb(Abramov) -0.6001583E-01 Ex_ueg -0.5222716E-01 Ec_ueg -0.7624831E-02 Delta_ex -0.5624591E-01 Delta_ec 0.1374242E-01 Delta_et -0.1802128E+00 Pxc 0.6849615E+01 Qxc -0.4092869E+01 3,-1 141 3 +1 2.889328 -0.171070 0.188434 Rho 0.5383338E-02 |GRAD(Rho)| 0.2884836E-18 GRAD(Rho)x 0.2139189E-18 GRAD(Rho)y -0.1643840E-19 GRAD(Rho)z -0.1928504E-18 Laplacian 0.2225864E-01 (-1/4)Del**2(Rho)) -0.5564659E-02 Diamond 0.5510527E-03 Metallicity 0.5119183E+00 Ellipticity -0.2749455E+01 Gb(Abramov) 0.4184548E-02 Vb(Abramov) -0.2804437E-02 Hb(Abramov) 0.1380111E-02 Ex_ueg -0.6968200E-03 Ec_ueg -0.1634465E-03 Delta_ex -0.1103949E-02 Delta_ec 0.6675166E-03 Delta_et -0.3719814E-02 Pxc 0.4263290E+01 Qxc -0.1653816E+01 3,+1 142 3 +1 1.758690 1.729656 1.752768 Rho 0.1205841E-01 |GRAD(Rho)| 0.1669806E-16 GRAD(Rho)x -0.1179220E-16 GRAD(Rho)y 0.6249276E-17 GRAD(Rho)z 0.1003573E-16 Laplacian 0.6059127E-01 (-1/4)Del**2(Rho)) -0.1514782E-01 Diamond 0.2446402E-02 Metallicity 0.7211399E+00 Ellipticity -0.1253312E+01 Gb(Abramov) 0.1191916E-01 Vb(Abramov) -0.8690505E-02 Hb(Abramov) 0.3228657E-02 Ex_ueg -0.2042231E-02 Ec_ueg -0.4622659E-03 Delta_ex -0.2982800E-02 Delta_ec 0.7876424E-03 Delta_et -0.5912126E-02 Pxc 0.4417871E+01 Qxc -0.3786998E+01 3,+1 143 3 -1 1.799678 2.800921 0.555770 Rho 0.1339801E+00 |GRAD(Rho)| 0.3793741E-15 GRAD(Rho)x -0.1565317E-16 GRAD(Rho)y 0.1658423E-15 GRAD(Rho)z 0.3408461E-15 Laplacian 0.5643443E+00 (-1/4)Del**2(Rho)) -0.1410861E+00 Diamond 0.9838584E+00 Metallicity 0.4283541E+01 Ellipticity 0.1724098E-01 Gb(Abramov) 0.1947821E+00 Vb(Abramov) -0.2484780E+00 Hb(Abramov) -0.5369597E-01 Ex_ueg -0.5063361E-01 Ec_ueg -0.7426039E-02 Delta_ex -0.5878806E-01 Delta_ec 0.1441593E-01 Delta_et -0.1881195E+00 Pxc 0.6818387E+01 Qxc -0.4077994E+01 3,-1 144 3 -1 0.831849 2.980531 -2.027670 Rho 0.1119368E+00 |GRAD(Rho)| 0.4933858E-15 GRAD(Rho)x 0.4124034E-15 GRAD(Rho)y 0.2133812E-15 GRAD(Rho)z 0.1667977E-15 Laplacian 0.4351846E+00 (-1/4)Del**2(Rho)) -0.1087962E+00 Diamond 0.6179357E+00 Metallicity 0.4116810E+01 Ellipticity 0.2625832E-01 Gb(Abramov) 0.1471796E+00 Vb(Abramov) -0.1855631E+00 Hb(Abramov) -0.3838347E-01 Ex_ueg -0.3984270E-01 Ec_ueg -0.6053645E-02 Delta_ex -0.4351599E-01 Delta_ec 0.1177675E-01 Delta_et -0.1494006E+00 Pxc 0.6581604E+01 Qxc -0.3695076E+01 3,-1 145 3 +1 1.083875 2.179724 -1.387493 Rho 0.2645877E-01 |GRAD(Rho)| 0.1602817E-16 GRAD(Rho)x 0.1346066E-16 GRAD(Rho)y 0.8693964E-17 GRAD(Rho)z -0.3576435E-18 Laplacian 0.1059260E+00 (-1/4)Del**2(Rho)) -0.2648151E-01 Diamond 0.1532511E-01 Metallicity 0.1528363E+01 Ellipticity -0.4053630E+01 Gb(Abramov) 0.2439990E-01 Vb(Abramov) -0.2231829E-01 Hb(Abramov) 0.2081612E-02 Ex_ueg -0.5822970E-02 Ec_ueg -0.1162438E-02 Delta_ex -0.6723599E-02 Delta_ec 0.1859682E-02 Delta_et -0.1663213E-01 Pxc 0.5009275E+01 Qxc -0.3615457E+01 3,+1 146 3 -1 0.566301 2.750366 1.832192 Rho 0.1368095E+00 |GRAD(Rho)| 0.4528754E-15 GRAD(Rho)x 0.2380772E-15 GRAD(Rho)y 0.1082169E-16 GRAD(Rho)z -0.3850951E-15 Laplacian 0.5747497E+00 (-1/4)Del**2(Rho)) -0.1436874E+00 Diamond 0.1045195E+01 Metallicity 0.4355067E+01 Ellipticity 0.1067693E-01 Gb(Abramov) 0.2000864E+00 Vb(Abramov) -0.2564853E+00 Hb(Abramov) -0.5639892E-01 Ex_ueg -0.5206431E-01 Ec_ueg -0.7604556E-02 Delta_ex -0.6037704E-01 Delta_ec 0.1496346E-01 Delta_et -0.1966155E+00 Pxc 0.6846462E+01 Qxc -0.4034965E+01 3,-1 147 3 -1 0.865219 -1.982070 3.021515 Rho 0.1534196E+00 |GRAD(Rho)| 0.3717061E-15 GRAD(Rho)x -0.2563325E-15 GRAD(Rho)y -0.2363290E-15 GRAD(Rho)z -0.1288710E-15 Laplacian 0.5987907E+00 (-1/4)Del**2(Rho)) -0.1496977E+00 Diamond 0.1234657E+01 Metallicity 0.5059873E+01 Ellipticity 0.7056290E-01 Gb(Abramov) 0.2260403E+00 Vb(Abramov) -0.3023829E+00 Hb(Abramov) -0.7634264E-01 Ex_ueg -0.6065867E-01 Ec_ueg -0.8662777E-02 Delta_ex -0.6454541E-01 Delta_ec 0.1489887E-01 Delta_et -0.1984501E+00 Pxc 0.7002220E+01 Qxc -0.4332235E+01 3,-1 148 3 -1 1.735959 0.530907 -1.708955 Rho 0.5021842E-01 |GRAD(Rho)| 0.2270944E-16 GRAD(Rho)x 0.1413105E-16 GRAD(Rho)y -0.4338926E-17 GRAD(Rho)z 0.1723966E-16 Laplacian 0.2054988E+00 (-1/4)Del**2(Rho)) -0.5137469E-01 Diamond 0.1039903E+00 Metallicity 0.2292146E+01 Ellipticity 0.1122656E-01 Gb(Abramov) 0.5387617E-01 Vb(Abramov) -0.5637766E-01 Hb(Abramov) -0.2501487E-02 Ex_ueg -0.1368366E-01 Ec_ueg -0.2426951E-02 Delta_ex -0.1689933E-01 Delta_ec 0.6061512E-02 Delta_et -0.6397251E-01 Pxc 0.5638213E+01 Qxc -0.2787973E+01 3,-1 149 3 -1 1.713951 -1.747258 0.536481 Rho 0.4981080E-01 |GRAD(Rho)| 0.2627757E-15 GRAD(Rho)x 0.1716741E-15 GRAD(Rho)y -0.1963791E-15 GRAD(Rho)z -0.3184844E-16 Laplacian 0.2044520E+00 (-1/4)Del**2(Rho)) -0.5111301E-01 Diamond 0.1024053E+00 Metallicity 0.2272799E+01 Ellipticity 0.1192135E-01 Gb(Abramov) 0.5343693E-01 Vb(Abramov) -0.5576086E-01 Hb(Abramov) -0.2323927E-02 Ex_ueg -0.1353577E-01 Ec_ueg -0.2404419E-02 Delta_ex -0.1678239E-01 Delta_ec 0.6037565E-02 Delta_et -0.6358659E-01 Pxc 0.5629542E+01 Qxc -0.2779662E+01 3,-1 150 3 +1 2.176802 -1.092581 1.366502 Rho 0.2832638E-01 |GRAD(Rho)| 0.4689731E-16 GRAD(Rho)x 0.4595050E-16 GRAD(Rho)y 0.2879932E-17 GRAD(Rho)z 0.8922744E-17 Laplacian 0.1147231E+00 (-1/4)Del**2(Rho)) -0.2868079E-01 Diamond 0.1783648E-01 Metallicity 0.1581056E+01 Ellipticity -0.3847374E+01 Gb(Abramov) 0.2667818E-01 Vb(Abramov) -0.2467557E-01 Hb(Abramov) 0.2002606E-02 Ex_ueg -0.6377344E-02 Ec_ueg -0.1257608E-02 Delta_ex -0.7379607E-02 Delta_ec 0.1949236E-02 Delta_et -0.1773410E-01 Pxc 0.5071013E+01 Qxc -0.3785896E+01 3,+1 151 3 -1 2.011239 0.856883 -2.963729 Rho 0.1341343E+00 |GRAD(Rho)| 0.1920585E-15 GRAD(Rho)x 0.1269059E-15 GRAD(Rho)y -0.1403771E-15 GRAD(Rho)z -0.3279712E-16 Laplacian 0.5254788E+00 (-1/4)Del**2(Rho)) -0.1313697E+00 Diamond 0.9376424E+00 Metallicity 0.4609186E+01 Ellipticity 0.2893477E-01 Gb(Abramov) 0.1884977E+00 Vb(Abramov) -0.2456257E+00 Hb(Abramov) -0.5712799E-01 Ex_ueg -0.5071130E-01 Ec_ueg -0.7435751E-02 Delta_ex -0.5498915E-01 Delta_ec 0.1383791E-01 Delta_et -0.1814437E+00 Pxc 0.6819929E+01 Qxc -0.3973803E+01 3,-1 152 3 +3 2.333745 0.029876 0.002622 Rho 0.4729864E-02 |GRAD(Rho)| 0.1125925E-17 GRAD(Rho)x 0.3488587E-18 GRAD(Rho)y -0.2519880E-18 GRAD(Rho)z -0.1040436E-17 Laplacian 0.1924833E-01 (-1/4)Del**2(Rho)) -0.4812083E-02 Diamond 0.1813791E-03 Metallicity 0.4771275E+00 Ellipticity -0.3461470E+00 Gb(Abramov) 0.3590718E-02 Vb(Abramov) -0.2369353E-02 Hb(Abramov) 0.1221365E-02 Ex_ueg -0.5863855E-03 Ec_ueg -0.1353063E-03 Delta_ex -0.7116600E-03 Delta_ec 0.1862029E-03 Delta_et -0.1165246E-02 Pxc 0.4333763E+01 Qxc -0.3821960E+01 3,+3 153 3 -1 1.837134 0.557073 2.755466 Rho 0.1247066E+00 |GRAD(Rho)| 0.1314277E-15 GRAD(Rho)x 0.6524187E-16 GRAD(Rho)y -0.8872162E-16 GRAD(Rho)z 0.7173014E-16 Laplacian 0.5204401E+00 (-1/4)Del**2(Rho)) -0.1301100E+00 Diamond 0.8359750E+00 Metallicity 0.4121526E+01 Ellipticity 0.1583393E-02 Gb(Abramov) 0.1761153E+00 Vb(Abramov) -0.2221206E+00 Hb(Abramov) -0.4600531E-01 Ex_ueg -0.4601551E-01 Ec_ueg -0.6844624E-02 Delta_ex -0.5332731E-01 Delta_ec 0.1360752E-01 Delta_et -0.1757052E+00 Pxc 0.6722869E+01 Qxc -0.3918960E+01 3,-1 154 3 -1 1.717385 1.768559 -0.555880 Rho 0.4233950E-01 |GRAD(Rho)| 0.4213277E-16 GRAD(Rho)x 0.3521539E-18 GRAD(Rho)y 0.4156645E-16 GRAD(Rho)z 0.6875790E-17 Laplacian 0.1794931E+00 (-1/4)Del**2(Rho)) -0.4487329E-01 Diamond 0.7420545E-01 Metallicity 0.1974580E+01 Ellipticity 0.9240264E-02 Gb(Abramov) 0.4468317E-01 Vb(Abramov) -0.4449306E-01 Hb(Abramov) 0.1901118E-03 Ex_ueg -0.1089882E-01 Ec_ueg -0.1996024E-02 Delta_ex -0.1425981E-01 Delta_ec 0.5510925E-02 Delta_et -0.5563577E-01 Pxc 0.5460262E+01 Qxc -0.2587553E+01 3,-1 155 3 -1 1.778908 -2.790213 -0.564664 Rho 0.1421853E+00 |GRAD(Rho)| 0.2218144E-15 GRAD(Rho)x 0.9085614E-16 GRAD(Rho)y -0.4173501E-16 GRAD(Rho)z 0.1980024E-15 Laplacian 0.6009831E+00 (-1/4)Del**2(Rho)) -0.1502458E+00 Diamond 0.1141795E+01 Metallicity 0.4441286E+01 Ellipticity 0.8966494E-02 Gb(Abramov) 0.2113779E+00 Vb(Abramov) -0.2725101E+00 Hb(Abramov) -0.6113215E-01 Ex_ueg -0.5480977E-01 Ec_ueg -0.7945153E-02 Delta_ex -0.6369653E-01 Delta_ec 0.1544524E-01 Delta_et -0.2040206E+00 Pxc 0.6898517E+01 Qxc -0.4124024E+01 3,-1 156 3 -1 1.976501 3.038275 -0.877303 Rho 0.1527319E+00 |GRAD(Rho)| 0.4388098E-15 GRAD(Rho)x 0.3190400E-15 GRAD(Rho)y -0.8948734E-16 GRAD(Rho)z 0.2876795E-15 Laplacian 0.5964827E+00 (-1/4)Del**2(Rho)) -0.1491207E+00 Diamond 0.1223939E+01 Metallicity 0.5041559E+01 Ellipticity 0.6932107E-01 Gb(Abramov) 0.2247139E+00 Vb(Abramov) -0.3003071E+00 Hb(Abramov) -0.7559323E-01 Ex_ueg -0.6029640E-01 Ec_ueg -0.8618623E-02 Delta_ex -0.6423169E-01 Delta_ec 0.1486968E-01 Delta_et -0.1979713E+00 Pxc 0.6996059E+01 Qxc -0.4319642E+01 3,-1 157 3 +1 2.162374 1.406067 -1.064690 Rho 0.2800310E-01 |GRAD(Rho)| 0.4682734E-16 GRAD(Rho)x -0.3987354E-16 GRAD(Rho)y -0.2270508E-16 GRAD(Rho)z -0.9347715E-17 Laplacian 0.1128117E+00 (-1/4)Del**2(Rho)) -0.2820293E-01 Diamond 0.1675946E-01 Metallicity 0.1577378E+01 Ellipticity -0.3307077E+01 Gb(Abramov) 0.2621640E-01 Vb(Abramov) -0.2422987E-01 Hb(Abramov) 0.1986530E-02 Ex_ueg -0.6280484E-02 Ec_ueg -0.1241072E-02 Delta_ex -0.7187163E-02 Delta_ec 0.1832644E-02 Delta_et -0.1663985E-01 Pxc 0.5060531E+01 Qxc -0.3921745E+01 3,+1 158 3 -1 1.811496 -0.550052 -2.749324 Rho 0.1385805E+00 |GRAD(Rho)| 0.3611600E-12 GRAD(Rho)x 0.2703345E-12 GRAD(Rho)y 0.2330178E-12 GRAD(Rho)z 0.5530408E-13 Laplacian 0.5832660E+00 (-1/4)Del**2(Rho)) -0.1458165E+00 Diamond 0.1075446E+01 Metallicity 0.4384467E+01 Ellipticity 0.7349728E-02 Gb(Abramov) 0.2037656E+00 Vb(Abramov) -0.2617147E+00 Hb(Abramov) -0.5794910E-01 Ex_ueg -0.5296487E-01 Ec_ueg -0.7716559E-02 Delta_ex -0.6144393E-01 Delta_ec 0.1510332E-01 Delta_et -0.1987759E+00 Pxc 0.6863794E+01 Qxc -0.4068241E+01 3,-1 159 3 -1 2.025004 -0.834062 2.963077 Rho 0.1085382E+00 |GRAD(Rho)| 0.6062335E-16 GRAD(Rho)x 0.1954952E-16 GRAD(Rho)y 0.5426432E-16 GRAD(Rho)z -0.1866522E-16 Laplacian 0.4206811E+00 (-1/4)Del**2(Rho)) -0.1051703E+00 Diamond 0.5753856E+00 Metallicity 0.4045426E+01 Ellipticity 0.2298398E-01 Gb(Abramov) 0.1410233E+00 Vb(Abramov) -0.1768763E+00 Hb(Abramov) -0.3585300E-01 Ex_ueg -0.3823799E-01 Ec_ueg -0.5845104E-02 Delta_ex -0.4175774E-01 Delta_ec 0.1145945E-01 Delta_et -0.1445407E+00 Pxc 0.6541883E+01 Qxc -0.3643957E+01 3,-1 160 3 -1 2.779955 -0.569086 -1.767433 Rho 0.1473801E+00 |GRAD(Rho)| 0.1861898E-15 GRAD(Rho)x 0.1132991E-16 GRAD(Rho)y -0.3835365E-17 GRAD(Rho)z 0.1858051E-15 Laplacian 0.6220602E+00 (-1/4)Del**2(Rho)) -0.1555151E+00 Diamond 0.1231154E+01 Metallicity 0.4555249E+01 Ellipticity 0.9642555E-02 Gb(Abramov) 0.2217450E+00 Vb(Abramov) -0.2879750E+00 Hb(Abramov) -0.6622996E-01 Ex_ueg -0.5749590E-01 Ec_ueg -0.8276014E-02 Delta_ex -0.6648389E-01 Delta_ec 0.1579658E-01 Delta_et -0.2096383E+00 Pxc 0.6947293E+01 Qxc -0.4208753E+01 3,-1 161 3 -1 1.767243 -0.521467 1.703516 Rho 0.4283851E-01 |GRAD(Rho)| 0.9873638E-16 GRAD(Rho)x -0.7352161E-16 GRAD(Rho)y -0.5827502E-16 GRAD(Rho)z 0.3078097E-16 Laplacian 0.1801913E+00 (-1/4)Del**2(Rho)) -0.4504783E-01 Diamond 0.7574411E-01 Metallicity 0.2005718E+01 Ellipticity 0.1450673E-01 Gb(Abramov) 0.4509076E-01 Vb(Abramov) -0.4513369E-01 Hb(Abramov) -0.4293058E-04 Ex_ueg -0.1107042E-01 Ec_ueg -0.2023015E-02 Delta_ex -0.1435969E-01 Delta_ec 0.5537065E-02 Delta_et -0.5607712E-01 Pxc 0.5472239E+01 Qxc -0.2593376E+01 3,-1 162 3 +1 2.902199 0.192366 -0.165499 Rho 0.5349419E-02 |GRAD(Rho)| 0.6104920E-17 GRAD(Rho)x 0.8669482E-18 GRAD(Rho)y 0.3710905E-17 GRAD(Rho)z 0.4769447E-17 Laplacian 0.2207663E-01 (-1/4)Del**2(Rho)) -0.5519157E-02 Diamond 0.5227179E-03 Metallicity 0.5107301E+00 Ellipticity -0.2309303E+01 Gb(Abramov) 0.4149238E-02 Vb(Abramov) -0.2779319E-02 Hb(Abramov) 0.1369919E-02 Ex_ueg -0.6909721E-03 Ec_ueg -0.1619806E-03 Delta_ex -0.1077257E-02 Delta_ec 0.6329675E-03 Delta_et -0.3532891E-02 Pxc 0.4265772E+01 Qxc -0.1701915E+01 3,+1 163 3 -1 3.003079 0.861168 -1.955480 Rho 0.1445405E+00 |GRAD(Rho)| 0.1941613E-15 GRAD(Rho)x 0.1057910E-15 GRAD(Rho)y 0.1429114E-15 GRAD(Rho)z 0.7799479E-16 Laplacian 0.5683661E+00 (-1/4)Del**2(Rho)) -0.1420915E+00 Diamond 0.1106753E+01 Metallicity 0.4826523E+01 Ellipticity 0.4249201E-01 Gb(Abramov) 0.2090290E+00 Vb(Abramov) -0.2759665E+00 Hb(Abramov) -0.6693750E-01 Ex_ueg -0.5602363E-01 Ec_ueg -0.8094950E-02 Delta_ex -0.6053842E-01 Delta_ec 0.1464925E-01 Delta_et -0.1941938E+00 Pxc 0.6920812E+01 Qxc -0.4132527E+01 3,-1 164 3 +1 1.087149 1.369298 -2.171927 Rho 0.2864945E-01 |GRAD(Rho)| 0.5007870E-16 GRAD(Rho)x -0.2965595E-16 GRAD(Rho)y -0.1874190E-16 GRAD(Rho)z 0.3573712E-16 Laplacian 0.1166794E+00 (-1/4)Del**2(Rho)) -0.2916985E-01 Diamond 0.1865469E-01 Metallicity 0.1584210E+01 Ellipticity -0.4138265E+01 Gb(Abramov) 0.2714843E-01 Vb(Abramov) -0.2512701E-01 Hb(Abramov) 0.2021422E-02 Ex_ueg -0.6474508E-02 Ec_ueg -0.1274157E-02 Delta_ex -0.7549078E-02 Delta_ec 0.2019397E-02 Delta_et -0.1841759E-01 Pxc 0.5081406E+01 Qxc -0.3738284E+01 3,+1 165 3 -1 2.767236 1.855887 0.537373 Rho 0.1074326E+00 |GRAD(Rho)| 0.4714569E-12 GRAD(Rho)x -0.6700817E-13 GRAD(Rho)y 0.3625046E-12 GRAD(Rho)z -0.2938911E-12 Laplacian 0.4451036E+00 (-1/4)Del**2(Rho)) -0.1112759E+00 Diamond 0.5999068E+00 Metallicity 0.3758769E+01 Ellipticity 0.9374160E-02 Gb(Abramov) 0.1438940E+00 Vb(Abramov) -0.1765121E+00 Hb(Abramov) -0.3261810E-01 Ex_ueg -0.3771956E-01 Ec_ueg -0.5777452E-02 Delta_ex -0.4405348E-01 Delta_ec 0.1211343E-01 Delta_et -0.1524413E+00 Pxc 0.6528753E+01 Qxc -0.3636747E+01 3,-1 166 3 -1 2.753353 -1.825074 -0.540207 Rho 0.1335153E+00 |GRAD(Rho)| 0.7261150E-15 GRAD(Rho)x 0.1171514E-15 GRAD(Rho)y 0.6072887E-15 GRAD(Rho)z -0.3804194E-15 Laplacian 0.5616465E+00 (-1/4)Del**2(Rho)) -0.1404116E+00 Diamond 0.9918368E+00 Metallicity 0.4279256E+01 Ellipticity 0.8692136E-02 Gb(Abramov) 0.1937506E+00 Vb(Abramov) -0.2470897E+00 Hb(Abramov) -0.5333901E-01 Ex_ueg -0.5039951E-01 Ec_ueg -0.7396759E-02 Delta_ex -0.5865262E-01 Delta_ec 0.1470730E-01 Delta_et -0.1925095E+00 Pxc 0.6813729E+01 Qxc -0.3987993E+01 3,-1 167 3 -1 2.972621 -2.025304 0.864151 Rho 0.1391637E+00 |GRAD(Rho)| 0.2199536E-15 GRAD(Rho)x -0.3208561E-16 GRAD(Rho)y 0.1557727E-15 GRAD(Rho)z -0.1519374E-15 Laplacian 0.5458348E+00 (-1/4)Del**2(Rho)) -0.1364587E+00 Diamond 0.1017463E+01 Metallicity 0.4718042E+01 Ellipticity 0.3382974E-01 Gb(Abramov) 0.1982755E+00 Vb(Abramov) -0.2600922E+00 Hb(Abramov) -0.6181676E-01 Ex_ueg -0.5326227E-01 Ec_ueg -0.7753485E-02 Delta_ex -0.5762496E-01 Delta_ec 0.1423647E-01 Delta_et -0.1877281E+00 Pxc 0.6869462E+01 Qxc -0.4047701E+01 3,-1 168 3 -1 3.161250 3.263480 0.036885 Rho 0.2420140E+00 |GRAD(Rho)| 0.1291351E-11 GRAD(Rho)x -0.9024462E-12 GRAD(Rho)y -0.8842602E-12 GRAD(Rho)z -0.2669505E-12 Laplacian 0.8634683E+00 (-1/4)Del**2(Rho)) -0.2158671E+00 Diamond 0.3099961E+01 Metallicity 0.7500685E+01 Ellipticity 0.8639728E-03 Gb(Abramov) 0.4137699E+00 Vb(Abramov) -0.6116727E+00 Hb(Abramov) -0.1979028E+00 Ex_ueg -0.1113882E+00 Ec_ueg -0.1457845E-01 Delta_ex -0.1046328E+00 Delta_ec 0.1917075E-01 Delta_et -0.2662608E+00 Pxc 0.7640606E+01 Qxc -0.5457943E+01 3,-1 169 3 -1 2.901457 -0.013923 0.034676 Rho 0.5415167E-02 |GRAD(Rho)| 0.1969799E-17 GRAD(Rho)x -0.3676535E-18 GRAD(Rho)y -0.1551893E-17 GRAD(Rho)z -0.1156100E-17 Laplacian 0.2169785E-01 (-1/4)Del**2(Rho)) -0.5424463E-02 Diamond 0.6514004E-03 Metallicity 0.5303340E+00 Ellipticity 0.2535303E+01 Gb(Abramov) 0.4095772E-02 Vb(Abramov) -0.2767080E-02 Hb(Abramov) 0.1328691E-02 Ex_ueg -0.7023186E-03 Ec_ueg -0.1648227E-03 Delta_ex -0.1169194E-02 Delta_ec 0.8145956E-03 Delta_et -0.4478509E-02 Pxc 0.4261057E+01 Qxc -0.1435306E+01 3,-1 170 3 -1 3.011737 -0.857364 1.973341 Rho 0.1335764E+00 |GRAD(Rho)| 0.2726978E-15 GRAD(Rho)x -0.6078308E-16 GRAD(Rho)y 0.1242360E-15 GRAD(Rho)z 0.2350211E-15 Laplacian 0.5212928E+00 (-1/4)Del**2(Rho)) -0.1303232E+00 Diamond 0.9125384E+00 Metallicity 0.4614038E+01 Ellipticity 0.5177089E-01 Gb(Abramov) 0.1871015E+00 Vb(Abramov) -0.2438798E+00 Hb(Abramov) -0.5677831E-01 Ex_ueg -0.5043030E-01 Ec_ueg -0.7400612E-02 Delta_ex -0.5434520E-01 Delta_ec 0.1347176E-01 Delta_et -0.1760064E+00 Pxc 0.6814342E+01 Qxc -0.4034010E+01 3,-1 171 3 -1 3.222316 -0.066023 -3.152089 Rho 0.2522330E+00 |GRAD(Rho)| 0.3898843E-13 GRAD(Rho)x -0.2750187E-13 GRAD(Rho)y 0.7232767E-14 GRAD(Rho)z 0.2667267E-13 Laplacian 0.9223618E+00 (-1/4)Del**2(Rho)) -0.2305905E+00 Diamond 0.3445745E+01 Metallicity 0.7522835E+01 Ellipticity 0.1290478E-02 Gb(Abramov) 0.4428426E+00 Vb(Abramov) -0.6550948E+00 Hb(Abramov) -0.2122522E+00 Ex_ueg -0.1177030E+00 Ec_ueg -0.1528884E-01 Delta_ex -0.1128130E+00 Delta_ec 0.1991755E-01 Delta_et -0.2755306E+00 Pxc 0.7698622E+01 Qxc -0.5664000E+01 3,-1 172 3 -1 3.244413 0.082609 3.151083 Rho 0.2414788E+00 |GRAD(Rho)| 0.6248582E-15 GRAD(Rho)x 0.1717918E-15 GRAD(Rho)y 0.1370974E-15 GRAD(Rho)z 0.5849271E-15 Laplacian 0.8615955E+00 (-1/4)Del**2(Rho)) -0.2153989E+00 Diamond 0.3085471E+01 Metallicity 0.7489306E+01 Ellipticity 0.2513013E-02 Gb(Abramov) 0.4124639E+00 Vb(Abramov) -0.6095289E+00 Hb(Abramov) -0.1970650E+00 Ex_ueg -0.1110599E+00 Ec_ueg -0.1454140E-01 Delta_ex -0.1043480E+00 Delta_ec 0.1914611E-01 Delta_et -0.2659171E+00 Pxc 0.7637494E+01 Qxc -0.5450091E+01 3,-1 173 3 -1 3.160220 -3.237666 -0.052939 Rho 0.2523238E+00 |GRAD(Rho)| 0.3746777E-14 GRAD(Rho)x -0.3418381E-14 GRAD(Rho)y 0.6376193E-15 GRAD(Rho)z -0.1395151E-14 Laplacian 0.9224431E+00 (-1/4)Del**2(Rho)) -0.2306108E+00 Diamond 0.3447912E+01 Metallicity 0.7526689E+01 Ellipticity 0.1217360E-02 Gb(Abramov) 0.4430298E+00 Vb(Abramov) -0.6554488E+00 Hb(Abramov) -0.2124190E+00 Ex_ueg -0.1177595E+00 Ec_ueg -0.1529518E-01 Delta_ex -0.1128355E+00 Delta_ec 0.1992040E-01 Delta_et -0.2755871E+00 Pxc 0.7699127E+01 Qxc -0.5664319E+01 3,-1 174 3 -1 2.975132 2.032901 -0.852145 Rho 0.1284097E+00 |GRAD(Rho)| 0.2955925E-15 GRAD(Rho)x -0.8103056E-16 GRAD(Rho)y 0.2034099E-15 GRAD(Rho)z 0.1985784E-15 Laplacian 0.4989219E+00 (-1/4)Del**2(Rho)) -0.1247305E+00 Diamond 0.8335604E+00 Metallicity 0.4514158E+01 Ellipticity 0.4100575E-01 Gb(Abramov) 0.1769958E+00 Vb(Abramov) -0.2292612E+00 Hb(Abramov) -0.5226535E-01 Ex_ueg -0.4784633E-01 Ec_ueg -0.7076106E-02 Delta_ex -0.5152666E-01 Delta_ec 0.1302993E-01 Delta_et -0.1691941E+00 Pxc 0.6761676E+01 Qxc -0.3954486E+01 3,-1 175 3 -1 -3.161341 3.227193 -0.066150 Rho 0.2531116E+00 |GRAD(Rho)| 0.6970508E-13 GRAD(Rho)x 0.4852672E-13 GRAD(Rho)y -0.4848238E-13 GRAD(Rho)z 0.1238609E-13 Laplacian 0.9188258E+00 (-1/4)Del**2(Rho)) -0.2297065E+00 Diamond 0.3451595E+01 Metallicity 0.7595683E+01 Ellipticity 0.1469038E-02 Gb(Abramov) 0.4439339E+00 Vb(Abramov) -0.6581613E+00 Hb(Abramov) -0.2142274E+00 Ex_ueg -0.1182500E+00 Ec_ueg -0.1535019E-01 Delta_ex -0.1125065E+00 Delta_ec 0.1986134E-01 Delta_et -0.2749644E+00 Pxc 0.7703490E+01 Qxc -0.5664596E+01 3,-1 176 3 -1 -2.973607 -2.006518 -0.839352 Rho 0.1273399E+00 |GRAD(Rho)| 0.2070410E-15 GRAD(Rho)x 0.1710871E-15 GRAD(Rho)y -0.3094042E-16 GRAD(Rho)z 0.1124182E-15 Laplacian 0.5021642E+00 (-1/4)Del**2(Rho)) -0.1255411E+00 Diamond 0.8390658E+00 Metallicity 0.4422911E+01 Ellipticity 0.2035628E-01 Gb(Abramov) 0.1762368E+00 Vb(Abramov) -0.2269326E+00 Hb(Abramov) -0.5069579E-01 Ex_ueg -0.4731560E-01 Ec_ueg -0.7009139E-02 Delta_ex -0.5186215E-01 Delta_ec 0.1332846E-01 Delta_et -0.1731765E+00 Pxc 0.6750558E+01 Qxc -0.3891084E+01 3,-1 177 3 -1 -2.765232 -1.819243 0.561908 Rho 0.1377435E+00 |GRAD(Rho)| 0.3223414E-15 GRAD(Rho)x -0.1003836E-15 GRAD(Rho)y 0.1564368E-15 GRAD(Rho)z 0.2633527E-15 Laplacian 0.5783627E+00 (-1/4)Del**2(Rho)) -0.1445907E+00 Diamond 0.1060855E+01 Metallicity 0.4377217E+01 Ellipticity 0.9260677E-02 Gb(Abramov) 0.2018779E+00 Vb(Abramov) -0.2591651E+00 Hb(Abramov) -0.5728724E-01 Ex_ueg -0.5253877E-01 Ec_ueg -0.7663599E-02 Delta_ex -0.6086210E-01 Delta_ec 0.1504186E-01 Delta_et -0.1978721E+00 Pxc 0.6855626E+01 Qxc -0.4046181E+01 3,-1 178 3 -1 -2.010687 -0.851787 -2.986446 Rho 0.1414322E+00 |GRAD(Rho)| 0.2208478E-15 GRAD(Rho)x 0.1275293E-16 GRAD(Rho)y 0.1346715E-15 GRAD(Rho)z -0.1745701E-15 Laplacian 0.5561238E+00 (-1/4)Del**2(Rho)) -0.1390309E+00 Diamond 0.1054086E+01 Metallicity 0.4757247E+01 Ellipticity 0.3290638E-01 Gb(Abramov) 0.2029214E+00 Vb(Abramov) -0.2668118E+00 Hb(Abramov) -0.6389045E-01 Ex_ueg -0.5442306E-01 Ec_ueg -0.7897330E-02 Delta_ex -0.5891134E-01 Delta_ec 0.1439243E-01 Delta_et -0.1901365E+00 Pxc 0.6891324E+01 Qxc -0.4093216E+01 3,-1 179 3 -1 -0.029492 -0.002379 -2.905315 Rho 0.5453580E-02 |GRAD(Rho)| 0.7552453E-13 GRAD(Rho)x 0.7337320E-13 GRAD(Rho)y -0.1194723E-13 GRAD(Rho)z -0.1332638E-13 Laplacian 0.2188036E-01 (-1/4)Del**2(Rho)) -0.5470090E-02 Diamond 0.6600068E-03 Metallicity 0.5321428E+00 Ellipticity 0.2874453E+01 Gb(Abramov) 0.4131871E-02 Vb(Abramov) -0.2793653E-02 Hb(Abramov) 0.1338219E-02 Ex_ueg -0.7089691E-03 Ec_ueg -0.1664841E-03 Delta_ex -0.1177958E-02 Delta_ec 0.8168106E-03 Delta_et -0.4501930E-02 Pxc 0.4258479E+01 Qxc -0.1442143E+01 3,-1 180 3 -1 -0.566719 -1.797400 2.803324 Rho 0.1330808E+00 |GRAD(Rho)| 0.7917201E-15 GRAD(Rho)x 0.4655564E-15 GRAD(Rho)y -0.6361285E-15 GRAD(Rho)z -0.7361055E-16 Laplacian 0.5598610E+00 (-1/4)Del**2(Rho)) -0.1399652E+00 Diamond 0.9690985E+00 Metallicity 0.4269646E+01 Ellipticity 0.1587390E-01 Gb(Abramov) 0.1929105E+00 Vb(Abramov) -0.2458557E+00 Hb(Abramov) -0.5294525E-01 Ex_ueg -0.5018094E-01 Ec_ueg -0.7369404E-02 Delta_ex -0.5823641E-01 Delta_ec 0.1434406E-01 Delta_et -0.1870260E+00 Pxc 0.6809362E+01 Qxc -0.4059968E+01 3,-1 181 3 -1 2.810622 0.583999 1.786638 Rho 0.1545952E+00 |GRAD(Rho)| 0.4745816E-15 GRAD(Rho)x -0.6771520E-16 GRAD(Rho)y -0.3979157E-15 GRAD(Rho)z 0.2496104E-15 Laplacian 0.6469650E+00 (-1/4)Del**2(Rho)) -0.1617413E+00 Diamond 0.1330720E+01 Metallicity 0.4743066E+01 Ellipticity 0.3056267E-01 Gb(Abramov) 0.2356857E+00 Vb(Abramov) -0.3096302E+00 Hb(Abramov) -0.7394449E-01 Ex_ueg -0.6127921E-01 Ec_ueg -0.8738321E-02 Delta_ex -0.6972123E-01 Delta_ec 0.1580085E-01 Delta_et -0.2100254E+00 Pxc 0.7012699E+01 Qxc -0.4412500E+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 79 80 121 180 108 147 136 123 115 122 135 102 106 124 137 104 113 140 144 129 105 139 146 86 114 130 149 166 155 167 134 173 154 165 143 174 156 168 100 75 112 76 91 175 67 177 99 176 79 66 92 69 81 57 178 61 83 63 95 72 60 59 161 181 153 170 159 172 148 160 158 163 151 171 131 120 132 119 68 169 179 107 1 1 1 1 1 1 2 2 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 13 14 15 16 17 18 21 26 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 19 20 23 28 2.413486 1.934401 2.004883 1.891070 1.979141 1.714021 2.388493 1.933150 1.939144 1.945086 1.947218 1.723637 2.410818 1.900685 1.954879 1.935943 2.018852 1.713396 2.390039 1.917549 1.948315 1.937769 1.959153 1.724186 2.367898 1.957908 1.932276 1.954367 1.922003 1.724783 2.415107 2.022714 1.931640 1.962959 1.892473 1.713621 2.394773 1.946509 1.923049 1.955648 1.937085 1.723766 2.392184 1.945587 1.888274 1.988803 1.947117 1.724577 2.394052 1.928916 1.976814 1.911040 1.947045 1.723574 2.397065 1.926398 1.940854 1.938293 1.955307 1.723626 2.411643 1.876154 1.961994 1.946374 2.032320 1.714555 2.365588 1.918526 1.943217 1.938838 1.969369 1.724953 1.690838 1.699438 1.691615 1.697826 3.263892 3.258838 3.256925 3.259960 2.415094 1.934959 2.005540 1.891798 1.979987 1.714034 2.390179 1.933564 1.939538 1.945784 1.947896 1.723642 2.412436 1.901214 1.955389 1.936791 2.019644 1.713409 2.391745 1.918028 1.948722 1.938446 1.959831 1.724190 2.369640 1.958292 1.932692 1.955027 1.922671 1.724787 2.416697 2.023249 1.932201 1.963796 1.893176 1.713635 2.396500 1.946881 1.923522 1.956324 1.937776 1.723771 2.393866 1.945951 1.888712 1.989497 1.947802 1.724580 2.395826 1.929342 1.977212 1.911675 1.947723 1.723577 2.398814 1.926834 1.941281 1.938979 1.955987 1.723631 2.413211 1.876706 1.962483 1.947225 2.033113 1.714567 2.367288 1.918939 1.943611 1.939534 1.970029 1.724957 1.690841 1.699439 1.691617 1.697828 3.272621 3.268424 3.265858 3.274071 27 27 29 26 25 21 30 25 25 27 27 23 27 26 26 24 26 21 31 25 26 27 27 24 27 27 25 28 25 22 27 26 25 28 24 22 30 27 27 26 28 22 30 27 29 26 27 23 30 27 27 26 28 23 30 27 27 28 28 23 27 28 27 27 25 24 27 26 25 26 24 22 23 23 24 22 35 35 35 35 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 Mo W Mo W W Mo W W W 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 O O O O O O O O O O O O O O O O O As 2.3862 2.5313 2.3904 2.5194 2.5009 2.3846 2.5267 2.5264 2.5268 2.5262 2.3923 2.5029 -1.1350 -1.1421 -1.1353 -1.1430 -0.9488 -0.9498 -0.9500 -0.8892 -0.9510 -0.9203 -0.9103 -0.9184 -0.9208 -0.9212 -0.9165 -0.9505 -0.9063 -0.9441 -0.9066 -0.9459 -0.8748 -0.9040 -0.9451 -0.9442 -0.9470 -0.9447 -0.9076 -0.8743 -0.6570 -0.7350 -0.6549 -0.7352 -0.7353 -0.6556 -0.7351 -0.7382 -0.7341 -0.7347 -0.6593 -0.7357 2.5428 1.9332 2.0794 1.9309 2.0785 2.0855 1.9275 2.0791 2.0782 2.0784 2.0787 1.9249 2.0866 1.9385 1.9347 1.9383 1.9355 1.9349 1.9349 1.9346 1.9456 1.9345 1.9391 1.9409 1.9386 1.9387 1.9385 1.9394 1.9342 1.9521 1.9482 1.9515 1.9478 1.9542 1.9527 1.9477 1.9477 1.9477 1.9478 1.9511 1.9541 1.9862 1.9750 1.9868 1.9746 1.9749 1.9864 1.9750 1.9747 1.9750 1.9751 1.9861 1.9750 0.8009 6.0585 6.0774 6.0587 6.0767 6.0883 6.0567 6.0771 6.0771 6.0761 6.0772 6.0566 6.0879 5.1565 5.1676 5.1572 5.1676 4.9836 4.9847 4.9853 4.9168 4.9864 4.9528 4.9410 4.9517 4.9539 4.9542 4.9492 4.9860 4.9235 4.9630 4.9246 4.9654 4.8921 4.9209 4.9644 4.9637 4.9665 4.9642 4.9257 4.8912 4.6344 4.7215 4.6316 4.7222 4.7221 4.6328 4.7216 4.7252 4.7206 4.7212 4.6369 4.7224 1.1087 3.6221 3.2830 3.6199 3.2965 3.2964 3.6313 3.2883 3.2894 3.2899 3.2891 3.6262 3.2936 0.0400 0.0398 0.0399 0.0399 0.0304 0.0302 0.0301 0.0267 0.0301 0.0284 0.0284 0.0281 0.0282 0.0284 0.0279 0.0303 0.0306 0.0328 0.0306 0.0328 0.0284 0.0303 0.0329 0.0329 0.0329 0.0327 0.0308 0.0290 0.0363 0.0385 0.0364 0.0384 0.0383 0.0364 0.0384 0.0383 0.0385 0.0385 0.0362 0.0383 10.5476 0.0000 14.0289 0.0000 14.0289 14.0289 0.0000 14.0289 14.0289 14.0288 14.0289 0.0000 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Mo W Mo W W Mo W W W 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 O O O O O O O O O O O O O O O O O As 3.180318 2.523817 3.180769 2.521105 2.523014 3.179101 2.522555 2.519971 2.522255 2.522774 3.177290 2.522347 -1.174955 -1.102174 -1.175557 -1.101254 -0.939382 -0.941584 -0.938929 -1.156301 -0.942506 -1.047697 -1.058628 -1.055587 -1.050644 -1.037583 -1.053963 -0.941164 -1.016961 -0.909274 -1.011786 -0.910434 -1.116355 -1.017619 -0.909801 -0.909996 -0.911230 -0.909938 -1.008424 -1.118000 -0.922975 -0.758172 -0.919988 -0.758875 -0.757906 -0.920081 -0.758431 -0.761775 -0.757086 -0.757840 -0.923695 -0.758477 2.327709 2.377728 1.947963 2.378903 1.959064 1.956493 2.384771 1.953202 1.953040 1.956311 1.954096 2.383155 1.955535 -0.874635 -0.770548 -0.875365 -0.774467 -0.705048 -0.703938 -0.703192 -0.907258 -0.703831 -0.803318 -0.811376 -0.803462 -0.803849 -0.806808 -0.803311 -0.701188 -0.816975 -0.743464 -0.815212 -0.739487 -0.907782 -0.822733 -0.733395 -0.735916 -0.737307 -0.734552 -0.820663 -0.905137 -0.674637 -0.642376 -0.670309 -0.637453 -0.632719 -0.667795 -0.639926 -0.642613 -0.636961 -0.639180 -0.671875 -0.633389 1.693190 2.456245 2.043715 2.456699 2.055331 2.050827 2.462665 2.049599 2.048852 2.052257 2.051352 2.459957 2.049683 -0.891503 -0.819407 -0.892620 -0.821694 -0.783826 -0.782849 -0.786306 -0.977307 -0.783925 -0.879702 -0.885697 -0.884495 -0.879035 -0.880903 -0.887938 -0.780968 -0.859835 -0.773842 -0.852583 -0.773038 -0.939890 -0.865875 -0.762503 -0.766888 -0.770959 -0.764277 -0.857578 -0.936294 -0.635454 -0.610449 -0.628186 -0.606115 -0.594236 -0.628076 -0.608785 -0.611602 -0.605545 -0.606876 -0.630267 -0.594800 1.664946 1.54652847 1.33606847 0.56821920 2.12125018 -2.65433203 3.77478897 3.93329504 0.99426571 -6.99766698 1.66006632 -393.4217 414.8454 -93.3541 -371.3604 -10.3049 -453.5956 Jun10-2024 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:01 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.59539922 -16.66141748 -16.66542835 -16.66721864 -16.66777651 -16.66848365 -16.66863940 -16.66880827 -16.66891001 -16.66908887 -16.66915975 -16.66922602 -16.66929063 -16.66932217 -16.66933259 GEOMETRY CONVERGED