ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:53:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.75 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:53:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 2.11 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.35 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 2.16 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:15 Hydrogen (TZP) c3-12 c3-12 c3-12 c3-12 c3-12 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.29 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:54:15 Nodes: 1 Procs: 1 Jun20-2024 20:54:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:24 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2903.6250000000064 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun20-2024 20:54:06 1 1 Tantalum TZP 4d t21.W ADF 2019.304 Jun20-2024 20:54:18 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 20:54:13 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun20-2024 20:53:59 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 20:53:55 1 1 Hydrogen TZP 1 1 -17.43856938 0.24229796 0.00100000 F 0.09331910 0.00066667 F 0.24229796 0.09331910 0.12399316 0.01000000 F 0.03581336 0.00666667 F Cartesian 2903.6250000000064 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3.815614 0.209394 -3.792981 3.886362 -0.280787 -3.783053 -3.794849 0.203452 -3.817662 0.213894 -3.837083 -3.899565 -0.178554 3.816394 3.903419 0.175681 3.807171 3.833689 -0.212969 -3.826371 -0.000664 0.007605 -0.004224 -4.241629 3.786031 -1.144611 1 3 -3 0.107627 -2.587453 2.615029 Rho 0.3882646E+07 3,-3 2 3 -3 -0.085382 2.579819 2.634304 Rho 0.3882646E+07 3,-3 3 3 -3 -2.565357 -0.135262 -2.608962 Rho 0.3882646E+07 3,-3 4 3 -3 -2.575796 0.099549 2.642931 Rho 0.3882646E+07 3,-3 5 3 -3 2.585290 -0.118704 2.629705 Rho 0.3882646E+07 3,-3 6 3 -3 2.589482 0.101596 -2.578727 Rho 0.3882646E+07 3,-3 7 3 -3 -0.100150 -2.570339 -2.567265 Rho 0.4361414E+07 3,-3 8 3 -3 0.138555 2.555285 -2.592308 Rho 0.4361415E+07 3,-3 9 3 -3 2.587666 -2.577630 0.125797 Rho 0.4361415E+07 3,-3 10 3 -3 2.578550 2.556513 -0.077837 Rho 0.4361415E+07 3,-3 11 3 -3 -2.512701 2.520111 0.127962 Rho 0.4361413E+07 3,-3 12 3 -3 -2.582409 -2.548426 -0.080558 Rho 0.4361415E+07 3,-3 13 3 -3 0.968580 -0.950363 1.005538 Rho 0.3190315E+03 3,-3 14 3 -3 -0.984898 -0.973291 -0.988701 Rho 0.3190237E+03 3,-3 15 3 -3 0.983427 0.986411 -0.992179 Rho 0.3190209E+03 3,-3 16 3 -3 -1.012568 1.005371 0.957492 Rho 0.3189951E+03 3,-3 17 3 -3 -3.076155 -1.182674 1.130182 Rho 0.3188575E+03 3,-3 18 3 -3 3.035294 -1.211479 -1.165379 Rho 0.3188398E+03 3,-3 19 3 -3 -3.023266 1.223324 -1.145220 Rho 0.3189255E+03 3,-3 20 3 -3 3.076525 1.203913 1.133948 Rho 0.3188652E+03 3,-3 21 3 -3 1.132142 -1.200696 -3.068251 Rho 0.3188522E+03 3,-3 22 3 -3 1.237217 1.231657 3.129402 Rho 0.3188103E+03 3,-3 23 3 -3 -1.134842 1.211855 -3.052834 Rho 0.3188512E+03 3,-3 24 3 -3 -1.233946 -1.225082 3.126954 Rho 0.3188119E+03 3,-3 25 3 -3 -1.129576 2.988846 -1.127649 Rho 0.3188970E+03 3,-3 26 3 -3 -1.200268 -3.039466 1.117062 Rho 0.3188612E+03 3,-3 27 3 -3 1.177357 3.041484 1.112477 Rho 0.3188552E+03 3,-3 28 3 -3 1.142102 -3.009760 -1.162573 Rho 0.3188574E+03 3,-3 29 3 -3 3.473993 -1.572296 1.467183 Rho 0.3189132E+03 3,-3 30 3 -3 -3.453088 -1.553093 -1.522142 Rho 0.3188986E+03 3,-3 31 3 -3 3.444748 1.577521 -1.523526 Rho 0.3188984E+03 3,-3 32 3 -3 -3.454977 1.581858 1.453017 Rho 0.3189636E+03 3,-3 33 3 -3 1.566789 -1.572315 3.499067 Rho 0.3188566E+03 3,-3 34 3 -3 1.498532 1.577712 -3.492089 Rho 0.3189193E+03 3,-3 35 3 -3 -1.562733 1.574698 3.489839 Rho 0.3188528E+03 3,-3 36 3 -3 -1.492099 -1.573301 -3.487640 Rho 0.3188989E+03 3,-3 37 3 -3 -1.522379 -3.413666 -1.532721 Rho 0.3189231E+03 3,-3 38 3 -3 -1.570216 3.466715 1.448423 Rho 0.3189756E+03 3,-3 39 3 -3 1.546017 -3.466122 1.454185 Rho 0.3189105E+03 3,-3 40 3 -3 1.509515 3.428752 -1.532623 Rho 0.3189286E+03 3,-3 41 3 -3 -0.199181 -3.909075 3.786773 Rho 0.3191108E+03 3,-3 42 3 -3 0.228810 -3.831817 -3.736650 Rho 0.3192472E+03 3,-3 43 3 -3 -0.229139 3.830283 -3.734119 Rho 0.3192542E+03 3,-3 44 3 -3 0.206300 3.907804 3.799555 Rho 0.3191200E+03 3,-3 45 3 -3 3.770030 -3.813581 -0.253904 Rho 0.3192411E+03 3,-3 46 3 -3 3.765119 3.815614 0.209394 Rho 0.3192353E+03 3,-3 47 3 -3 -3.792981 3.886362 -0.280787 Rho 0.3186968E+03 3,-3 48 3 -3 -3.783053 -3.794849 0.203452 Rho 0.3192349E+03 3,-3 49 3 -3 -3.817662 0.213894 -3.837083 Rho 0.3191356E+03 3,-3 50 3 -3 -3.899565 -0.178554 3.816394 Rho 0.3191199E+03 3,-3 51 3 -3 3.903419 0.175681 3.807171 Rho 0.3191146E+03 3,-3 52 3 -3 3.833689 -0.212969 -3.826371 Rho 0.3191253E+03 3,-3 53 3 -3 -0.000664 0.007605 -0.004224 Rho 0.4276084E+05 3,-3 54 3 -3 -4.241629 3.786031 -1.144611 Rho 0.4608179E+00 3,-3 55 3 +1 -2.190134 -1.092650 -1.389449 Rho 0.2669304E-01 |GRAD(Rho)| 0.4669163E-09 GRAD(Rho)x 0.1222837E-09 GRAD(Rho)y -0.2761702E-09 GRAD(Rho)z 0.3560724E-09 Laplacian 0.1034277E+00 (-1/4)Del**2(Rho)) -0.2585693E-01 Diamond 0.1460996E-01 Metallicity 0.1588448E+01 Ellipticity -0.3916137E+01 Gb(Abramov) 0.2408335E-01 Vb(Abramov) -0.2230978E-01 Hb(Abramov) 0.1773579E-02 Ex_ueg -0.5891816E-02 Ec_ueg -0.1174328E-02 Delta_ex -0.6527098E-02 Delta_ec 0.1720518E-02 Delta_et -0.1543775E-01 Pxc 0.5017179E+01 Qxc -0.3793682E+01 3,+1 56 3 +1 0.020712 -0.016094 3.017157 Rho 0.4175520E-02 |GRAD(Rho)| 0.9795632E-17 GRAD(Rho)x 0.6881730E-17 GRAD(Rho)y 0.6952013E-17 GRAD(Rho)z -0.5154769E-18 Laplacian 0.1562723E-01 (-1/4)Del**2(Rho)) -0.3906808E-02 Diamond 0.2887556E-03 Metallicity 0.4774363E+00 Ellipticity -0.4102993E+01 Gb(Abramov) 0.2915414E-02 Vb(Abramov) -0.1924020E-02 Hb(Abramov) 0.9913939E-03 Ex_ueg -0.4965913E-03 Ec_ueg -0.1116064E-03 Delta_ex -0.7539553E-03 Delta_ec 0.4977557E-03 Delta_et -0.2558245E-02 Pxc 0.4449486E+01 Qxc -0.1514710E+01 3,+1 57 3 +1 -1.684208 0.525794 -0.588605 Rho 0.8512517E-02 |GRAD(Rho)| 0.1327278E-12 GRAD(Rho)x 0.6832177E-13 GRAD(Rho)y -0.9443095E-13 GRAD(Rho)z 0.6349482E-13 Laplacian 0.3337214E-01 (-1/4)Del**2(Rho)) -0.8343036E-02 Diamond 0.8843998E-03 Metallicity 0.7328117E+00 Ellipticity -0.1439791E+01 Gb(Abramov) 0.6581003E-02 Vb(Abramov) -0.4818970E-02 Hb(Abramov) 0.1762033E-02 Ex_ueg -0.1283697E-02 Ec_ueg -0.3010676E-03 Delta_ex -0.1522310E-02 Delta_ec 0.4725982E-03 Delta_et -0.3219261E-02 Pxc 0.4263815E+01 Qxc -0.3221150E+01 3,+1 58 3 -1 -4.138638 3.805545 -0.950384 Rho 0.3348230E+00 |GRAD(Rho)| 0.2412400E-13 GRAD(Rho)x 0.1298086E-13 GRAD(Rho)y 0.1973569E-13 GRAD(Rho)z 0.4895627E-14 Laplacian -0.1752985E+01 (-1/4)Del**2(Rho)) 0.4382463E+00 Diamond 0.6335662E+01 Metallicity -0.6346394E+01 Ellipticity 0.2102649E-02 Gb(Abramov) 0.1713831E+00 Vb(Abramov) -0.7810125E+00 Hb(Abramov) -0.6096294E+00 Ex_ueg -0.1717139E+00 Ec_ueg -0.2124123E-01 Delta_ex 0.1781475E+00 Delta_ec 0.6035526E-01 Delta_et -0.1462581E+01 Pxc 0.8083990E+01 Qxc 0.2951648E+01 3,-1 59 3 -1 -1.755366 0.538345 1.763373 Rho 0.3822274E-01 |GRAD(Rho)| 0.6613459E-14 GRAD(Rho)x -0.4787442E-14 GRAD(Rho)y -0.2991918E-14 GRAD(Rho)z 0.3444802E-14 Laplacian 0.1622746E+00 (-1/4)Del**2(Rho)) -0.4056864E-01 Diamond 0.6136294E-01 Metallicity 0.1841758E+01 Ellipticity 0.2584502E-01 Gb(Abramov) 0.3949870E-01 Vb(Abramov) -0.3842875E-01 Hb(Abramov) 0.1069947E-02 Ex_ueg -0.9509278E-02 Ec_ueg -0.1775044E-02 Delta_ex -0.1275516E-01 Delta_ec 0.5313905E-02 Delta_et -0.5220603E-01 Pxc 0.5357207E+01 Qxc -0.2400336E+01 3,-1 60 3 -1 -3.230737 -3.221525 0.071929 Rho 0.2336182E+00 |GRAD(Rho)| 0.6013416E-14 GRAD(Rho)x -0.4584224E-14 GRAD(Rho)y -0.6325778E-15 GRAD(Rho)z 0.3840041E-14 Laplacian 0.8538478E+00 (-1/4)Del**2(Rho)) -0.2134620E+00 Diamond 0.2923063E+01 Metallicity 0.7151717E+01 Ellipticity 0.2358848E-02 Gb(Abramov) 0.3967446E+00 Vb(Abramov) -0.5800272E+00 Hb(Abramov) -0.1832826E+00 Ex_ueg -0.1062659E+00 Ec_ueg -0.1399907E-01 Delta_ex -0.1024376E+00 Delta_ec 0.1900888E-01 Delta_et -0.2630234E+00 Pxc 0.7590924E+01 Qxc -0.5388934E+01 3,-1 61 3 +1 -1.707313 -0.519087 0.540625 Rho 0.8143386E-02 |GRAD(Rho)| 0.7729902E-17 GRAD(Rho)x 0.5439520E-17 GRAD(Rho)y 0.2735867E-18 GRAD(Rho)z -0.5485268E-17 Laplacian 0.3096450E-01 (-1/4)Del**2(Rho)) -0.7741126E-02 Diamond 0.7708081E-03 Metallicity 0.7335404E+00 Ellipticity -0.1454242E+01 Gb(Abramov) 0.6107155E-02 Vb(Abramov) -0.4473185E-02 Hb(Abramov) 0.1633971E-02 Ex_ueg -0.1210018E-02 Ec_ueg -0.2845965E-03 Delta_ex -0.1395959E-02 Delta_ec 0.4370307E-03 Delta_et -0.2944321E-02 Pxc 0.4251696E+01 Qxc -0.3194189E+01 3,+1 62 3 -1 -3.023302 -0.885395 -2.024055 Rho 0.1240848E+00 |GRAD(Rho)| 0.2154262E-15 GRAD(Rho)x 0.9679215E-16 GRAD(Rho)y 0.1361080E-15 GRAD(Rho)z -0.1360674E-15 Laplacian 0.5058663E+00 (-1/4)Del**2(Rho)) -0.1264666E+00 Diamond 0.8370006E+00 Metallicity 0.4205091E+01 Ellipticity 0.2287426E-01 Gb(Abramov) 0.1729449E+00 Vb(Abramov) -0.2194233E+00 Hb(Abramov) -0.4647837E-01 Ex_ueg -0.4570988E-01 Ec_ueg -0.6805850E-02 Delta_ex -0.5214762E-01 Delta_ec 0.1391327E-01 Delta_et -0.1806855E+00 Pxc 0.6716263E+01 Qxc -0.3748048E+01 3,-1 63 3 -1 -3.027942 -2.009625 -0.847845 Rho 0.1390423E+00 |GRAD(Rho)| 0.6353770E-15 GRAD(Rho)x 0.2589143E-15 GRAD(Rho)y 0.1632944E-15 GRAD(Rho)z 0.5567785E-15 Laplacian 0.5445004E+00 (-1/4)Del**2(Rho)) -0.1361251E+00 Diamond 0.1004207E+01 Metallicity 0.4722732E+01 Ellipticity 0.1984286E-01 Gb(Abramov) 0.1978971E+00 Vb(Abramov) -0.2596691E+00 Hb(Abramov) -0.6177202E-01 Ex_ueg -0.5320033E-01 Ec_ueg -0.7745797E-02 Delta_ex -0.5736493E-01 Delta_ec 0.1401369E-01 Delta_et -0.1843753E+00 Pxc 0.6868284E+01 Qxc -0.4093492E+01 3,-1 64 3 -1 -3.196281 3.231212 -0.111229 Rho 0.1535947E+00 |GRAD(Rho)| 0.2077871E-11 GRAD(Rho)x -0.1398202E-11 GRAD(Rho)y 0.1456447E-11 GRAD(Rho)z -0.4912646E-12 Laplacian 0.5795968E+00 (-1/4)Del**2(Rho)) -0.1448992E+00 Diamond 0.1237562E+01 Metallicity 0.5237384E+01 Ellipticity 0.1139579E+00 Gb(Abramov) 0.2230816E+00 Vb(Abramov) -0.3012640E+00 Hb(Abramov) -0.7818239E-01 Ex_ueg -0.6075101E-01 Ec_ueg -0.8674025E-02 Delta_ex -0.6288827E-01 Delta_ec 0.1512097E-01 Delta_et -0.2031423E+00 Pxc 0.7003786E+01 Qxc -0.4159011E+01 3,-1 65 3 +1 -2.007567 -1.991393 -2.026705 Rho 0.1203877E-01 |GRAD(Rho)| 0.2647832E-13 GRAD(Rho)x 0.1531635E-13 GRAD(Rho)y 0.1553247E-13 GRAD(Rho)z 0.1500843E-13 Laplacian 0.5426075E-01 (-1/4)Del**2(Rho)) -0.1356519E-01 Diamond 0.1547237E-02 Metallicity 0.8030894E+00 Ellipticity -0.1048567E+01 Gb(Abramov) 0.1085914E-01 Vb(Abramov) -0.8153083E-02 Hb(Abramov) 0.2706053E-02 Ex_ueg -0.2037797E-02 Ec_ueg -0.4613588E-03 Delta_ex -0.2486241E-02 Delta_ec 0.3772444E-03 Delta_et -0.3081840E-02 Pxc 0.4416946E+01 Qxc -0.6590531E+01 3,+1 66 3 -1 -2.768930 1.820970 -0.551896 Rho 0.1611263E+00 |GRAD(Rho)| 0.7420559E-12 GRAD(Rho)x 0.1834585E-12 GRAD(Rho)y 0.5143591E-12 GRAD(Rho)z 0.5024189E-12 Laplacian 0.6866840E+00 (-1/4)Del**2(Rho)) -0.1716710E+00 Diamond 0.1490377E+01 Metallicity 0.4787771E+01 Ellipticity 0.3432005E-01 Gb(Abramov) 0.2514342E+00 Vb(Abramov) -0.3311975E+00 Hb(Abramov) -0.7976325E-01 Ex_ueg -0.6475502E-01 Ec_ueg -0.9159517E-02 Delta_ex -0.7482217E-01 Delta_ec 0.1669119E-01 Delta_et -0.2232373E+00 Pxc 0.7069698E+01 Qxc -0.4482735E+01 3,-1 67 3 -1 -2.999919 2.005778 0.837863 Rho 0.1701831E+00 |GRAD(Rho)| 0.3338767E-15 GRAD(Rho)x -0.2399475E-15 GRAD(Rho)y -0.1647445E-15 GRAD(Rho)z 0.1635790E-15 Laplacian 0.6594172E+00 (-1/4)Del**2(Rho)) -0.1648543E+00 Diamond 0.1544046E+01 Metallicity 0.5461520E+01 Ellipticity 0.2382764E-01 Gb(Abramov) 0.2599620E+00 Vb(Abramov) -0.3550698E+00 Hb(Abramov) -0.9510773E-01 Ex_ueg -0.6965306E-01 Ec_ueg -0.9747805E-02 Delta_ex -0.7297319E-01 Delta_ec 0.1603877E-01 Delta_et -0.2165239E+00 Pxc 0.7145513E+01 Qxc -0.4549798E+01 3,-1 68 3 +1 -1.147243 1.370684 2.194064 Rho 0.2438687E-01 |GRAD(Rho)| 0.2530628E-16 GRAD(Rho)x -0.4065976E-17 GRAD(Rho)y -0.1229927E-16 GRAD(Rho)z -0.2173945E-16 Laplacian 0.9058368E-01 (-1/4)Del**2(Rho)) -0.2264592E-01 Diamond 0.1216424E-01 Metallicity 0.1560115E+01 Ellipticity -0.9011606E+01 Gb(Abramov) 0.2098565E-01 Vb(Abramov) -0.1932539E-01 Hb(Abramov) 0.1660267E-02 Ex_ueg -0.5223077E-02 Ec_ueg -0.1057894E-02 Delta_ex -0.5676869E-02 Delta_ec 0.1680444E-02 Delta_et -0.1470789E-01 Pxc 0.4937242E+01 Qxc -0.3378195E+01 3,+1 69 3 -1 -3.030749 0.879475 2.011922 Rho 0.9530225E-01 |GRAD(Rho)| 0.6945840E-14 GRAD(Rho)x 0.2677718E-14 GRAD(Rho)y -0.4464623E-14 GRAD(Rho)z 0.4598007E-14 Laplacian 0.4000077E+00 (-1/4)Del**2(Rho)) -0.1000019E+00 Diamond 0.4860913E+00 Metallicity 0.3425443E+01 Ellipticity 0.9259534E-02 Gb(Abramov) 0.1237598E+00 Vb(Abramov) -0.1475176E+00 Hb(Abramov) -0.2375783E-01 Ex_ueg -0.3215061E-01 Ec_ueg -0.5041368E-02 Delta_ex -0.3885275E-01 Delta_ec 0.1181481E-01 Delta_et -0.1459582E+00 Pxc 0.6377358E+01 Qxc -0.3288478E+01 3,-1 70 3 +3 -2.365753 -0.008345 -0.027497 Rho 0.4373736E-02 |GRAD(Rho)| 0.8715727E-17 GRAD(Rho)x -0.2271202E-17 GRAD(Rho)y 0.8129413E-17 GRAD(Rho)z -0.2172136E-17 Laplacian 0.1786426E-01 (-1/4)Del**2(Rho)) -0.4466066E-02 Diamond 0.1486615E-03 Metallicity 0.4512137E+00 Ellipticity -0.2636968E+00 Gb(Abramov) 0.3313236E-02 Vb(Abramov) -0.2160405E-02 Hb(Abramov) 0.1152830E-02 Ex_ueg -0.5282690E-03 Ec_ueg -0.1200624E-03 Delta_ex -0.6444912E-03 Delta_ec 0.1674331E-03 Delta_et -0.1035179E-02 Pxc 0.4399952E+01 Qxc -0.3849245E+01 3,+3 71 3 -1 -2.829174 -0.579101 1.841323 Rho 0.1058189E+00 |GRAD(Rho)| 0.5335966E-13 GRAD(Rho)x 0.3577417E-14 GRAD(Rho)y 0.3528418E-13 GRAD(Rho)z 0.3986831E-13 Laplacian 0.4586619E+00 (-1/4)Del**2(Rho)) -0.1146655E+00 Diamond 0.6315542E+00 Metallicity 0.3556799E+01 Ellipticity 0.2015272E-01 Gb(Abramov) 0.1444173E+00 Vb(Abramov) -0.1741692E+00 Hb(Abramov) -0.2975186E-01 Ex_ueg -0.3696603E-01 Ec_ueg -0.5678870E-02 Delta_ex -0.4562332E-01 Delta_ec 0.1322024E-01 Delta_et -0.1668369E+00 Pxc 0.6509399E+01 Qxc -0.3451021E+01 3,-1 72 3 +1 -2.976357 -0.124220 -0.163421 Rho 0.5076337E-02 |GRAD(Rho)| 0.4240754E-16 GRAD(Rho)x -0.5795659E-17 GRAD(Rho)y 0.4188782E-16 GRAD(Rho)z -0.3196986E-17 Laplacian 0.2034319E-01 (-1/4)Del**2(Rho)) -0.5085798E-02 Diamond 0.4736989E-03 Metallicity 0.5078999E+00 Ellipticity -0.3084352E+01 Gb(Abramov) 0.3821045E-02 Vb(Abramov) -0.2556291E-02 Hb(Abramov) 0.1264753E-02 Ex_ueg -0.6443457E-03 Ec_ueg -0.1501994E-03 Delta_ex -0.1004881E-02 Delta_ec 0.6235838E-03 Delta_et -0.3408891E-02 Pxc 0.4289937E+01 Qxc -0.1611462E+01 3,+1 73 3 -1 -3.238519 0.051473 -3.269034 Rho 0.2134349E+00 |GRAD(Rho)| 0.1178873E-14 GRAD(Rho)x -0.5697482E-15 GRAD(Rho)y 0.1836910E-15 GRAD(Rho)z -0.1015572E-14 Laplacian 0.8046810E+00 (-1/4)Del**2(Rho)) -0.2011703E+00 Diamond 0.2466562E+01 Metallicity 0.6527772E+01 Ellipticity 0.2927561E-02 Gb(Abramov) 0.3529791E+00 Vb(Abramov) -0.5047879E+00 Hb(Abramov) -0.1518088E+00 Ex_ueg -0.9420461E-01 Ec_ueg -0.1262210E-01 Delta_ex -0.9427804E-01 Delta_ec 0.1833531E-01 Delta_et -0.2523114E+00 Pxc 0.7463463E+01 Qxc -0.5141884E+01 3,-1 74 3 -1 -2.797327 0.582823 -1.835319 Rho 0.1054883E+00 |GRAD(Rho)| 0.4110324E-15 GRAD(Rho)x -0.1176088E-15 GRAD(Rho)y 0.2710776E-15 GRAD(Rho)z 0.2857144E-15 Laplacian 0.4523839E+00 (-1/4)Del**2(Rho)) -0.1130960E+00 Diamond 0.6261656E+00 Metallicity 0.3587403E+01 Ellipticity 0.8258767E-02 Gb(Abramov) 0.1430175E+00 Vb(Abramov) -0.1729389E+00 Hb(Abramov) -0.2992148E-01 Ex_ueg -0.3681214E-01 Ec_ueg -0.5658699E-02 Delta_ex -0.4505541E-01 Delta_ec 0.1320753E-01 Delta_et -0.1667761E+00 Pxc 0.6505406E+01 Qxc -0.3411343E+01 3,-1 75 3 -1 -3.287383 -0.049203 3.273890 Rho 0.2123902E+00 |GRAD(Rho)| 0.1851431E-12 GRAD(Rho)x 0.1368155E-12 GRAD(Rho)y 0.2894553E-13 GRAD(Rho)z -0.1213328E-12 Laplacian 0.7918578E+00 (-1/4)Del**2(Rho)) -0.1979645E+00 Diamond 0.2419232E+01 Metallicity 0.6579456E+01 Ellipticity 0.2588596E-02 Gb(Abramov) 0.3490594E+00 Vb(Abramov) -0.5001543E+00 Hb(Abramov) -0.1510949E+00 Ex_ueg -0.9359033E-01 Ec_ueg -0.1255144E-01 Delta_ex -0.9269762E-01 Delta_ec 0.1813804E-01 Delta_et -0.2497838E+00 Pxc 0.7456538E+01 Qxc -0.5110674E+01 3,-1 76 3 -1 -2.010648 -2.989144 -0.850046 Rho 0.1259501E+00 |GRAD(Rho)| 0.1271317E-13 GRAD(Rho)x -0.9009530E-14 GRAD(Rho)y -0.6727217E-14 GRAD(Rho)z 0.5932754E-14 Laplacian 0.4914315E+00 (-1/4)Del**2(Rho)) -0.1228579E+00 Diamond 0.8083321E+00 Metallicity 0.4437598E+01 Ellipticity 0.2577215E-01 Gb(Abramov) 0.1727709E+00 Vb(Abramov) -0.2226839E+00 Hb(Abramov) -0.4991302E-01 Ex_ueg -0.4662834E-01 Ec_ueg -0.6922257E-02 Delta_ex -0.5059456E-01 Delta_ec 0.1303165E-01 Delta_et -0.1689283E+00 Pxc 0.6736003E+01 Qxc -0.3882438E+01 3,-1 77 3 +3 -1.970436 -1.952662 -1.989193 Rho 0.1203527E-01 |GRAD(Rho)| 0.1797738E-14 GRAD(Rho)x 0.1040419E-14 GRAD(Rho)y 0.1053399E-14 GRAD(Rho)z 0.1019677E-14 Laplacian 0.5404028E-01 (-1/4)Del**2(Rho)) -0.1351007E-01 Diamond 0.1387576E-02 Metallicity 0.8059762E+00 Ellipticity -0.9430756E+00 Gb(Abramov) 0.1082151E-01 Vb(Abramov) -0.8132955E-02 Hb(Abramov) 0.2688558E-02 Ex_ueg -0.2037009E-02 Ec_ueg -0.4611976E-03 Delta_ex -0.2431966E-02 Delta_ec 0.2972069E-03 Delta_et -0.2540314E-02 Pxc 0.4416782E+01 Qxc -0.8182736E+01 3,+3 78 3 +1 -0.145390 -0.133411 -2.976905 Rho 0.5232130E-02 |GRAD(Rho)| 0.3302072E-14 GRAD(Rho)x -0.2366268E-14 GRAD(Rho)y -0.2295341E-14 GRAD(Rho)z -0.1893762E-15 Laplacian 0.2060669E-01 (-1/4)Del**2(Rho)) -0.5151672E-02 Diamond 0.4995574E-03 Metallicity 0.5273139E+00 Ellipticity -0.3707699E+01 Gb(Abramov) 0.3887206E-02 Vb(Abramov) -0.2622740E-02 Hb(Abramov) 0.1264466E-02 Ex_ueg -0.6708465E-03 Ec_ueg -0.1569160E-03 Delta_ex -0.1023773E-02 Delta_ec 0.6313722E-03 Delta_et -0.3482954E-02 Pxc 0.4275196E+01 Qxc -0.1621505E+01 3,+1 79 3 +3 -1.126623 -1.088428 1.173110 Rho 0.4720566E-02 |GRAD(Rho)| 0.5367700E-12 GRAD(Rho)x -0.5361257E-12 GRAD(Rho)y -0.2456042E-13 GRAD(Rho)z -0.9378535E-14 Laplacian 0.1741112E-01 (-1/4)Del**2(Rho)) -0.4352781E-02 Diamond 0.1110113E-03 Metallicity 0.5257465E+00 Ellipticity -0.1064506E-01 Gb(Abramov) 0.3283264E-02 Vb(Abramov) -0.2213747E-02 Hb(Abramov) 0.1069517E-02 Ex_ueg -0.5848490E-03 Ec_ueg -0.1349075E-03 Delta_ex -0.5906586E-03 Delta_ec 0.7424456E-04 Delta_et -0.5890843E-03 Pxc 0.4335186E+01 Qxc -0.7955581E+01 3,+3 80 3 +1 -1.801356 -1.779164 1.791108 Rho 0.1132442E-01 |GRAD(Rho)| 0.2296351E-14 GRAD(Rho)x -0.1950462E-14 GRAD(Rho)y 0.8060230E-15 GRAD(Rho)z -0.9051271E-15 Laplacian 0.5327697E-01 (-1/4)Del**2(Rho)) -0.1331924E-01 Diamond 0.1891549E-02 Metallicity 0.7386418E+00 Ellipticity -0.1256279E+01 Gb(Abramov) 0.1051919E-01 Vb(Abramov) -0.7719130E-02 Hb(Abramov) 0.2800056E-02 Ex_ueg -0.1878192E-02 Ec_ueg -0.4284726E-03 Delta_ex -0.2554109E-02 Delta_ec 0.6468000E-03 Delta_et -0.4816889E-02 Pxc 0.4383458E+01 Qxc -0.3948839E+01 3,+1 81 3 -1 -1.859209 -0.604814 2.890153 Rho 0.1372864E+00 |GRAD(Rho)| 0.2476609E-15 GRAD(Rho)x 0.8809143E-17 GRAD(Rho)y -0.2325343E-15 GRAD(Rho)z 0.8477106E-16 Laplacian 0.5788201E+00 (-1/4)Del**2(Rho)) -0.1447050E+00 Diamond 0.1077937E+01 Metallicity 0.4349592E+01 Ellipticity 0.1683708E-01 Gb(Abramov) 0.2013713E+00 Vb(Abramov) -0.2580376E+00 Hb(Abramov) -0.5666630E-01 Ex_ueg -0.5230641E-01 Ec_ueg -0.7634694E-02 Delta_ex -0.6109062E-01 Delta_ec 0.1547566E-01 Delta_et -0.2043004E+00 Pxc 0.6851147E+01 Qxc -0.3947528E+01 3,-1 82 3 -1 -1.988263 -0.896264 -3.061769 Rho 0.1227305E+00 |GRAD(Rho)| 0.2896054E-09 GRAD(Rho)x 0.1581207E-09 GRAD(Rho)y -0.2084981E-09 GRAD(Rho)z -0.1240872E-09 Laplacian 0.5014023E+00 (-1/4)Del**2(Rho)) -0.1253506E+00 Diamond 0.8197281E+00 Metallicity 0.4165632E+01 Ellipticity 0.2262157E-01 Gb(Abramov) 0.1705945E+00 Vb(Abramov) -0.2158383E+00 Hb(Abramov) -0.4524388E-01 Ex_ueg -0.4504587E-01 Ec_ueg -0.6721478E-02 Delta_ex -0.5156575E-01 Delta_ec 0.1384856E-01 Delta_et -0.1795340E+00 Pxc 0.6701781E+01 Qxc -0.3723546E+01 3,-1 83 3 +1 -0.605067 -0.533766 1.719732 Rho 0.7241576E-02 |GRAD(Rho)| 0.4745269E-14 GRAD(Rho)x -0.3330906E-14 GRAD(Rho)y 0.3373184E-14 GRAD(Rho)z -0.2104124E-15 Laplacian 0.2647863E-01 (-1/4)Del**2(Rho)) -0.6619656E-02 Diamond 0.5542001E-03 Metallicity 0.7054067E+00 Ellipticity -0.1434725E+01 Gb(Abramov) 0.5191363E-02 Vb(Abramov) -0.3763069E-02 Hb(Abramov) 0.1428294E-02 Ex_ueg -0.1034735E-02 Ec_ueg -0.2446167E-03 Delta_ex -0.1154820E-02 Delta_ec 0.3659747E-03 Delta_et -0.2398296E-02 Pxc 0.4230026E+01 Qxc -0.3155464E+01 3,+1 84 3 -1 -1.734836 -0.538055 -1.758447 Rho 0.4365032E-01 |GRAD(Rho)| 0.6876206E-16 GRAD(Rho)x 0.3816942E-16 GRAD(Rho)y -0.1671937E-16 GRAD(Rho)z 0.5469715E-16 Laplacian 0.1880932E+00 (-1/4)Del**2(Rho)) -0.4702329E-01 Diamond 0.8515026E-01 Metallicity 0.1982528E+01 Ellipticity 0.1625583E-01 Gb(Abramov) 0.4688635E-01 Vb(Abramov) -0.4674942E-01 Hb(Abramov) 0.1369337E-03 Ex_ueg -0.1135102E-01 Ec_ueg -0.2067016E-02 Delta_ex -0.1526799E-01 Delta_ec 0.6151885E-02 Delta_et -0.6268276E-01 Pxc 0.5491501E+01 Qxc -0.2481839E+01 3,-1 85 3 -1 -1.805432 0.578667 -2.832139 Rho 0.1144634E+00 |GRAD(Rho)| 0.1533872E-13 GRAD(Rho)x 0.1305561E-13 GRAD(Rho)y 0.9023002E-15 GRAD(Rho)z 0.8000833E-14 Laplacian 0.4963315E+00 (-1/4)Del**2(Rho)) -0.1240829E+00 Diamond 0.7501047E+00 Metallicity 0.3746441E+01 Ellipticity 0.1449768E-01 Gb(Abramov) 0.1602001E+00 Vb(Abramov) -0.1963173E+00 Hb(Abramov) -0.3611723E-01 Ex_ueg -0.4104628E-01 Ec_ueg -0.6209229E-02 Delta_ex -0.5026713E-01 Delta_ec 0.1402982E-01 Delta_et -0.1797296E+00 Pxc 0.6610527E+01 Qxc -0.3582878E+01 3,-1 86 3 +1 -0.536056 -1.670045 0.556060 Rho 0.8300049E-02 |GRAD(Rho)| 0.2394675E-12 GRAD(Rho)x 0.2083405E-12 GRAD(Rho)y -0.1053033E-12 GRAD(Rho)z -0.5338651E-13 Laplacian 0.3164918E-01 (-1/4)Del**2(Rho)) -0.7912295E-02 Diamond 0.8206709E-03 Metallicity 0.7408298E+00 Ellipticity -0.1476821E+01 Gb(Abramov) 0.6251807E-02 Vb(Abramov) -0.4591320E-02 Hb(Abramov) 0.1660488E-02 Ex_ueg -0.1241155E-02 Ec_ueg -0.2915795E-03 Delta_ex -0.1439412E-02 Delta_ec 0.4569042E-03 Delta_et -0.3085027E-02 Pxc 0.4256659E+01 Qxc -0.3150358E+01 3,+1 87 3 +3 -1.120286 1.082159 -1.161394 Rho 0.5141869E-02 |GRAD(Rho)| 0.1031748E-13 GRAD(Rho)x -0.9630483E-14 GRAD(Rho)y 0.2179173E-14 GRAD(Rho)z -0.2992564E-14 Laplacian 0.2001797E-01 (-1/4)Del**2(Rho)) -0.5004491E-02 Diamond 0.1448333E-03 Metallicity 0.5273046E+00 Ellipticity -0.1311283E+00 Gb(Abramov) 0.3776143E-02 Vb(Abramov) -0.2547794E-02 Hb(Abramov) 0.1228349E-02 Ex_ueg -0.6554603E-03 Ec_ueg -0.1530231E-03 Delta_ex -0.6966273E-03 Delta_ec 0.8750659E-04 Delta_et -0.6980167E-03 Pxc 0.4283408E+01 Qxc -0.7960855E+01 3,+3 88 3 +1 -1.323950 -2.169230 -1.149638 Rho 0.2796392E-01 |GRAD(Rho)| 0.2755462E-16 GRAD(Rho)x 0.1696828E-16 GRAD(Rho)y 0.2131320E-16 GRAD(Rho)z -0.4133026E-17 Laplacian 0.1137027E+00 (-1/4)Del**2(Rho)) -0.2842569E-01 Diamond 0.1870989E-01 Metallicity 0.1561369E+01 Ellipticity -0.7075873E+01 Gb(Abramov) 0.2634762E-01 Vb(Abramov) -0.2426956E-01 Hb(Abramov) 0.2078065E-02 Ex_ueg -0.6268771E-02 Ec_ueg -0.1239070E-02 Delta_ex -0.7414285E-02 Delta_ec 0.2156173E-02 Delta_et -0.1952323E-01 Pxc 0.5059255E+01 Qxc -0.3438631E+01 3,+1 89 3 -1 -2.030645 0.882169 3.079728 Rho 0.1290918E+00 |GRAD(Rho)| 0.7003187E-14 GRAD(Rho)x -0.4368359E-14 GRAD(Rho)y -0.4376084E-14 GRAD(Rho)z 0.3288155E-14 Laplacian 0.5212628E+00 (-1/4)Del**2(Rho)) -0.1303157E+00 Diamond 0.9006044E+00 Metallicity 0.4359010E+01 Ellipticity 0.8473523E-02 Gb(Abramov) 0.1815517E+00 Vb(Abramov) -0.2327877E+00 Hb(Abramov) -0.5123599E-01 Ex_ueg -0.4818555E-01 Ec_ueg -0.7118850E-02 Delta_ex -0.5419673E-01 Delta_ec 0.1412095E-01 Delta_et -0.1844947E+00 Pxc 0.6768727E+01 Qxc -0.3838037E+01 3,-1 90 3 +3 -0.035033 0.040534 2.432033 Rho 0.3695957E-02 |GRAD(Rho)| 0.1467688E-12 GRAD(Rho)x -0.1375090E-12 GRAD(Rho)y -0.4235743E-13 GRAD(Rho)z 0.2895158E-13 Laplacian 0.1408128E-01 (-1/4)Del**2(Rho)) -0.3520319E-02 Diamond 0.9171769E-04 Metallicity 0.4323638E+00 Ellipticity -0.1449691E+00 Gb(Abramov) 0.2600556E-02 Vb(Abramov) -0.1680792E-02 Hb(Abramov) 0.9197633E-03 Ex_ueg -0.4220406E-03 Ec_ueg -0.9123350E-04 Delta_ex -0.4847448E-03 Delta_ec 0.1281044E-03 Delta_et -0.7655187E-03 Pxc 0.4625939E+01 Qxc -0.3783984E+01 3,+3 91 3 +1 -2.202977 0.986112 1.498137 Rho 0.2536808E-01 |GRAD(Rho)| 0.3495871E-14 GRAD(Rho)x 0.1144073E-14 GRAD(Rho)y -0.2500395E-14 GRAD(Rho)z 0.2158758E-14 Laplacian 0.9943252E-01 (-1/4)Del**2(Rho)) -0.2485813E-01 Diamond 0.1003198E-01 Metallicity 0.1517856E+01 Ellipticity -0.1811577E+01 Gb(Abramov) 0.2286060E-01 Vb(Abramov) -0.2086307E-01 Hb(Abramov) 0.1997532E-02 Ex_ueg -0.5505142E-02 Ec_ueg -0.1107264E-02 Delta_ex -0.5863592E-02 Delta_ec 0.1071733E-02 Delta_et -0.9630595E-02 Pxc 0.4971841E+01 Qxc -0.5471130E+01 3,+1 92 3 -1 -1.728311 1.731214 0.529734 Rho 0.5977250E-01 |GRAD(Rho)| 0.8449194E-16 GRAD(Rho)x 0.5404070E-17 GRAD(Rho)y 0.7909594E-16 GRAD(Rho)z -0.2921501E-16 Laplacian 0.2406301E+00 (-1/4)Del**2(Rho)) -0.6015753E-01 Diamond 0.1515308E+00 Metallicity 0.2616770E+01 Ellipticity 0.9801675E-02 Gb(Abramov) 0.6634142E-01 Vb(Abramov) -0.7252532E-01 Hb(Abramov) -0.6183896E-02 Ex_ueg -0.1726051E-01 Ec_ueg -0.2961785E-02 Delta_ex -0.2058909E-01 Delta_ec 0.6920024E-02 Delta_et -0.7629091E-01 Pxc 0.5827740E+01 Qxc -0.2975292E+01 3,-1 93 3 -1 -1.840252 -2.797238 0.558258 Rho 0.1589701E+00 |GRAD(Rho)| 0.2198268E-12 GRAD(Rho)x -0.1702590E-12 GRAD(Rho)y 0.3952991E-13 GRAD(Rho)z -0.1333157E-12 Laplacian 0.6569699E+00 (-1/4)Del**2(Rho)) -0.1642425E+00 Diamond 0.1415336E+01 Metallicity 0.4893204E+01 Ellipticity 0.1091349E-01 Gb(Abramov) 0.2434403E+00 Vb(Abramov) -0.3226381E+00 Hb(Abramov) -0.7919782E-01 Ex_ueg -0.6360221E-01 Ec_ueg -0.9020178E-02 Delta_ex -0.7145834E-01 Delta_ec 0.1622721E-01 Delta_et -0.2172008E+00 Pxc 0.7051103E+01 Qxc -0.4403612E+01 3,-1 94 3 -1 -1.749463 -1.726032 -0.526155 Rho 0.4385412E-01 |GRAD(Rho)| 0.3244519E-15 GRAD(Rho)x 0.3058636E-17 GRAD(Rho)y 0.3190282E-15 GRAD(Rho)z 0.5899754E-16 Laplacian 0.1767004E+00 (-1/4)Del**2(Rho)) -0.4417511E-01 Diamond 0.7413118E-01 Metallicity 0.2126798E+01 Ellipticity 0.1565052E-01 Gb(Abramov) 0.4510866E-01 Vb(Abramov) -0.4604221E-01 Hb(Abramov) -0.9335516E-03 Ex_ueg -0.1142174E-01 Ec_ueg -0.2078080E-02 Delta_ex -0.1403259E-01 Delta_ec 0.5195330E-02 Delta_et -0.5290772E-01 Pxc 0.5496295E+01 Qxc -0.2701000E+01 3,-1 95 3 +1 -1.749802 1.760740 -1.778278 Rho 0.1215018E-01 |GRAD(Rho)| 0.5519143E-14 GRAD(Rho)x 0.3502127E-14 GRAD(Rho)y 0.4177031E-14 GRAD(Rho)z 0.8651314E-15 Laplacian 0.5945684E-01 (-1/4)Del**2(Rho)) -0.1486421E-01 Diamond 0.2361646E-02 Metallicity 0.7442452E+00 Ellipticity -0.1257204E+01 Gb(Abramov) 0.1175324E-01 Vb(Abramov) -0.8642276E-02 Hb(Abramov) 0.3110967E-02 Ex_ueg -0.2062982E-02 Ec_ueg -0.4665064E-03 Delta_ex -0.2914613E-02 Delta_ec 0.7403938E-03 Delta_et -0.5592559E-02 Pxc 0.4422195E+01 Qxc -0.3936571E+01 3,+1 96 3 +1 0.532676 0.619310 1.720226 Rho 0.7238873E-02 |GRAD(Rho)| 0.5130080E-13 GRAD(Rho)x -0.1577643E-13 GRAD(Rho)y -0.1891088E-13 GRAD(Rho)z -0.4500284E-13 Laplacian 0.2645204E-01 (-1/4)Del**2(Rho)) -0.6613011E-02 Diamond 0.5521311E-03 Metallicity 0.7056763E+00 Ellipticity -0.1432624E+01 Gb(Abramov) 0.5186448E-02 Vb(Abramov) -0.3759885E-02 Hb(Abramov) 0.1426563E-02 Ex_ueg -0.1034220E-02 Ec_ueg -0.2444975E-03 Delta_ex -0.1152855E-02 Delta_ec 0.3643607E-03 Delta_et -0.2388568E-02 Pxc 0.4229983E+01 Qxc -0.3164048E+01 3,+1 97 3 +3 1.123604 -1.100598 -1.132201 Rho 0.4973833E-02 |GRAD(Rho)| 0.1288793E-12 GRAD(Rho)x 0.7303516E-13 GRAD(Rho)y 0.1043650E-12 GRAD(Rho)z -0.1958831E-13 Laplacian 0.1891649E-01 (-1/4)Del**2(Rho)) -0.4729123E-02 Diamond 0.1310940E-03 Metallicity 0.5279481E+00 Ellipticity -0.1104917E+00 Gb(Abramov) 0.3568871E-02 Vb(Abramov) -0.2408618E-02 Hb(Abramov) 0.1160253E-02 Ex_ueg -0.6270565E-03 Ec_ueg -0.1457869E-03 Delta_ex -0.6525443E-03 Delta_ec 0.8322849E-04 Delta_et -0.6585871E-03 Pxc 0.4301185E+01 Qxc -0.7840395E+01 3,+3 98 3 -1 -1.995980 3.009666 0.834581 Rho 0.1691190E+00 |GRAD(Rho)| 0.2226922E-15 GRAD(Rho)x 0.8722406E-16 GRAD(Rho)y -0.5074066E-16 GRAD(Rho)z -0.1985174E-15 Laplacian 0.6750985E+00 (-1/4)Del**2(Rho)) -0.1687746E+00 Diamond 0.1557326E+01 Metallicity 0.5279182E+01 Ellipticity 0.1527243E-01 Gb(Abramov) 0.2610151E+00 Vb(Abramov) -0.3532555E+00 Hb(Abramov) -0.9224044E-01 Ex_ueg -0.6907298E-01 Ec_ueg -0.9678436E-02 Delta_ex -0.7449307E-01 Delta_ec 0.1627147E-01 Delta_et -0.2190234E+00 Pxc 0.7136791E+01 Qxc -0.4578140E+01 3,-1 99 3 -1 -1.770804 2.750982 -0.541866 Rho 0.1458957E+00 |GRAD(Rho)| 0.3776136E-15 GRAD(Rho)x -0.3470531E-15 GRAD(Rho)y 0.2078958E-16 GRAD(Rho)z 0.1473566E-15 Laplacian 0.6129743E+00 (-1/4)Del**2(Rho)) -0.1532436E+00 Diamond 0.1186423E+01 Metallicity 0.4545430E+01 Ellipticity 0.2413196E-01 Gb(Abramov) 0.2182554E+00 Vb(Abramov) -0.2832671E+00 Hb(Abramov) -0.6501178E-01 Ex_ueg -0.5672506E-01 Ec_ueg -0.8181298E-02 Delta_ex -0.6522543E-01 Delta_ec 0.1538180E-01 Delta_et -0.2033445E+00 Pxc 0.6933504E+01 Qxc -0.4240429E+01 3,-1 100 3 +1 -0.200625 2.957184 0.224498 Rho 0.5859055E-02 |GRAD(Rho)| 0.4854708E-17 GRAD(Rho)x 0.2936146E-17 GRAD(Rho)y -0.1937391E-17 GRAD(Rho)z 0.3345706E-17 Laplacian 0.2406077E-01 (-1/4)Del**2(Rho)) -0.6015193E-02 Diamond 0.5972803E-03 Metallicity 0.5453596E+00 Ellipticity -0.2030578E+01 Gb(Abramov) 0.4556869E-02 Vb(Abramov) -0.3098545E-02 Hb(Abramov) 0.1458324E-02 Ex_ueg -0.7801088E-03 Ec_ueg -0.1840667E-03 Delta_ex -0.1160840E-02 Delta_ec 0.6272339E-03 Delta_et -0.3623880E-02 Pxc 0.4238185E+01 Qxc -0.1850729E+01 3,+1 101 3 +3 0.022689 2.294919 0.004820 Rho 0.4864647E-02 |GRAD(Rho)| 0.1464783E-13 GRAD(Rho)x -0.1163759E-13 GRAD(Rho)y -0.7676244E-14 GRAD(Rho)z -0.4494511E-14 Laplacian 0.2017160E-01 (-1/4)Del**2(Rho)) -0.5042899E-02 Diamond 0.1812323E-03 Metallicity 0.4771173E+00 Ellipticity -0.3328470E+00 Gb(Abramov) 0.3762942E-02 Vb(Abramov) -0.2482984E-02 Hb(Abramov) 0.1279957E-02 Ex_ueg -0.6087704E-03 Ec_ueg -0.1410927E-03 Delta_ex -0.7355150E-03 Delta_ec 0.1672109E-03 Delta_et -0.1090398E-02 Pxc 0.4314685E+01 Qxc -0.4398726E+01 3,+3 102 3 +1 -0.548694 0.540731 -1.693609 Rho 0.8353810E-02 |GRAD(Rho)| 0.2169867E-16 GRAD(Rho)x -0.1371044E-16 GRAD(Rho)y 0.2202344E-17 GRAD(Rho)z -0.1667351E-16 Laplacian 0.3189549E-01 (-1/4)Del**2(Rho)) -0.7973871E-02 Diamond 0.8168975E-03 Metallicity 0.7430618E+00 Ellipticity -0.1453033E+01 Gb(Abramov) 0.6303427E-02 Vb(Abramov) -0.4632984E-02 Hb(Abramov) 0.1670444E-02 Ex_ueg -0.1251885E-02 Ec_ueg -0.2939784E-03 Delta_ex -0.1444789E-02 Delta_ec 0.4458561E-03 Delta_et -0.3027142E-02 Pxc 0.4258426E+01 Qxc -0.3240483E+01 3,+1 103 3 +1 1.696552 0.551879 0.551681 Rho 0.8088553E-02 |GRAD(Rho)| 0.1079344E-16 GRAD(Rho)x -0.4523480E-17 GRAD(Rho)y 0.4322222E-17 GRAD(Rho)z -0.8795165E-17 Laplacian 0.3078215E-01 (-1/4)Del**2(Rho)) -0.7695539E-02 Diamond 0.7632089E-03 Metallicity 0.7296236E+00 Ellipticity -0.1456452E+01 Gb(Abramov) 0.6066167E-02 Vb(Abramov) -0.4436795E-02 Hb(Abramov) 0.1629372E-02 Ex_ueg -0.1199166E-02 Ec_ueg -0.2821550E-03 Delta_ex -0.1387315E-02 Delta_ec 0.4379118E-03 Delta_et -0.2942264E-02 Pxc 0.4250028E+01 Qxc -0.3168024E+01 3,+1 104 3 +1 1.759786 -1.767440 -1.788043 Rho 0.1200042E-01 |GRAD(Rho)| 0.1343632E-13 GRAD(Rho)x 0.1147037E-13 GRAD(Rho)y 0.5036373E-14 GRAD(Rho)z 0.4858013E-14 Laplacian 0.5842851E-01 (-1/4)Del**2(Rho)) -0.1460713E-01 Diamond 0.2268874E-02 Metallicity 0.7418497E+00 Ellipticity -0.1249146E+01 Gb(Abramov) 0.1154413E-01 Vb(Abramov) -0.8481140E-02 Hb(Abramov) 0.3062994E-02 Ex_ueg -0.2029148E-02 Ec_ueg -0.4595885E-03 Delta_ex -0.2851101E-02 Delta_ec 0.7210080E-03 Delta_et -0.5435140E-02 Pxc 0.4415141E+01 Qxc -0.3954327E+01 3,+1 105 3 -1 -0.474513 -0.464876 -0.478699 Rho 0.1840916E+00 |GRAD(Rho)| 0.1851853E-15 GRAD(Rho)x 0.3469447E-17 GRAD(Rho)y 0.1804112E-15 GRAD(Rho)z 0.4163336E-16 Laplacian 0.4963259E+00 (-1/4)Del**2(Rho)) -0.1240815E+00 Diamond 0.1311207E+01 Metallicity 0.8271220E+01 Ellipticity 0.4587359E-02 Gb(Abramov) 0.2537718E+00 Vb(Abramov) -0.3834622E+00 Hb(Abramov) -0.1296904E+00 Ex_ueg -0.7734467E-01 Ec_ueg -0.1066054E-01 Delta_ex -0.5627970E-01 Delta_ec 0.1228595E-01 Delta_et -0.1686722E+00 Pxc 0.7255233E+01 Qxc -0.4580817E+01 3,-1 106 3 +3 0.015718 -2.304163 0.028886 Rho 0.4494973E-02 |GRAD(Rho)| 0.1967696E-11 GRAD(Rho)x -0.3448386E-12 GRAD(Rho)y -0.3199352E-12 GRAD(Rho)z 0.1910643E-11 Laplacian 0.1828460E-01 (-1/4)Del**2(Rho)) -0.4571151E-02 Diamond 0.1507342E-03 Metallicity 0.4613948E+00 Ellipticity -0.3748495E+00 Gb(Abramov) 0.3398952E-02 Vb(Abramov) -0.2226752E-02 Hb(Abramov) 0.1172200E-02 Ex_ueg -0.5478830E-03 Ec_ueg -0.1252446E-03 Delta_ex -0.6565778E-03 Delta_ec 0.1576630E-03 Delta_et -0.1000054E-02 Pxc 0.4374505E+01 Qxc -0.4164438E+01 3,+3 107 3 -1 -0.856379 -3.000768 -2.006429 Rho 0.1406951E+00 |GRAD(Rho)| 0.1786437E-15 GRAD(Rho)x -0.2995109E-16 GRAD(Rho)y -0.3649018E-16 GRAD(Rho)z 0.1722933E-15 Laplacian 0.5540474E+00 (-1/4)Del**2(Rho)) -0.1385119E+00 Diamond 0.1036283E+01 Metallicity 0.4733667E+01 Ellipticity 0.4468217E-01 Gb(Abramov) 0.2016194E+00 Vb(Abramov) -0.2647270E+00 Hb(Abramov) -0.6310755E-01 Ex_ueg -0.5404517E-01 Ec_ueg -0.7850551E-02 Delta_ex -0.5853759E-01 Delta_ec 0.1421563E-01 Delta_et -0.1873578E+00 Pxc 0.6884252E+01 Qxc -0.4117833E+01 3,-1 108 3 +1 -0.129286 -2.953149 -0.127203 Rho 0.5481639E-02 |GRAD(Rho)| 0.2328674E-17 GRAD(Rho)x 0.1834922E-17 GRAD(Rho)y -0.1066765E-17 GRAD(Rho)z -0.9580170E-18 Laplacian 0.2210582E-01 (-1/4)Del**2(Rho)) -0.5526455E-02 Diamond 0.6157340E-03 Metallicity 0.5312398E+00 Ellipticity -0.1151790E+02 Gb(Abramov) 0.4173616E-02 Vb(Abramov) -0.2820776E-02 Hb(Abramov) 0.1352840E-02 Ex_ueg -0.7138369E-03 Ec_ueg -0.1676982E-03 Delta_ex -0.1145476E-02 Delta_ec 0.7435593E-03 Delta_et -0.4132150E-02 Pxc 0.4256675E+01 Qxc -0.1540531E+01 3,+1 109 3 +1 0.552038 -1.657228 -0.522663 Rho 0.8484081E-02 |GRAD(Rho)| 0.1833167E-16 GRAD(Rho)x -0.9119120E-17 GRAD(Rho)y 0.1400070E-16 GRAD(Rho)z 0.7541356E-17 Laplacian 0.3262652E-01 (-1/4)Del**2(Rho)) -0.8156630E-02 Diamond 0.8789197E-03 Metallicity 0.7453903E+00 Ellipticity -0.1485946E+01 Gb(Abramov) 0.6451066E-02 Vb(Abramov) -0.4745501E-02 Hb(Abramov) 0.1705565E-02 Ex_ueg -0.1277982E-02 Ec_ueg -0.2997966E-03 Delta_ex -0.1495396E-02 Delta_ec 0.4769582E-03 Delta_et -0.3234066E-02 Pxc 0.4262831E+01 Qxc -0.3135276E+01 3,+1 110 3 -1 -0.097196 -2.954489 -0.094467 Rho 0.5481956E-02 |GRAD(Rho)| 0.8885443E-16 GRAD(Rho)x -0.6144649E-16 GRAD(Rho)y -0.5008789E-19 GRAD(Rho)z -0.6418284E-16 Laplacian 0.2192014E-01 (-1/4)Del**2(Rho)) -0.5480035E-02 Diamond 0.6353974E-03 Metallicity 0.5357914E+00 Ellipticity 0.1106987E+02 Gb(Abramov) 0.4142716E-02 Vb(Abramov) -0.2805397E-02 Hb(Abramov) 0.1337319E-02 Ex_ueg -0.7138919E-03 Ec_ueg -0.1677119E-03 Delta_ex -0.1156227E-02 Delta_ec 0.7736635E-03 Delta_et -0.4285919E-02 Pxc 0.4256655E+01 Qxc -0.1494483E+01 3,-1 111 3 -1 -0.584170 -2.815594 1.820694 Rho 0.1073940E+00 |GRAD(Rho)| 0.9749099E-16 GRAD(Rho)x 0.7578573E-16 GRAD(Rho)y 0.4019002E-16 GRAD(Rho)z 0.4632254E-16 Laplacian 0.4649989E+00 (-1/4)Del**2(Rho)) -0.1162497E+00 Diamond 0.6532205E+00 Metallicity 0.3595792E+01 Ellipticity 0.2203216E-01 Gb(Abramov) 0.1471681E+00 Vb(Abramov) -0.1780865E+00 Hb(Abramov) -0.3091840E-01 Ex_ueg -0.3770148E-01 Ec_ueg -0.5775090E-02 Delta_ex -0.4643503E-01 Delta_ec 0.1339925E-01 Delta_et -0.1696438E+00 Pxc 0.6528293E+01 Qxc -0.3465494E+01 3,-1 112 3 -1 -0.840789 -2.029262 -3.040724 Rho 0.1433329E+00 |GRAD(Rho)| 0.2121405E-14 GRAD(Rho)x 0.2107079E-14 GRAD(Rho)y 0.2358546E-15 GRAD(Rho)z 0.7035117E-16 Laplacian 0.5576492E+00 (-1/4)Del**2(Rho)) -0.1394123E+00 Diamond 0.1067804E+01 Metallicity 0.4850967E+01 Ellipticity 0.2186148E-01 Gb(Abramov) 0.2056556E+00 Vb(Abramov) -0.2718989E+00 Hb(Abramov) -0.6624331E-01 Ex_ueg -0.5540038E-01 Ec_ueg -0.8018096E-02 Delta_ex -0.5919927E-01 Delta_ec 0.1426668E-01 Delta_et -0.1885968E+00 Pxc 0.6909418E+01 Qxc -0.4149479E+01 3,-1 113 3 -1 0.867123 3.002767 -2.016545 Rho 0.1443236E+00 |GRAD(Rho)| 0.3963996E-13 GRAD(Rho)x 0.1776846E-13 GRAD(Rho)y -0.1794345E-13 GRAD(Rho)z 0.3055554E-13 Laplacian 0.5686889E+00 (-1/4)Del**2(Rho)) -0.1421722E+00 Diamond 0.1096424E+01 Metallicity 0.4811725E+01 Ellipticity 0.4723465E-01 Gb(Abramov) 0.2087971E+00 Vb(Abramov) -0.2754219E+00 Hb(Abramov) -0.6662485E-01 Ex_ueg -0.5591156E-01 Ec_ueg -0.8081139E-02 Delta_ex -0.6045660E-01 Delta_ec 0.1449516E-01 Delta_et -0.1917453E+00 Pxc 0.6918771E+01 Qxc -0.4170813E+01 3,-1 114 3 -1 0.549525 1.735716 -1.755620 Rho 0.4655463E-01 |GRAD(Rho)| 0.1215595E-15 GRAD(Rho)x 0.4779553E-16 GRAD(Rho)y -0.6300528E-16 GRAD(Rho)z 0.9231812E-16 Laplacian 0.1889289E+00 (-1/4)Del**2(Rho)) -0.4723223E-01 Diamond 0.8626297E-01 Metallicity 0.2197453E+01 Ellipticity 0.1529845E-01 Gb(Abramov) 0.4878659E-01 Vb(Abramov) -0.5034094E-01 Hb(Abramov) -0.1554357E-02 Ex_ueg -0.1236903E-01 Ec_ueg -0.2225331E-02 Delta_ex -0.1524398E-01 Delta_ec 0.5577179E-02 Delta_et -0.5770562E-01 Pxc 0.5558288E+01 Qxc -0.2733279E+01 3,-1 115 3 +1 -0.506938 1.657393 -0.551408 Rho 0.9292865E-02 |GRAD(Rho)| 0.3150711E-16 GRAD(Rho)x -0.1492225E-16 GRAD(Rho)y -0.5043552E-17 GRAD(Rho)z 0.2728712E-16 Laplacian 0.3699288E-01 (-1/4)Del**2(Rho)) -0.9248221E-02 Diamond 0.1096288E-02 Metallicity 0.7651461E+00 Ellipticity -0.1450442E+01 Gb(Abramov) 0.7344854E-02 Vb(Abramov) -0.5441487E-02 Hb(Abramov) 0.1903367E-02 Ex_ueg -0.1442950E-02 Ec_ueg -0.3360864E-03 Delta_ex -0.1721942E-02 Delta_ec 0.5176361E-03 Delta_et -0.3611337E-02 Pxc 0.4293389E+01 Qxc -0.3326550E+01 3,+1 116 3 +1 0.548839 -0.531915 -1.698854 Rho 0.8213622E-02 |GRAD(Rho)| 0.8960869E-13 GRAD(Rho)x 0.1561451E-13 GRAD(Rho)y -0.6390896E-13 GRAD(Rho)z -0.6084035E-13 Laplacian 0.3126453E-01 (-1/4)Del**2(Rho)) -0.7816132E-02 Diamond 0.7813977E-03 Metallicity 0.7369746E+00 Ellipticity -0.1447604E+01 Gb(Abramov) 0.6170803E-02 Vb(Abramov) -0.4525474E-02 Hb(Abramov) 0.1645329E-02 Ex_ueg -0.1223953E-02 Ec_ueg -0.2877258E-03 Delta_ex -0.1409645E-02 Delta_ec 0.4361036E-03 Delta_et -0.2948834E-02 Pxc 0.4253886E+01 Qxc -0.3232364E+01 3,+1 117 3 -1 -0.869288 2.038762 3.075611 Rho 0.1286371E+00 |GRAD(Rho)| 0.1007426E-12 GRAD(Rho)x 0.8333265E-13 GRAD(Rho)y 0.4331228E-13 GRAD(Rho)z -0.3645263E-13 Laplacian 0.5203309E+00 (-1/4)Del**2(Rho)) -0.1300827E+00 Diamond 0.8945388E+00 Metallicity 0.4341210E+01 Ellipticity 0.8248753E-02 Gb(Abramov) 0.1808412E+00 Vb(Abramov) -0.2315997E+00 Hb(Abramov) -0.5075849E-01 Ex_ueg -0.4795937E-01 Ec_ueg -0.7090355E-02 Delta_ex -0.5404622E-01 Delta_ec 0.1409319E-01 Delta_et -0.1839965E+00 Pxc 0.6764030E+01 Qxc -0.3834918E+01 3,-1 118 3 +1 -0.984093 2.205359 1.494263 Rho 0.2482373E-01 |GRAD(Rho)| 0.1670053E-13 GRAD(Rho)x 0.1192378E-13 GRAD(Rho)y -0.6635997E-14 GRAD(Rho)z 0.9627823E-14 Laplacian 0.9708547E-01 (-1/4)Del**2(Rho)) -0.2427137E-01 Diamond 0.9478500E-02 Metallicity 0.1499353E+01 Ellipticity -0.1793353E+01 Gb(Abramov) 0.2224614E-01 Vb(Abramov) -0.2022090E-01 Hb(Abramov) 0.2025232E-02 Ex_ueg -0.5348200E-02 Ec_ueg -0.1079843E-02 Delta_ex -0.5687349E-02 Delta_ec 0.1041422E-02 Delta_et -0.9320495E-02 Pxc 0.4952757E+01 Qxc -0.5461139E+01 3,+1 119 3 -1 -0.534161 2.768880 -1.813382 Rho 0.1258897E+00 |GRAD(Rho)| 0.4725984E-12 GRAD(Rho)x -0.2960854E-12 GRAD(Rho)y 0.1069770E-12 GRAD(Rho)z 0.3524749E-12 Laplacian 0.5184641E+00 (-1/4)Del**2(Rho)) -0.1296160E+00 Diamond 0.8542645E+00 Metallicity 0.4202856E+01 Ellipticity 0.1944809E-01 Gb(Abramov) 0.1772036E+00 Vb(Abramov) -0.2247912E+00 Hb(Abramov) -0.4758758E-01 Ex_ueg -0.4659848E-01 Ec_ueg -0.6918478E-02 Delta_ex -0.5339617E-01 Delta_ec 0.1379408E-01 Delta_et -0.1788754E+00 Pxc 0.6735366E+01 Qxc -0.3870947E+01 3,-1 120 3 +1 1.798678 1.786441 1.791505 Rho 0.1130735E-01 |GRAD(Rho)| 0.5207344E-17 GRAD(Rho)x -0.4242270E-17 GRAD(Rho)y 0.1446243E-17 GRAD(Rho)z 0.2651030E-17 Laplacian 0.5319984E-01 (-1/4)Del**2(Rho)) -0.1329996E-01 Diamond 0.1886170E-02 Metallicity 0.7378544E+00 Ellipticity -0.1256626E+01 Gb(Abramov) 0.1050221E-01 Vb(Abramov) -0.7704464E-02 Hb(Abramov) 0.2797747E-02 Ex_ueg -0.1874416E-02 Ec_ueg -0.4276888E-03 Delta_ex -0.2549787E-02 Delta_ec 0.6465704E-03 Delta_et -0.4812832E-02 Pxc 0.4382663E+01 Qxc -0.3943557E+01 3,+1 121 3 -1 -0.533053 -1.736512 -1.743230 Rho 0.4459461E-01 |GRAD(Rho)| 0.2930071E-16 GRAD(Rho)x -0.2225770E-16 GRAD(Rho)y 0.1590304E-16 GRAD(Rho)z 0.1049855E-16 Laplacian 0.1798580E+00 (-1/4)Del**2(Rho)) -0.4496449E-01 Diamond 0.7721613E-01 Metallicity 0.2148593E+01 Ellipticity 0.1401901E-01 Gb(Abramov) 0.4607806E-01 Vb(Abramov) -0.4719162E-01 Hb(Abramov) -0.1113566E-02 Ex_ueg -0.1167961E-01 Ec_ueg -0.2118337E-02 Delta_ex -0.1434445E-01 Delta_ec 0.5289551E-02 Delta_et -0.5410716E-01 Pxc 0.5513572E+01 Qxc -0.2711847E+01 3,-1 122 3 +1 0.174247 -2.971905 0.182552 Rho 0.5370268E-02 |GRAD(Rho)| 0.2946621E-14 GRAD(Rho)x 0.2149635E-14 GRAD(Rho)y -0.3678771E-15 GRAD(Rho)z 0.1981493E-14 Laplacian 0.2168048E-01 (-1/4)Del**2(Rho)) -0.5420121E-02 Diamond 0.4969514E-03 Metallicity 0.5234448E+00 Ellipticity -0.2152007E+01 Gb(Abramov) 0.4086269E-02 Vb(Abramov) -0.2752418E-02 Hb(Abramov) 0.1333851E-02 Ex_ueg -0.6945653E-03 Ec_ueg -0.1628816E-03 Delta_ex -0.1042647E-02 Delta_ec 0.5928495E-03 Delta_et -0.3325458E-02 Pxc 0.4264234E+01 Qxc -0.1758705E+01 3,+1 123 3 -1 -0.604140 -1.861694 2.877328 Rho 0.1260106E+00 |GRAD(Rho)| 0.2566491E-15 GRAD(Rho)x -0.2396764E-15 GRAD(Rho)y -0.6324964E-16 GRAD(Rho)z -0.6650903E-16 Laplacian 0.5361542E+00 (-1/4)Del**2(Rho)) -0.1340385E+00 Diamond 0.9054779E+00 Metallicity 0.4070695E+01 Ellipticity 0.1990715E-01 Gb(Abramov) 0.1802974E+00 Vb(Abramov) -0.2265562E+00 Hb(Abramov) -0.4625881E-01 Ex_ueg -0.4665818E-01 Ec_ueg -0.6926032E-02 Delta_ex -0.5549525E-01 Delta_ec 0.1473371E-01 Delta_et -0.1919255E+00 Pxc 0.6736638E+01 Qxc -0.3766549E+01 3,-1 124 3 +3 0.001513 0.001808 -2.350461 Rho 0.4443149E-02 |GRAD(Rho)| 0.6594020E-14 GRAD(Rho)x 0.2927787E-14 GRAD(Rho)y 0.3481867E-14 GRAD(Rho)z 0.4773443E-14 Laplacian 0.1774617E-01 (-1/4)Del**2(Rho)) -0.4436543E-02 Diamond 0.1435107E-03 Metallicity 0.4662941E+00 Ellipticity -0.2688417E+00 Gb(Abramov) 0.3302484E-02 Vb(Abramov) -0.2168425E-02 Hb(Abramov) 0.1134059E-02 Ex_ueg -0.5394769E-03 Ec_ueg -0.1230285E-03 Delta_ex -0.6348017E-03 Delta_ec 0.1520513E-03 Delta_et -0.9632756E-03 Pxc 0.4384975E+01 Qxc -0.4174919E+01 3,+3 125 3 +1 -1.359767 -1.112809 -2.211785 Rho 0.2588726E-01 |GRAD(Rho)| 0.2636715E-12 GRAD(Rho)x -0.1983664E-12 GRAD(Rho)y 0.1623119E-12 GRAD(Rho)z -0.6187302E-13 Laplacian 0.9926012E-01 (-1/4)Del**2(Rho)) -0.2481503E-01 Diamond 0.1325146E-01 Metallicity 0.1572710E+01 Ellipticity -0.3595386E+01 Gb(Abramov) 0.2304783E-01 Vb(Abramov) -0.2128062E-01 Hb(Abramov) 0.1767203E-02 Ex_ueg -0.5655876E-02 Ec_ueg -0.1133489E-02 Delta_ex -0.6193002E-02 Delta_ec 0.1616025E-02 Delta_et -0.1440095E-01 Pxc 0.4989792E+01 Qxc -0.3832243E+01 3,+1 126 3 -1 -0.866490 3.041040 2.007009 Rho 0.9450596E-01 |GRAD(Rho)| 0.1827792E-15 GRAD(Rho)x 0.1072005E-16 GRAD(Rho)y 0.4452005E-17 GRAD(Rho)z 0.1824102E-15 Laplacian 0.3971008E+00 (-1/4)Del**2(Rho)) -0.9927520E-01 Diamond 0.4779672E+00 Metallicity 0.3402601E+01 Ellipticity 0.7989183E-02 Gb(Abramov) 0.1224825E+00 Vb(Abramov) -0.1456897E+00 Hb(Abramov) -0.2320725E-01 Ex_ueg -0.3179294E-01 Ec_ueg -0.4993462E-02 Delta_ex -0.3850158E-01 Delta_ec 0.1175891E-01 Delta_et -0.1450194E+00 Pxc 0.6366913E+01 Qxc -0.3274249E+01 3,-1 127 3 +3 1.962348 -1.964291 1.966457 Rho 0.1147636E-01 |GRAD(Rho)| 0.1748594E-13 GRAD(Rho)x -0.1014184E-13 GRAD(Rho)y 0.1036633E-13 GRAD(Rho)z -0.9769356E-14 Laplacian 0.4873017E-01 (-1/4)Del**2(Rho)) -0.1218254E-01 Diamond 0.1114273E-02 Metallicity 0.8256993E+00 Ellipticity -0.9104534E+00 Gb(Abramov) 0.9798214E-02 Vb(Abramov) -0.7413886E-02 Hb(Abramov) 0.2384328E-02 Ex_ueg -0.1911864E-02 Ec_ueg -0.4354500E-03 Delta_ex -0.2145744E-02 Delta_ec 0.2369030E-03 Delta_et -0.2068116E-02 Pxc 0.4390548E+01 Qxc -0.9057480E+01 3,+3 128 3 -1 -0.489012 0.489474 0.455035 Rho 0.1787701E+00 |GRAD(Rho)| 0.2823925E-15 GRAD(Rho)x 0.1665335E-15 GRAD(Rho)y -0.1249001E-15 GRAD(Rho)z -0.1908196E-15 Laplacian 0.4711416E+00 (-1/4)Del**2(Rho)) -0.1177854E+00 Diamond 0.1204813E+01 Metallicity 0.8297615E+01 Ellipticity 0.1487974E-01 Gb(Abramov) 0.2414132E+00 Vb(Abramov) -0.3650411E+00 Hb(Abramov) -0.1236278E+00 Ex_ueg -0.7437808E-01 Ec_ueg -0.1031000E-01 Delta_ex -0.5305809E-01 Delta_ec 0.1179735E-01 Delta_et -0.1615636E+00 Pxc 0.7214166E+01 Qxc -0.4497460E+01 3,-1 129 3 +3 2.356072 -0.010387 0.008053 Rho 0.4252158E-02 |GRAD(Rho)| 0.2804163E-14 GRAD(Rho)x -0.2081269E-14 GRAD(Rho)y -0.1317909E-14 GRAD(Rho)z 0.1339689E-14 Laplacian 0.1702102E-01 (-1/4)Del**2(Rho)) -0.4255255E-02 Diamond 0.1343971E-03 Metallicity 0.4518316E+00 Ellipticity -0.3015706E+00 Gb(Abramov) 0.3157280E-02 Vb(Abramov) -0.2059305E-02 Hb(Abramov) 0.1097975E-02 Ex_ueg -0.5087811E-03 Ec_ueg -0.1148735E-03 Delta_ex -0.6074664E-03 Delta_ec 0.1555495E-03 Delta_et -0.9606429E-03 Pxc 0.4429057E+01 Qxc -0.3905294E+01 3,+3 130 3 -1 -0.056427 -3.297771 3.244827 Rho 0.2112401E+00 |GRAD(Rho)| 0.3235267E-15 GRAD(Rho)x -0.4526544E-16 GRAD(Rho)y -0.9833714E-16 GRAD(Rho)z 0.3048777E-15 Laplacian 0.7900192E+00 (-1/4)Del**2(Rho)) -0.1975048E+00 Diamond 0.2396894E+01 Metallicity 0.6535360E+01 Ellipticity 0.1975857E-02 Gb(Abramov) 0.3467974E+00 Vb(Abramov) -0.4960900E+00 Hb(Abramov) -0.1492926E+00 Ex_ueg -0.9291524E-01 Ec_ueg -0.1247373E-01 Delta_ex -0.9234685E-01 Delta_ec 0.1811208E-01 Delta_et -0.2492941E+00 Pxc 0.7448875E+01 Qxc -0.5098633E+01 3,-1 131 3 -1 0.076674 -3.251602 -3.198816 Rho 0.2350961E+00 |GRAD(Rho)| 0.3340551E-12 GRAD(Rho)x -0.6440595E-13 GRAD(Rho)y 0.2402673E-12 GRAD(Rho)z 0.2229715E-12 Laplacian 0.8603896E+00 (-1/4)Del**2(Rho)) -0.2150974E+00 Diamond 0.2967379E+01 Metallicity 0.7172333E+01 Ellipticity 0.1273033E-02 Gb(Abramov) 0.4005233E+00 Vb(Abramov) -0.5859492E+00 Hb(Abramov) -0.1854259E+00 Ex_ueg -0.1071632E+00 Ec_ueg -0.1410078E-01 Delta_ex -0.1033893E+00 Delta_ec 0.1911407E-01 Delta_et -0.2645244E+00 Pxc 0.7599806E+01 Qxc -0.5409066E+01 3,-1 132 3 +1 1.677048 -0.551023 -0.548583 Rho 0.8160322E-02 |GRAD(Rho)| 0.4558545E-17 GRAD(Rho)x 0.2263762E-18 GRAD(Rho)y -0.3443823E-17 GRAD(Rho)z 0.2978115E-17 Laplacian 0.3082478E-01 (-1/4)Del**2(Rho)) -0.7706196E-02 Diamond 0.7763651E-03 Metallicity 0.7394212E+00 Ellipticity -0.1473143E+01 Gb(Abramov) 0.6087152E-02 Vb(Abramov) -0.4468107E-02 Hb(Abramov) 0.1619045E-02 Ex_ueg -0.1213374E-02 Ec_ueg -0.2853508E-03 Delta_ex -0.1393703E-02 Delta_ec 0.4409783E-03 Delta_et -0.2967641E-02 Pxc 0.4252219E+01 Qxc -0.3160478E+01 3,+1 133 3 +1 0.515176 1.684130 0.540653 Rho 0.8500495E-02 |GRAD(Rho)| 0.2899427E-17 GRAD(Rho)x 0.1712052E-17 GRAD(Rho)y 0.1053431E-17 GRAD(Rho)z -0.2089458E-17 Laplacian 0.3237800E-01 (-1/4)Del**2(Rho)) -0.8094501E-02 Diamond 0.8617435E-03 Metallicity 0.7535351E+00 Ellipticity -0.1480649E+01 Gb(Abramov) 0.6412916E-02 Vb(Abramov) -0.4731331E-02 Hb(Abramov) 0.1681585E-02 Ex_ueg -0.1281280E-02 Ec_ueg -0.3005302E-03 Delta_ex -0.1478877E-02 Delta_ec 0.4628829E-03 Delta_et -0.3148399E-02 Pxc 0.4263398E+01 Qxc -0.3194927E+01 3,+1 134 3 -1 -0.540363 1.834898 -2.823393 Rho 0.1534559E+00 |GRAD(Rho)| 0.8264696E-13 GRAD(Rho)x 0.5563093E-13 GRAD(Rho)y 0.5992220E-13 GRAD(Rho)z 0.1204368E-13 Laplacian 0.6328689E+00 (-1/4)Del**2(Rho)) -0.1582172E+00 Diamond 0.1310201E+01 Metallicity 0.4789300E+01 Ellipticity 0.1115434E-01 Gb(Abramov) 0.2317698E+00 Vb(Abramov) -0.3053223E+00 Hb(Abramov) -0.7355255E-01 Ex_ueg -0.6067780E-01 Ec_ueg -0.8665107E-02 Delta_ex -0.6827021E-01 Delta_ec 0.1583050E-01 Delta_et -0.2110705E+00 Pxc 0.7002545E+01 Qxc -0.4312573E+01 3,-1 135 3 +1 1.348488 2.181592 -1.124055 Rho 0.2809232E-01 |GRAD(Rho)| 0.1412644E-15 GRAD(Rho)x 0.3769428E-16 GRAD(Rho)y 0.1352370E-15 GRAD(Rho)z -0.1567559E-16 Laplacian 0.1129469E+00 (-1/4)Del**2(Rho)) -0.2823673E-01 Diamond 0.1796663E-01 Metallicity 0.1583865E+01 Ellipticity -0.5052596E+01 Gb(Abramov) 0.2627835E-01 Vb(Abramov) -0.2431997E-01 Hb(Abramov) 0.1958380E-02 Ex_ueg -0.6307181E-02 Ec_ueg -0.1245633E-02 Delta_ex -0.7305476E-02 Delta_ec 0.2019629E-02 Delta_et -0.1832355E-01 Pxc 0.5063432E+01 Qxc -0.3617237E+01 3,+1 136 3 -1 -0.535700 1.753956 1.760066 Rho 0.3752981E-01 |GRAD(Rho)| 0.2717471E-13 GRAD(Rho)x 0.8810289E-14 GRAD(Rho)y 0.1752027E-13 GRAD(Rho)z 0.1881180E-13 Laplacian 0.1585625E+00 (-1/4)Del**2(Rho)) -0.3964062E-01 Diamond 0.5841128E-01 Metallicity 0.1828269E+01 Ellipticity 0.3335915E-01 Gb(Abramov) 0.3850603E-01 Vb(Abramov) -0.3737144E-01 Hb(Abramov) 0.1134590E-02 Ex_ueg -0.9280118E-02 Ec_ueg -0.1738156E-02 Delta_ex -0.1240357E-01 Delta_ec 0.5184222E-02 Delta_et -0.5067397E-01 Pxc 0.5339058E+01 Qxc -0.2392562E+01 3,-1 137 3 -1 1.866902 0.598217 2.885237 Rho 0.1283030E+00 |GRAD(Rho)| 0.1887250E-14 GRAD(Rho)x 0.1456775E-14 GRAD(Rho)y -0.1112093E-14 GRAD(Rho)z -0.4502963E-15 Laplacian 0.5444486E+00 (-1/4)Del**2(Rho)) -0.1361121E+00 Diamond 0.9386098E+00 Metallicity 0.4130961E+01 Ellipticity 0.1734903E-01 Gb(Abramov) 0.1844538E+00 Vb(Abramov) -0.2327954E+00 Hb(Abramov) -0.4834162E-01 Ex_ueg -0.4779336E-01 Ec_ueg -0.7069427E-02 Delta_ex -0.5658397E-01 Delta_ec 0.1487655E-01 Delta_et -0.1943531E+00 Pxc 0.6760571E+01 Qxc -0.3803569E+01 3,-1 138 3 +3 1.118400 1.106130 1.177224 Rho 0.4758821E-02 |GRAD(Rho)| 0.6850851E-14 GRAD(Rho)x -0.2760715E-14 GRAD(Rho)y -0.5260976E-14 GRAD(Rho)z -0.3410975E-14 Laplacian 0.1755034E-01 (-1/4)Del**2(Rho)) -0.4387584E-02 Diamond 0.1132888E-03 Metallicity 0.5286399E+00 Ellipticity -0.1445262E+00 Gb(Abramov) 0.3311631E-02 Vb(Abramov) -0.2235679E-02 Hb(Abramov) 0.1075953E-02 Ex_ueg -0.5911770E-03 Ec_ueg -0.1365487E-03 Delta_ex -0.5968607E-03 Delta_ec 0.7509812E-04 Delta_et -0.5958989E-03 Pxc 0.4329423E+01 Qxc -0.7947745E+01 3,+3 139 3 -1 0.522479 -1.728709 1.771938 Rho 0.3967865E-01 |GRAD(Rho)| 0.6306956E-16 GRAD(Rho)x -0.8620254E-17 GRAD(Rho)y 0.8612207E-17 GRAD(Rho)z 0.6188126E-16 Laplacian 0.1697563E+00 (-1/4)Del**2(Rho)) -0.4243906E-01 Diamond 0.6764264E-01 Metallicity 0.1873767E+01 Ellipticity 0.1830686E-01 Gb(Abramov) 0.4154619E-01 Vb(Abramov) -0.4065332E-01 Hb(Abramov) 0.8928698E-03 Ex_ueg -0.9995264E-02 Ec_ueg -0.1852842E-02 Delta_ex -0.1347088E-01 Delta_ec 0.5569019E-02 Delta_et -0.5528115E-01 Pxc 0.5394558E+01 Qxc -0.2418897E+01 3,-1 140 3 -1 0.556240 -1.835591 -2.820548 Rho 0.1528909E+00 |GRAD(Rho)| 0.3800693E-13 GRAD(Rho)x -0.2403077E-13 GRAD(Rho)y -0.2873786E-13 GRAD(Rho)z 0.6417494E-14 Laplacian 0.6274647E+00 (-1/4)Del**2(Rho)) -0.1568662E+00 Diamond 0.1292970E+01 Metallicity 0.4800945E+01 Ellipticity 0.1017220E-01 Gb(Abramov) 0.2300951E+00 Vb(Abramov) -0.3033240E+00 Hb(Abramov) -0.7322893E-01 Ex_ueg -0.6038013E-01 Ec_ueg -0.8628832E-02 Delta_ex -0.6762269E-01 Delta_ec 0.1570464E-01 Delta_et -0.2092769E+00 Pxc 0.6997486E+01 Qxc -0.4305906E+01 3,-1 141 3 -1 0.582953 2.813155 1.826793 Rho 0.1099020E+00 |GRAD(Rho)| 0.4566004E-14 GRAD(Rho)x -0.2907288E-14 GRAD(Rho)y -0.4818601E-15 GRAD(Rho)z 0.3487675E-14 Laplacian 0.4751533E+00 (-1/4)Del**2(Rho)) -0.1187883E+00 Diamond 0.6835880E+00 Metallicity 0.3656976E+01 Ellipticity 0.2232396E-01 Gb(Abramov) 0.1515932E+00 Vb(Abramov) -0.1843981E+00 Hb(Abramov) -0.3280490E-01 Ex_ueg -0.3887996E-01 Ec_ueg -0.5928688E-02 Delta_ex -0.4766358E-01 Delta_ec 0.1354881E-01 Delta_et -0.1722156E+00 Pxc 0.6557938E+01 Qxc -0.3517917E+01 3,-1 142 3 -1 -0.059216 3.243837 -3.208755 Rho 0.2354128E+00 |GRAD(Rho)| 0.4659675E-14 GRAD(Rho)x 0.1990514E-14 GRAD(Rho)y 0.4191309E-14 GRAD(Rho)z -0.4282056E-15 Laplacian 0.8661583E+00 (-1/4)Del**2(Rho)) -0.2165396E+00 Diamond 0.2988362E+01 Metallicity 0.7140567E+01 Ellipticity 0.2781368E-02 Gb(Abramov) 0.4020623E+00 Vb(Abramov) -0.5875850E+00 Hb(Abramov) -0.1855227E+00 Ex_ueg -0.1073557E+00 Ec_ueg -0.1412259E-01 Delta_ex -0.1040985E+00 Delta_ec 0.1919800E-01 Delta_et -0.2655420E+00 Pxc 0.7601702E+01 Qxc -0.5422363E+01 3,-1 143 3 +1 0.220730 2.959763 -0.216207 Rho 0.5880106E-02 |GRAD(Rho)| 0.1506419E-16 GRAD(Rho)x 0.9967873E-17 GRAD(Rho)y 0.1095519E-17 GRAD(Rho)z 0.1124149E-16 Laplacian 0.2456700E-01 (-1/4)Del**2(Rho)) -0.6141750E-02 Diamond 0.6337081E-03 Metallicity 0.5373241E+00 Ellipticity -0.2125093E+01 Gb(Abramov) 0.4644518E-02 Vb(Abramov) -0.3147287E-02 Hb(Abramov) 0.1497232E-02 Ex_ueg -0.7838481E-03 Ec_ueg -0.1849818E-03 Delta_ex -0.1201796E-02 Delta_ec 0.6683522E-03 Delta_et -0.3852156E-02 Pxc 0.4237434E+01 Qxc -0.1798147E+01 3,+1 144 3 -1 0.018167 2.957070 -0.005188 Rho 0.5976955E-02 |GRAD(Rho)| 0.1824903E-16 GRAD(Rho)x 0.1292623E-16 GRAD(Rho)y 0.2500931E-18 GRAD(Rho)z 0.1287933E-16 Laplacian 0.2373972E-01 (-1/4)Del**2(Rho)) -0.5934930E-02 Diamond 0.8182300E-03 Metallicity 0.5713964E+00 Ellipticity 0.1598094E+01 Gb(Abramov) 0.4521820E-02 Vb(Abramov) -0.3108709E-02 Hb(Abramov) 0.1413110E-02 Ex_ueg -0.8011091E-03 Ec_ueg -0.1891944E-03 Delta_ex -0.1305971E-02 Delta_ec 0.8970526E-03 Delta_et -0.5080477E-02 Pxc 0.4234317E+01 Qxc -0.1455846E+01 3,-1 145 3 -1 0.070697 3.293730 3.260839 Rho 0.2124499E+00 |GRAD(Rho)| 0.3927612E-15 GRAD(Rho)x -0.5881797E-17 GRAD(Rho)y 0.2638948E-15 GRAD(Rho)z 0.2908372E-15 Laplacian 0.7914117E+00 (-1/4)Del**2(Rho)) -0.1978529E+00 Diamond 0.2419204E+01 Metallicity 0.6586251E+01 Ellipticity 0.2806383E-02 Gb(Abramov) 0.3490868E+00 Vb(Abramov) -0.5003206E+00 Hb(Abramov) -0.1512339E+00 Ex_ueg -0.9362542E-01 Ec_ueg -0.1255548E-01 Delta_ex -0.9265533E-01 Delta_ec 0.1813218E-01 Delta_et -0.2497295E+00 Pxc 0.7456935E+01 Qxc -0.5109994E+01 3,-1 146 3 +1 0.154941 0.151541 -2.974793 Rho 0.5225013E-02 |GRAD(Rho)| 0.9628960E-17 GRAD(Rho)x 0.6449381E-17 GRAD(Rho)y 0.6845136E-17 GRAD(Rho)z -0.2065545E-17 Laplacian 0.2063338E-01 (-1/4)Del**2(Rho)) -0.5158344E-02 Diamond 0.4934381E-03 Metallicity 0.5254384E+00 Ellipticity -0.3331398E+01 Gb(Abramov) 0.3890628E-02 Vb(Abramov) -0.2622912E-02 Hb(Abramov) 0.1267716E-02 Ex_ueg -0.6696300E-03 Ec_ueg -0.1566088E-03 Delta_ex -0.1019702E-02 Delta_ec 0.6230422E-03 Delta_et -0.3439383E-02 Pxc 0.4275812E+01 Qxc -0.1636650E+01 3,+1 147 3 -1 0.466767 -0.454078 0.483051 Rho 0.1869578E+00 |GRAD(Rho)| 0.5093371E-14 GRAD(Rho)x -0.2720046E-14 GRAD(Rho)y 0.2987194E-14 GRAD(Rho)z -0.3101686E-14 Laplacian 0.5056660E+00 (-1/4)Del**2(Rho)) -0.1264165E+00 Diamond 0.1355384E+01 Metallicity 0.8330195E+01 Ellipticity 0.1779396E-02 Gb(Abramov) 0.2597900E+00 Vb(Abramov) -0.3931636E+00 Hb(Abramov) -0.1333735E+00 Ex_ueg -0.7895440E-01 Ec_ueg -0.1085000E-01 Delta_ex -0.5752090E-01 Delta_ec 0.1239335E-01 Delta_et -0.1702062E+00 Pxc 0.7276903E+01 Qxc -0.4641271E+01 3,-1 148 3 +1 1.045842 -2.180859 1.417857 Rho 0.2463838E-01 |GRAD(Rho)| 0.4697183E-16 GRAD(Rho)x -0.1132194E-16 GRAD(Rho)y 0.4316809E-16 GRAD(Rho)z -0.1465206E-16 Laplacian 0.9388945E-01 (-1/4)Del**2(Rho)) -0.2347236E-01 Diamond 0.1111517E-01 Metallicity 0.1531146E+01 Ellipticity -0.2780299E+01 Gb(Abramov) 0.2163818E-01 Vb(Abramov) -0.1980399E-01 Hb(Abramov) 0.1834184E-02 Ex_ueg -0.5295024E-02 Ec_ueg -0.1070524E-02 Delta_ex -0.5714792E-02 Delta_ec 0.1411204E-02 Delta_et -0.1245667E-01 Pxc 0.4946196E+01 Qxc -0.4049585E+01 3,+1 149 3 -1 0.472375 0.479700 -0.480429 Rho 0.1837692E+00 |GRAD(Rho)| 0.5811816E-15 GRAD(Rho)x -0.5759282E-15 GRAD(Rho)y -0.2775558E-16 GRAD(Rho)z 0.7285839E-16 Laplacian 0.4949250E+00 (-1/4)Del**2(Rho)) -0.1237313E+00 Diamond 0.1305145E+01 Metallicity 0.8270431E+01 Ellipticity 0.5815408E-02 Gb(Abramov) 0.2530393E+00 Vb(Abramov) -0.3823474E+00 Hb(Abramov) -0.1293081E+00 Ex_ueg -0.7716409E-01 Ec_ueg -0.1063925E-01 Delta_ex -0.5609911E-01 Delta_ec 0.1226217E-01 Delta_et -0.1683292E+00 Pxc 0.7252776E+01 Qxc -0.4574974E+01 3,-1 150 3 -1 -0.006049 -0.000735 -2.977640 Rho 0.5247795E-02 |GRAD(Rho)| 0.1289329E-16 GRAD(Rho)x -0.9191803E-17 GRAD(Rho)y 0.8868118E-17 GRAD(Rho)z 0.1761840E-17 Laplacian 0.2035694E-01 (-1/4)Del**2(Rho)) -0.5089235E-02 Diamond 0.5628285E-03 Metallicity 0.5364494E+00 Ellipticity 0.4471779E+01 Gb(Abramov) 0.3847843E-02 Vb(Abramov) -0.2606451E-02 Hb(Abramov) 0.1241392E-02 Ex_ueg -0.6735257E-03 Ec_ueg -0.1575920E-03 Delta_ex -0.1070580E-02 Delta_ec 0.7283843E-03 Delta_et -0.3978469E-02 Pxc 0.4273858E+01 Qxc -0.1469802E+01 3,-1 151 3 -1 0.562755 -2.787676 -1.816277 Rho 0.1453687E+00 |GRAD(Rho)| 0.4611139E-13 GRAD(Rho)x -0.4429088E-13 GRAD(Rho)y -0.1232474E-13 GRAD(Rho)z 0.3560818E-14 Laplacian 0.6089282E+00 (-1/4)Del**2(Rho)) -0.1522321E+00 Diamond 0.1181091E+01 Metallicity 0.4548119E+01 Ellipticity 0.1527353E-01 Gb(Abramov) 0.2168830E+00 Vb(Abramov) -0.2815338E+00 Hb(Abramov) -0.6465089E-01 Ex_ueg -0.5645202E-01 Ec_ueg -0.8147705E-02 Delta_ex -0.6481635E-01 Delta_ec 0.1543514E-01 Delta_et -0.2042630E+00 Pxc 0.6928580E+01 Qxc -0.4199271E+01 3,-1 152 3 -1 0.866393 -3.038751 1.993907 Rho 0.1082199E+00 |GRAD(Rho)| 0.3376195E-12 GRAD(Rho)x -0.2380015E-12 GRAD(Rho)y 0.1261451E-12 GRAD(Rho)z 0.2035428E-12 Laplacian 0.4479144E+00 (-1/4)Del**2(Rho)) -0.1119786E+00 Diamond 0.6334512E+00 Metallicity 0.3780914E+01 Ellipticity 0.4379423E-02 Gb(Abramov) 0.1452160E+00 Vb(Abramov) -0.1784534E+00 Hb(Abramov) -0.3323738E-01 Ex_ueg -0.3808857E-01 Ec_ueg -0.5825620E-02 Delta_ex -0.4478399E-01 Delta_ec 0.1284103E-01 Delta_et -0.1627633E+00 Pxc 0.6538114E+01 Qxc -0.3487569E+01 3,-1 153 3 +1 2.015294 -2.018327 2.014783 Rho 0.1148474E-01 |GRAD(Rho)| 0.2297355E-16 GRAD(Rho)x -0.5608355E-17 GRAD(Rho)y 0.1449363E-16 GRAD(Rho)z 0.1691936E-16 Laplacian 0.4907116E-01 (-1/4)Del**2(Rho)) -0.1226779E-01 Diamond 0.1301553E-02 Metallicity 0.8209598E+00 Ellipticity -0.1071669E+01 Gb(Abramov) 0.9857087E-02 Vb(Abramov) -0.7446384E-02 Hb(Abramov) 0.2410703E-02 Ex_ueg -0.1913726E-02 Ec_ueg -0.4358352E-03 Delta_ex -0.2215858E-02 Delta_ec 0.3361185E-03 Delta_et -0.2729806E-02 Pxc 0.4390940E+01 Qxc -0.6592493E+01 3,+1 154 3 -1 0.881037 -2.040847 3.071799 Rho 0.1273137E+00 |GRAD(Rho)| 0.8694622E-14 GRAD(Rho)x -0.8385667E-14 GRAD(Rho)y 0.2289876E-14 GRAD(Rho)z -0.1830540E-15 Laplacian 0.5147644E+00 (-1/4)Del**2(Rho)) -0.1286911E+00 Diamond 0.8757055E+00 Metallicity 0.4313167E+01 Ellipticity 0.7535692E-02 Gb(Abramov) 0.1783051E+00 Vb(Abramov) -0.2279191E+00 Hb(Abramov) -0.4961400E-01 Ex_ueg -0.4730260E-01 Ec_ueg -0.7007497E-02 Delta_ex -0.5335667E-01 Delta_ec 0.1401322E-01 Delta_et -0.1826950E+00 Pxc 0.6750285E+01 Qxc -0.3807596E+01 3,-1 155 3 +1 2.978476 -0.145606 0.138209 Rho 0.4948209E-02 |GRAD(Rho)| 0.6154207E-17 GRAD(Rho)x -0.7810430E-19 GRAD(Rho)y 0.1720690E-17 GRAD(Rho)z 0.5908248E-17 Laplacian 0.1962380E-01 (-1/4)Del**2(Rho)) -0.4905950E-02 Diamond 0.4351131E-03 Metallicity 0.5045569E+00 Ellipticity -0.2854143E+01 Gb(Abramov) 0.3683188E-02 Vb(Abramov) -0.2460427E-02 Hb(Abramov) 0.1222761E-02 Ex_ueg -0.6227529E-03 Ec_ueg -0.1446847E-03 Delta_ex -0.9585089E-03 Delta_ec 0.5907817E-03 Delta_et -0.3209414E-02 Pxc 0.4304207E+01 Qxc -0.1622442E+01 3,+1 156 3 -1 0.864611 2.023596 -3.057525 Rho 0.1596529E+00 |GRAD(Rho)| 0.5715635E-15 GRAD(Rho)x 0.4450650E-15 GRAD(Rho)y -0.3185928E-15 GRAD(Rho)z -0.1646225E-15 Laplacian 0.6170052E+00 (-1/4)Del**2(Rho)) -0.1542513E+00 Diamond 0.1346566E+01 Metallicity 0.5247497E+01 Ellipticity 0.3273297E-01 Gb(Abramov) 0.2377397E+00 Vb(Abramov) -0.3212282E+00 Hb(Abramov) -0.8348843E-01 Ex_ueg -0.6396671E-01 Ec_ueg -0.9064272E-02 Delta_ex -0.6727883E-01 Delta_ec 0.1539478E-01 Delta_et -0.2066070E+00 Pxc 0.7057015E+01 Qxc -0.4370236E+01 3,-1 157 3 -1 1.743061 -1.730074 0.555741 Rho 0.4017997E-01 |GRAD(Rho)| 0.6331491E-16 GRAD(Rho)x 0.3483211E-16 GRAD(Rho)y -0.4731844E-16 GRAD(Rho)z -0.2358955E-16 Laplacian 0.1601033E+00 (-1/4)Del**2(Rho)) -0.4002581E-01 Diamond 0.5906370E-01 Metallicity 0.2028752E+01 Ellipticity 0.1802847E-01 Gb(Abramov) 0.4021762E-01 Vb(Abramov) -0.4040942E-01 Hb(Abramov) -0.1918037E-03 Ex_ueg -0.1016400E-01 Ec_ueg -0.1879721E-02 Delta_ex -0.1240732E-01 Delta_ec 0.4651535E-02 Delta_et -0.4626932E-01 Pxc 0.5407183E+01 Qxc -0.2667360E+01 3,-1 158 3 +1 1.133551 -1.346357 2.218678 Rho 0.2491250E-01 |GRAD(Rho)| 0.7337202E-16 GRAD(Rho)x 0.2456626E-16 GRAD(Rho)y -0.1069944E-16 GRAD(Rho)z 0.6830427E-16 Laplacian 0.9375834E-01 (-1/4)Del**2(Rho)) -0.2343959E-01 Diamond 0.1283000E-01 Metallicity 0.1561824E+01 Ellipticity -0.7515296E+01 Gb(Abramov) 0.2172781E-01 Vb(Abramov) -0.2001603E-01 Hb(Abramov) 0.1711776E-02 Ex_ueg -0.5373718E-02 Ec_ueg -0.1084310E-02 Delta_ex -0.5894162E-02 Delta_ec 0.1713056E-02 Delta_et -0.1507989E-01 Pxc 0.4955888E+01 Qxc -0.3440729E+01 3,+1 159 3 -1 1.736716 -0.517998 1.777972 Rho 0.4095306E-01 |GRAD(Rho)| 0.1610187E-15 GRAD(Rho)x -0.1013013E-15 GRAD(Rho)y -0.5731152E-16 GRAD(Rho)z -0.1112675E-15 Laplacian 0.1757495E+00 (-1/4)Del**2(Rho)) -0.4393738E-01 Diamond 0.7323604E-01 Metallicity 0.1907786E+01 Ellipticity 0.1897570E-01 Gb(Abramov) 0.4326211E-01 Vb(Abramov) -0.4258684E-01 Hb(Abramov) 0.6752734E-03 Ex_ueg -0.1042558E-01 Ec_ueg -0.1921262E-02 Delta_ex -0.1406140E-01 Delta_ec 0.5777987E-02 Delta_et -0.5785820E-01 Pxc 0.5426424E+01 Qxc -0.2433615E+01 3,-1 160 3 +1 2.188351 1.077803 -1.412687 Rho 0.2654962E-01 |GRAD(Rho)| 0.2064527E-13 GRAD(Rho)x 0.1023235E-13 GRAD(Rho)y -0.1017384E-13 GRAD(Rho)z -0.1476547E-13 Laplacian 0.1025493E+00 (-1/4)Del**2(Rho)) -0.2563733E-01 Diamond 0.1386571E-01 Metallicity 0.1587733E+01 Ellipticity -0.3257566E+01 Gb(Abramov) 0.2387576E-01 Vb(Abramov) -0.2211419E-01 Hb(Abramov) 0.1761570E-02 Ex_ueg -0.5849643E-02 Ec_ueg -0.1167047E-02 Delta_ex -0.6410867E-02 Delta_ec 0.1614094E-02 Delta_et -0.1448171E-01 Pxc 0.5012346E+01 Qxc -0.3971806E+01 3,+1 161 3 +1 1.415152 1.068961 -2.215128 Rho 0.2533900E-01 |GRAD(Rho)| 0.2397557E-16 GRAD(Rho)x 0.1308405E-16 GRAD(Rho)y 0.9680061E-17 GRAD(Rho)z -0.1760488E-16 Laplacian 0.9627445E-01 (-1/4)Del**2(Rho)) -0.2406861E-01 Diamond 0.1143870E-01 Metallicity 0.1564653E+01 Ellipticity -0.2579434E+01 Gb(Abramov) 0.2232224E-01 Vb(Abramov) -0.2057588E-01 Hb(Abramov) 0.1746367E-02 Ex_ueg -0.5496730E-02 Ec_ueg -0.1105798E-02 Delta_ex -0.5861213E-02 Delta_ec 0.1369240E-02 Delta_et -0.1218519E-01 Pxc 0.4970829E+01 Qxc -0.4280631E+01 3,+1 162 3 -1 1.745884 0.529313 -1.746536 Rho 0.4252283E-01 |GRAD(Rho)| 0.2554438E-15 GRAD(Rho)x -0.1464778E-15 GRAD(Rho)y 0.4349091E-16 GRAD(Rho)z 0.2047054E-15 Laplacian 0.1826392E+00 (-1/4)Del**2(Rho)) -0.4565981E-01 Diamond 0.7983243E-01 Metallicity 0.1954592E+01 Ellipticity 0.1538807E-01 Gb(Abramov) 0.4531425E-01 Vb(Abramov) -0.4496869E-01 Hb(Abramov) 0.3455566E-03 Ex_ueg -0.1096178E-01 Ec_ueg -0.2005935E-02 Delta_ex -0.1473289E-01 Delta_ec 0.5978065E-02 Delta_et -0.6047875E-01 Pxc 0.5464675E+01 Qxc -0.2464491E+01 3,-1 163 3 -1 1.818174 -2.790627 -0.557815 Rho 0.1256165E+00 |GRAD(Rho)| 0.3668232E-15 GRAD(Rho)x -0.2752112E-15 GRAD(Rho)y -0.6319205E-16 GRAD(Rho)z -0.2341470E-15 Laplacian 0.5221718E+00 (-1/4)Del**2(Rho)) -0.1305429E+00 Diamond 0.8550856E+00 Metallicity 0.4157935E+01 Ellipticity 0.1223840E-01 Gb(Abramov) 0.1774935E+00 Vb(Abramov) -0.2244440E+00 Hb(Abramov) -0.4695053E-01 Ex_ueg -0.4646373E-01 Ec_ueg -0.6901419E-02 Delta_ex -0.5371160E-01 Delta_ec 0.1383125E-01 Delta_et -0.1791711E+00 Pxc 0.6732489E+01 Qxc -0.3883350E+01 3,-1 164 3 -1 2.020685 -3.036112 0.833603 Rho 0.1567774E+00 |GRAD(Rho)| 0.3674536E-14 GRAD(Rho)x 0.1870764E-14 GRAD(Rho)y -0.3050159E-14 GRAD(Rho)z -0.8360554E-15 Laplacian 0.6158405E+00 (-1/4)Del**2(Rho)) -0.1539601E+00 Diamond 0.1310729E+01 Metallicity 0.5100556E+01 Ellipticity 0.3140081E-01 Gb(Abramov) 0.2335205E+00 Vb(Abramov) -0.3130808E+00 Hb(Abramov) -0.7956033E-01 Ex_ueg -0.6243524E-01 Ec_ueg -0.8878770E-02 Delta_ex -0.6681016E-01 Delta_ec 0.1536472E-01 Delta_et -0.2055425E+00 Pxc 0.7031970E+01 Qxc -0.4348285E+01 3,-1 165 3 -1 1.746507 1.736927 -0.526632 Rho 0.4414566E-01 |GRAD(Rho)| 0.1473931E-16 GRAD(Rho)x 0.6387052E-17 GRAD(Rho)y -0.4196625E-17 GRAD(Rho)z 0.1260321E-16 Laplacian 0.1779111E+00 (-1/4)Del**2(Rho)) -0.4447778E-01 Diamond 0.7532449E-01 Metallicity 0.2135781E+01 Ellipticity 0.1816035E-01 Gb(Abramov) 0.4548432E-01 Vb(Abramov) -0.4649086E-01 Hb(Abramov) -0.1006541E-02 Ex_ueg -0.1152309E-01 Ec_ueg -0.2093919E-02 Delta_ex -0.1415268E-01 Delta_ec 0.5231574E-02 Delta_et -0.5337067E-01 Pxc 0.5503123E+01 Qxc -0.2705242E+01 3,-1 166 3 +1 2.197015 -1.054628 1.420000 Rho 0.2458879E-01 |GRAD(Rho)| 0.2058245E-13 GRAD(Rho)x 0.5864119E-14 GRAD(Rho)y 0.1165004E-13 GRAD(Rho)z 0.1592250E-13 Laplacian 0.9362564E-01 (-1/4)Del**2(Rho)) -0.2340641E-01 Diamond 0.1104275E-01 Metallicity 0.1530313E+01 Ellipticity -0.2769662E+01 Gb(Abramov) 0.2157413E-01 Vb(Abramov) -0.1974185E-01 Hb(Abramov) 0.1832281E-02 Ex_ueg -0.5280819E-02 Ec_ueg -0.1068033E-02 Delta_ex -0.5694460E-02 Delta_ec 0.1405174E-02 Delta_et -0.1239816E-01 Pxc 0.4944436E+01 Qxc -0.4052494E+01 3,+1 167 3 -1 2.036817 -0.889707 3.078860 Rho 0.1302912E+00 |GRAD(Rho)| 0.1754956E-13 GRAD(Rho)x 0.1243009E-13 GRAD(Rho)y 0.1981407E-14 GRAD(Rho)z -0.1222922E-13 Laplacian 0.5252089E+00 (-1/4)Del**2(Rho)) -0.1313022E+00 Diamond 0.9180609E+00 Metallicity 0.4393457E+01 Ellipticity 0.1014957E-01 Gb(Abramov) 0.1836799E+00 Vb(Abramov) -0.2360576E+00 Hb(Abramov) -0.5237770E-01 Ex_ueg -0.4878339E-01 Ec_ueg -0.7194075E-02 Delta_ex -0.5473408E-01 Delta_ec 0.1420758E-01 Delta_et -0.1859357E+00 Pxc 0.6781050E+01 Qxc -0.3852456E+01 3,-1 168 3 -1 2.002497 3.000598 -0.848168 Rho 0.1229401E+00 |GRAD(Rho)| 0.6955334E-13 GRAD(Rho)x 0.6172027E-13 GRAD(Rho)y 0.2072906E-13 GRAD(Rho)z -0.2446593E-13 Laplacian 0.4796969E+00 (-1/4)Del**2(Rho)) -0.1199242E+00 Diamond 0.7667068E+00 Metallicity 0.4366522E+01 Ellipticity 0.2300879E-01 Gb(Abramov) 0.1672248E+00 Vb(Abramov) -0.2145253E+00 Hb(Abramov) -0.4730055E-01 Ex_ueg -0.4514849E-01 Ec_ueg -0.6734529E-02 Delta_ex -0.4910482E-01 Delta_ec 0.1279988E-01 Delta_et -0.1652573E+00 Pxc 0.6704031E+01 Qxc -0.3836351E+01 3,-1 169 3 -1 1.815155 -0.588588 -2.826283 Rho 0.1144236E+00 |GRAD(Rho)| 0.3672138E-15 GRAD(Rho)x 0.1826610E-15 GRAD(Rho)y 0.2496376E-15 GRAD(Rho)z 0.1978940E-15 Laplacian 0.4945880E+00 (-1/4)Del**2(Rho)) -0.1236470E+00 Diamond 0.7465051E+00 Metallicity 0.3757472E+01 Ellipticity 0.1561095E-01 Gb(Abramov) 0.1598647E+00 Vb(Abramov) -0.1960824E+00 Hb(Abramov) -0.3621770E-01 Ex_ueg -0.4102728E-01 Ec_ueg -0.6206778E-02 Delta_ex -0.5007715E-01 Delta_ec 0.1396499E-01 Delta_et -0.1788630E+00 Pxc 0.6610076E+01 Qxc -0.3585908E+01 3,-1 170 3 -1 2.833998 0.580642 1.837627 Rho 0.1028079E+00 |GRAD(Rho)| 0.1189768E-09 GRAD(Rho)x 0.2713938E-10 GRAD(Rho)y 0.7661623E-10 GRAD(Rho)z -0.8688427E-10 Laplacian 0.4464451E+00 (-1/4)Del**2(Rho)) -0.1116113E+00 Diamond 0.5954079E+00 Metallicity 0.3482483E+01 Ellipticity 0.1961935E-01 Gb(Abramov) 0.1391882E+00 Vb(Abramov) -0.1667652E+00 Hb(Abramov) -0.2757697E-01 Ex_ueg -0.3557024E-01 Ec_ueg -0.5495454E-02 Delta_ex -0.4414030E-01 Delta_ec 0.1299977E-01 Delta_et -0.1631688E+00 Pxc 0.6472667E+01 Qxc -0.3395467E+01 3,-1 171 3 -1 2.004808 0.880106 -3.048240 Rho 0.1071395E+00 |GRAD(Rho)| 0.5207436E-14 GRAD(Rho)x 0.2379322E-14 GRAD(Rho)y -0.4233742E-14 GRAD(Rho)z 0.1879268E-14 Laplacian 0.4441871E+00 (-1/4)Del**2(Rho)) -0.1110468E+00 Diamond 0.6188720E+00 Metallicity 0.3749412E+01 Ellipticity 0.9999161E-02 Gb(Abramov) 0.1434245E+00 Vb(Abramov) -0.1758023E+00 Hb(Abramov) -0.3237775E-01 Ex_ueg -0.3758239E-01 Ec_ueg -0.5759529E-02 Delta_ex -0.4428034E-01 Delta_ec 0.1271346E-01 Delta_et -0.1607644E+00 Pxc 0.6525254E+01 Qxc -0.3482949E+01 3,-1 172 3 -1 2.813838 -0.595738 -1.826125 Rho 0.1250626E+00 |GRAD(Rho)| 0.7179620E-14 GRAD(Rho)x -0.4667633E-14 GRAD(Rho)y -0.8604499E-16 GRAD(Rho)z -0.5454608E-14 Laplacian 0.5386346E+00 (-1/4)Del**2(Rho)) -0.1346587E+00 Diamond 0.9036362E+00 Metallicity 0.4001269E+01 Ellipticity 0.1241367E-01 Gb(Abramov) 0.1795734E+00 Vb(Abramov) -0.2244881E+00 Hb(Abramov) -0.4491471E-01 Ex_ueg -0.4619073E-01 Ec_ueg -0.6866837E-02 Delta_ex -0.5567970E-01 Delta_ec 0.1487751E-01 Delta_et -0.1936265E+00 Pxc 0.6726639E+01 Qxc -0.3742543E+01 3,-1 173 3 -1 3.029445 0.882530 -2.011740 Rho 0.1206247E+00 |GRAD(Rho)| 0.3113828E-12 GRAD(Rho)x -0.1025026E-12 GRAD(Rho)y -0.2358387E-12 GRAD(Rho)z -0.1755921E-12 Laplacian 0.4922588E+00 (-1/4)Del**2(Rho)) -0.1230647E+00 Diamond 0.7881817E+00 Metallicity 0.4122366E+01 Ellipticity 0.2035810E-01 Gb(Abramov) 0.1665961E+00 Vb(Abramov) -0.2101275E+00 Hb(Abramov) -0.4353138E-01 Ex_ueg -0.4401829E-01 Ec_ueg -0.6590542E-02 Delta_ex -0.5041789E-01 Delta_ec 0.1364982E-01 Delta_et -0.1764088E+00 Pxc 0.6679010E+01 Qxc -0.3693667E+01 3,-1 174 3 -1 2.811605 -1.846858 -0.561515 Rho 0.1437904E+00 |GRAD(Rho)| 0.1252095E-15 GRAD(Rho)x 0.3146897E-16 GRAD(Rho)y 0.1157928E-15 GRAD(Rho)z 0.3576512E-16 Laplacian 0.5973547E+00 (-1/4)Del**2(Rho)) -0.1493387E+00 Diamond 0.1146213E+01 Metallicity 0.4552647E+01 Ellipticity 0.1384968E-01 Gb(Abramov) 0.2128735E+00 Vb(Abramov) -0.2764083E+00 Hb(Abramov) -0.6353483E-01 Ex_ueg -0.5563630E-01 Ec_ueg -0.8047202E-02 Delta_ex -0.6344264E-01 Delta_ec 0.1523276E-01 Delta_et -0.2013793E+00 Pxc 0.6913744E+01 Qxc -0.4164882E+01 3,-1 175 3 -1 3.045841 -2.030695 0.841930 Rho 0.1615475E+00 |GRAD(Rho)| 0.2249879E-12 GRAD(Rho)x -0.9133101E-13 GRAD(Rho)y -0.1236266E-12 GRAD(Rho)z -0.1643005E-12 Laplacian 0.6252227E+00 (-1/4)Del**2(Rho)) -0.1563057E+00 Diamond 0.1384263E+01 Metallicity 0.5281358E+01 Ellipticity 0.3182210E-01 Gb(Abramov) 0.2417882E+00 Vb(Abramov) -0.3272707E+00 Hb(Abramov) -0.8548249E-01 Ex_ueg -0.6498087E-01 Ec_ueg -0.9186774E-02 Delta_ex -0.6837735E-01 Delta_ec 0.1555791E-01 Delta_et -0.2091208E+00 Pxc 0.7073306E+01 Qxc -0.4395020E+01 3,-1 176 3 -1 3.041192 -0.884598 2.007895 Rho 0.1037284E+00 |GRAD(Rho)| 0.5407938E-14 GRAD(Rho)x 0.4749016E-14 GRAD(Rho)y 0.3813139E-15 GRAD(Rho)z 0.2558758E-14 Laplacian 0.4312002E+00 (-1/4)Del**2(Rho)) -0.1078000E+00 Diamond 0.5788208E+00 Metallicity 0.3659573E+01 Ellipticity 0.6365616E-02 Gb(Abramov) 0.1376171E+00 Vb(Abramov) -0.1674341E+00 Hb(Abramov) -0.2981701E-01 Ex_ueg -0.3599554E-01 Ec_ueg -0.5551454E-02 Delta_ex -0.4268068E-01 Delta_ec 0.1245965E-01 Delta_et -0.1565829E+00 Pxc 0.6483984E+01 Qxc -0.3425510E+01 3,-1 177 3 -1 3.219247 3.236493 0.076362 Rho 0.2336189E+00 |GRAD(Rho)| 0.2603893E-15 GRAD(Rho)x -0.1785681E-15 GRAD(Rho)y -0.7237050E-16 GRAD(Rho)z -0.1751529E-15 Laplacian 0.8541968E+00 (-1/4)Del**2(Rho)) -0.2135492E+00 Diamond 0.2923728E+01 Metallicity 0.7148835E+01 Ellipticity 0.2183555E-02 Gb(Abramov) 0.3968042E+00 Vb(Abramov) -0.5800591E+00 Hb(Abramov) -0.1832550E+00 Ex_ueg -0.1062664E+00 Ec_ueg -0.1399912E-01 Delta_ex -0.1024766E+00 Delta_ec 0.1901129E-01 Delta_et -0.2630340E+00 Pxc 0.7590929E+01 Qxc -0.5390300E+01 3,-1 178 3 -1 3.258314 -0.066597 -3.249310 Rho 0.2127542E+00 |GRAD(Rho)| 0.1653259E-10 GRAD(Rho)x -0.1149129E-10 GRAD(Rho)y 0.2900752E-11 GRAD(Rho)z 0.1152659E-10 Laplacian 0.7988139E+00 (-1/4)Del**2(Rho)) -0.1997035E+00 Diamond 0.2440505E+01 Metallicity 0.6540804E+01 Ellipticity 0.2240115E-02 Gb(Abramov) 0.3508392E+00 Vb(Abramov) -0.5019749E+00 Hb(Abramov) -0.1511357E+00 Ex_ueg -0.9380427E-01 Ec_ueg -0.1257606E-01 Delta_ex -0.9352185E-01 Delta_ec 0.1823267E-01 Delta_et -0.2509039E+00 Pxc 0.7458955E+01 Qxc -0.5129356E+01 3,-1 179 3 -1 3.293745 0.038650 3.262632 Rho 0.2117250E+00 |GRAD(Rho)| 0.2545638E-15 GRAD(Rho)x -0.1562335E-15 GRAD(Rho)y 0.5651404E-17 GRAD(Rho)z 0.2009027E-15 Laplacian 0.7930336E+00 (-1/4)Del**2(Rho)) -0.1982584E+00 Diamond 0.2411596E+01 Metallicity 0.6535443E+01 Ellipticity 0.2214141E-02 Gb(Abramov) 0.3481233E+00 Vb(Abramov) -0.4979883E+00 Hb(Abramov) -0.1498649E+00 Ex_ueg -0.9319969E-01 Ec_ueg -0.1250648E-01 Delta_ex -0.9274707E-01 Delta_ec 0.1815731E-01 Delta_et -0.2499088E+00 Pxc 0.7452111E+01 Qxc -0.5107975E+01 3,-1 180 3 -1 3.226292 -3.245238 -0.078573 Rho 0.2347146E+00 |GRAD(Rho)| 0.9700842E-14 GRAD(Rho)x -0.7644872E-14 GRAD(Rho)y -0.4765069E-14 GRAD(Rho)z 0.3599497E-14 Laplacian 0.8534188E+00 (-1/4)Del**2(Rho)) -0.2133547E+00 Diamond 0.2941628E+01 Metallicity 0.7211372E+01 Ellipticity 0.2232111E-02 Gb(Abramov) 0.3986665E+00 Vb(Abramov) -0.5839783E+00 Hb(Abramov) -0.1853118E+00 Ex_ueg -0.1069314E+00 Ec_ueg -0.1407452E-01 Delta_ex -0.1025304E+00 Delta_ec 0.1900778E-01 Delta_et -0.2632062E+00 Pxc 0.7597519E+01 Qxc -0.5394128E+01 3,-1 181 3 -1 -2.832484 -1.815345 0.565834 Rho 0.1602797E+00 |GRAD(Rho)| 0.1269938E-15 GRAD(Rho)x 0.1259369E-15 GRAD(Rho)y -0.1610040E-16 GRAD(Rho)z 0.2846031E-17 Laplacian 0.6546701E+00 (-1/4)Del**2(Rho)) -0.1636675E+00 Diamond 0.1426870E+01 Metallicity 0.4977997E+01 Ellipticity 0.1210982E-01 Gb(Abramov) 0.2449011E+00 Vb(Abramov) -0.3261347E+00 Hb(Abramov) -0.8123357E-01 Ex_ueg -0.6430177E-01 Ec_ueg -0.9104774E-02 Delta_ex -0.7137649E-01 Delta_ec 0.1617775E-01 Delta_et -0.2168662E+00 Pxc 0.7062423E+01 Qxc -0.4412015E+01 3,-1 182 3 -1 0.617434 1.860064 2.887602 Rho 0.1351823E+00 |GRAD(Rho)| 0.2177269E-15 GRAD(Rho)x 0.6605502E-16 GRAD(Rho)y -0.2066489E-15 GRAD(Rho)z 0.1838400E-16 Laplacian 0.5707654E+00 (-1/4)Del**2(Rho)) -0.1426914E+00 Diamond 0.1044627E+01 Metallicity 0.4298880E+01 Ellipticity 0.1850658E-01 Gb(Abramov) 0.1973631E+00 Vb(Abramov) -0.2520348E+00 Hb(Abramov) -0.5467171E-01 Ex_ueg -0.5124029E-01 Ec_ueg -0.7501827E-02 Delta_ex -0.6003075E-01 Delta_ec 0.1534178E-01 Delta_et -0.2020761E+00 Pxc 0.6830375E+01 Qxc -0.3912893E+01 3,-1 183 3 -1 1.826804 2.802079 0.556629 Rho 0.1558510E+00 |GRAD(Rho)| 0.2293855E-15 GRAD(Rho)x 0.1979753E-15 GRAD(Rho)y 0.8210121E-16 GRAD(Rho)z 0.8174884E-16 Laplacian 0.6433401E+00 (-1/4)Del**2(Rho)) -0.1608350E+00 Diamond 0.1354103E+01 Metallicity 0.4834543E+01 Ellipticity 0.9938074E-02 Gb(Abramov) 0.2368173E+00 Vb(Abramov) -0.3127996E+00 Hb(Abramov) -0.7598229E-01 Ex_ueg -0.6194383E-01 Ec_ueg -0.8819111E-02 Delta_ex -0.6963970E-01 Delta_ec 0.1598282E-01 Delta_et -0.2134205E+00 Pxc 0.7023817E+01 Qxc -0.4357159E+01 3,-1 184 3 -1 2.831062 1.829825 0.569407 Rho 0.1634402E+00 |GRAD(Rho)| 0.4622640E-15 GRAD(Rho)x 0.1881768E-15 GRAD(Rho)y -0.3932130E-15 GRAD(Rho)z 0.1538212E-15 Laplacian 0.6681764E+00 (-1/4)Del**2(Rho)) -0.1670441E+00 Diamond 0.1489844E+01 Metallicity 0.5038718E+01 Ellipticity 0.1252148E-01 Gb(Abramov) 0.2516441E+00 Vb(Abramov) -0.3362440E+00 Hb(Abramov) -0.8459997E-01 Ex_ueg -0.6599790E-01 Ec_ueg -0.9309357E-02 Delta_ex -0.7319470E-01 Delta_ec 0.1641321E-01 Delta_et -0.2205088E+00 Pxc 0.7089415E+01 Qxc -0.4459498E+01 3,-1 185 3 -1 3.022116 2.025955 -0.847643 Rho 0.1416652E+00 |GRAD(Rho)| 0.4800732E-15 GRAD(Rho)x 0.9689379E-16 GRAD(Rho)y -0.2648028E-15 GRAD(Rho)z -0.3885374E-15 Laplacian 0.5532957E+00 (-1/4)Del**2(Rho)) -0.1383239E+00 Diamond 0.1043761E+01 Metallicity 0.4794700E+01 Ellipticity 0.2192905E-01 Gb(Abramov) 0.2027529E+00 Vb(Abramov) -0.2671819E+00 Hb(Abramov) -0.6442897E-01 Ex_ueg -0.5454264E-01 Ec_ueg -0.7912123E-02 Delta_ex -0.5855957E-01 Delta_ec 0.1417836E-01 Delta_et -0.1870695E+00 Pxc 0.6893553E+01 Qxc -0.4130208E+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 80 139 123 111 154 152 130 121 140 151 112 107 131 114 134 119 156 113 142 136 182 141 117 126 145 157 174 163 175 164 180 165 184 183 185 168 177 92 66 99 67 98 64 94 181 93 63 76 60 84 74 85 62 82 73 59 71 81 69 89 75 159 170 137 176 167 179 162 172 169 173 171 178 147 105 149 128 150 144 110 58 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 21 25 26 47 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 23 27 28 54 2.451890 1.979379 2.039316 1.985241 2.046604 1.792707 2.413546 1.909306 1.925991 1.943887 1.950441 1.751286 2.394909 1.907466 1.985285 1.901261 1.940466 1.750586 2.479971 1.952417 2.030666 1.981104 2.097053 1.790652 2.458329 1.932324 1.984008 1.896204 1.907633 1.752065 2.417780 1.883063 1.901417 1.949036 2.005003 1.753790 2.287565 1.887677 1.925957 1.877225 1.878285 1.916464 2.420293 1.890756 1.893603 1.956255 1.995264 1.753790 2.413583 2.048897 2.014478 1.994865 1.997978 1.788424 2.470809 2.045205 1.946660 2.094301 1.979802 1.790733 2.437893 2.056190 1.972428 2.062566 1.976391 1.791802 2.424756 1.980017 2.014805 2.005812 2.050199 1.789865 1.696101 1.702959 1.703687 1.715921 3.310568 3.216034 3.268687 0.978541 2.453939 1.979544 2.039527 1.985556 2.046909 1.792712 2.415110 1.909642 1.926450 1.944402 1.951044 1.751297 2.396753 1.907822 1.985696 1.901698 1.941080 1.750595 2.481763 1.952599 2.030878 1.981428 2.097269 1.790658 2.459913 1.932689 1.984406 1.896639 1.908143 1.752073 2.419257 1.883343 1.901727 1.949576 2.005569 1.753801 2.289171 1.888193 1.926553 1.877820 1.878907 1.917490 2.421785 1.891041 1.893909 1.956796 1.995835 1.753802 2.415897 2.049043 2.014769 1.995231 1.998341 1.788436 2.472699 2.045411 1.946851 2.094500 1.980120 1.790739 2.440032 2.056387 1.972603 2.062887 1.976706 1.791806 2.426744 1.980290 2.015094 2.006176 2.050508 1.789868 1.696107 1.702960 1.703692 1.715962 3.315835 3.218885 3.279576 0.978741 31 27 28 29 26 24 30 27 27 28 27 23 30 27 26 26 27 23 32 24 27 27 29 26 31 24 28 25 27 21 30 25 25 24 27 25 28 26 26 24 25 25 30 25 28 26 27 24 30 24 26 26 25 24 29 27 26 29 31 24 30 24 26 25 27 24 29 25 27 25 24 22 24 23 24 24 35 35 35 21 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 Ta W W Ta W W W W Ta Ta Ta Ta 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 H 2.2140 2.4397 2.4497 2.2079 2.4303 2.4405 2.5764 2.4389 2.2403 2.2122 2.2136 2.2297 -1.1033 -1.1203 -1.1217 -1.1183 -0.9802 -0.9908 -0.9606 -0.9767 -0.9820 -1.0188 -0.9829 -1.0194 -0.9577 -0.9792 -0.9822 -0.9716 -0.9958 -1.0127 -1.0126 -0.9723 -1.0378 -0.9939 -1.0395 -1.0063 -0.9940 -0.9720 -1.0009 -0.9912 -0.9435 -0.8393 -0.8355 -0.9381 -0.8437 -0.8484 -0.7730 -0.8487 -0.9272 -0.9378 -0.9404 -0.9332 2.5232 0.2872 2.1106 2.1022 2.0979 2.1114 2.1075 2.1041 2.0903 2.1042 2.0989 2.1094 2.1112 2.1019 1.9398 1.9371 1.9369 1.9360 1.9291 1.9269 1.9352 1.9299 1.9283 1.9231 1.9282 1.9233 1.9326 1.9291 1.9286 1.9289 1.9370 1.9348 1.9350 1.9409 1.9300 1.9380 1.9298 1.9354 1.9374 1.9420 1.9361 1.9377 1.9414 1.9587 1.9591 1.9428 1.9585 1.9579 1.8785 1.9578 1.9435 1.9428 1.9419 1.9426 0.8296 0.6053 6.0804 6.0988 6.0944 6.0813 6.1022 6.0996 6.0838 6.1002 6.0702 6.0794 6.0803 6.0732 5.1267 5.1450 5.1466 5.1449 5.0238 5.0371 4.9977 5.0194 5.0268 5.0711 5.0278 5.0716 4.9964 5.0229 5.0266 5.0141 5.0301 5.0503 5.0500 5.0022 5.0821 5.0268 5.0840 5.0424 5.0275 5.0011 5.0365 5.0242 4.9756 4.8474 4.8431 4.9685 4.8521 4.8578 4.8621 4.8580 4.9565 4.9682 4.9719 4.9637 1.1066 0.1074 2.5609 3.3298 3.3286 2.5655 3.3305 3.3264 3.2183 3.3272 2.5566 2.5652 2.5609 2.5610 0.0368 0.0381 0.0382 0.0374 0.0272 0.0268 0.0277 0.0274 0.0270 0.0245 0.0269 0.0245 0.0287 0.0272 0.0270 0.0285 0.0287 0.0276 0.0276 0.0293 0.0257 0.0291 0.0257 0.0284 0.0292 0.0289 0.0283 0.0293 0.0265 0.0332 0.0334 0.0268 0.0331 0.0328 0.0324 0.0328 0.0272 0.0268 0.0266 0.0270 10.5406 0.0000 14.0341 14.0295 14.0294 14.0339 14.0294 14.0295 14.0312 14.0295 14.0340 14.0339 14.0340 14.0342 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 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 54 Ta W W Ta W W W W Ta Ta Ta Ta 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 H 2.362783 2.500559 2.501628 2.356263 2.498522 2.496115 2.538574 2.496338 2.366367 2.356572 2.363267 2.365628 -1.094839 -1.095161 -1.094746 -1.090325 -1.006680 -1.012044 -0.972202 -1.003515 -1.006875 -1.047084 -1.005558 -1.048003 -0.975750 -1.005936 -1.008169 -0.990356 -0.999144 -1.012019 -1.011069 -0.975870 -1.046002 -0.993465 -1.047595 -1.005089 -0.988247 -0.969839 -1.003873 -0.985762 -1.028267 -0.884994 -0.879031 -1.020514 -0.889925 -0.895673 -0.579724 -0.896006 -1.005122 -1.020324 -1.024250 -1.014622 2.319085 0.111969 1.843741 1.928280 1.930921 1.839328 1.932087 1.926760 1.824928 1.926158 1.844178 1.840780 1.846883 1.843980 -0.729204 -0.726595 -0.725381 -0.709740 -0.774306 -0.765475 -0.713319 -0.773183 -0.773153 -0.810732 -0.768914 -0.812860 -0.699466 -0.767363 -0.767211 -0.737174 -0.843107 -0.851255 -0.850911 -0.799279 -0.887937 -0.842943 -0.885564 -0.848206 -0.821488 -0.791571 -0.844448 -0.821842 -0.968948 -0.801348 -0.791398 -0.957599 -0.805926 -0.812499 -0.763909 -0.813575 -0.937294 -0.957302 -0.963939 -0.949677 1.735097 0.402919 1.965483 2.041145 2.039698 1.955629 2.042611 2.039849 2.026627 2.040193 1.959592 1.960194 1.968873 1.961298 -0.806398 -0.798321 -0.797181 -0.788835 -0.850768 -0.852982 -0.826093 -0.848946 -0.852304 -0.902905 -0.849288 -0.904164 -0.807861 -0.845560 -0.847926 -0.821270 -0.869420 -0.891346 -0.888847 -0.830518 -0.930289 -0.866558 -0.934335 -0.879809 -0.859349 -0.821870 -0.874306 -0.858045 -0.941384 -0.765645 -0.756940 -0.931334 -0.772003 -0.777014 -0.757340 -0.777474 -0.911648 -0.929519 -0.935782 -0.925091 1.669474 0.416002 -8.32078652 7.47831334 -10.55839954 15.38312256 14.44810444 -35.05780320 10.38880695 27.63294528 -8.52492276 -42.08104972 -388.7877 431.7606 -18.1963 -435.4732 -75.6709 -486.3675 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:55 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:54:15 Nodes: 1 Procs: 1 Jun20-2024 20:54:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 20:54:24 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.43856938 -17.74481575 -17.77210252 -17.85481356 -17.86341568 -17.86887939 -17.87111676 -17.87239568 -17.87309571 -17.87321390 -17.87338359 -17.87352997 -17.87363086 -17.87367595 GEOMETRY CONVERGED