ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:59:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.49 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 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:59:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 1.91 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 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 Jun21-2024 08:59:41 Nodes: 1 Procs: 1 Jun21-2024 08:59:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:59:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.08 3.33 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 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 Jun21-2024 08:59:41 Nodes: 1 Procs: 1 Jun21-2024 08:59:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:59:45 Nodes: 1 Procs: 1 Jun21-2024 08:59:48 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:59:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 1.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 Jun21-2024 08:59:41 Nodes: 1 Procs: 1 Jun21-2024 08:59:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:59:45 Nodes: 1 Procs: 1 Jun21-2024 08:59:48 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:59:52 Nodes: 1 Procs: 1 Jun21-2024 08:59:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:59:57 Hydrogen (TZP) c3-27 c3-27 c3-27 c3-27 c3-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.57 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 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 Jun21-2024 08:59:41 Nodes: 1 Procs: 1 Jun21-2024 08:59:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:59:45 Nodes: 1 Procs: 1 Jun21-2024 08:59:48 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:59:52 Nodes: 1 Procs: 1 Jun21-2024 08:59:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:59:57 Nodes: 1 Procs: 1 Jun21-2024 08:59:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 09:00:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.893500000006 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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 Jun21-2024 08:59:48 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun21-2024 08:59:43 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun21-2024 08:59:59 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 08:59:54 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:59:38 1 1 Hydrogen TZP 1 1 -17.27968421 0.22437408 0.00100000 F 0.08260996 0.00066667 F 0.22437408 0.08260996 0.29801193 0.01000000 F 0.06604590 0.00666667 F Cartesian 2700.893500000006 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.727 -4.692 -4.651 -4.641 -4.567 -4.548 -4.499 -4.322 -4.226 -4.187 -1.271 -1.223 -1.054 -0.810 -0.733 -0.724 -0.476 -0.433 -0.310 -0.182 A A A A A A A A A A A A A A A A A A A A 0.00000000059613 0.00039816004855 0.00029507044214 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 73 73 73 73 73 73 73 33 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 0.126800 -2.611617 2.638261 2.523273 -2.704064 0.031645 2.571673 2.562532 -0.095733 -2.588031 -2.578788 -0.042206 -2.594590 0.075924 2.609739 2.655976 -0.203045 2.570078 2.727537 0.034033 -2.554512 -0.049001 -0.032321 -0.006650 0.129178 2.455755 -2.585140 -0.070328 2.538144 2.601149 -2.557279 2.597207 0.162443 -2.680745 -0.103134 -2.489144 0.951881 -1.009202 0.971658 -1.156665 -0.930174 -0.922863 0.974299 0.925020 -1.001325 -0.978901 1.005246 1.025665 -3.196631 -1.175133 1.221979 3.228549 -1.207801 -1.180495 -3.101703 1.187862 -1.129701 3.063117 1.242514 1.231394 1.397424 -1.294200 -3.181908 1.139688 1.244305 3.107125 -1.199325 1.053397 -2.980617 -1.233905 -1.176675 3.142010 -1.177877 2.919530 -1.158920 -1.244123 -3.107001 1.238758 1.043810 3.064665 1.156823 1.209862 -3.114633 -1.247097 3.515230 -1.566661 1.555295 -3.574215 -1.474128 -1.539169 3.487454 1.623613 -1.552204 -3.492847 1.610904 1.478015 1.511039 -1.500774 3.545569 1.464455 1.483861 -3.485862 -1.555490 1.647317 3.446317 -1.848945 -1.553253 -3.548907 -1.514545 -3.483261 -1.565772 -1.554903 3.497009 1.497017 1.521671 -3.524488 1.580745 1.403181 3.445149 -1.596034 -0.203569 -3.857698 3.916769 4.006794 -0.122219 -3.832898 -0.321009 3.640302 -3.816730 0.209452 3.840398 3.768686 3.804166 -3.980201 -0.227006 3.717183 3.930537 0.221893 -3.730362 3.850855 -0.249098 -3.879007 -3.839829 0.148424 -3.877927 0.369553 -3.698290 -3.868829 -0.113206 3.885332 3.883486 0.177643 3.853338 -1.611746 -2.283896 -2.899372 -0.533658 -3.287459 -1.412134 1.205178 -1.979412 -2.454040 1 3 -3 0.126800 -2.611617 2.638261 Rho 0.3882647E+07 3,-3 2 3 -3 2.523273 -2.704064 0.031645 Rho 0.3882647E+07 3,-3 3 3 -3 2.571673 2.562532 -0.095733 Rho 0.3882647E+07 3,-3 4 3 -3 -2.588031 -2.578788 -0.042206 Rho 0.3882647E+07 3,-3 5 3 -3 -2.594590 0.075924 2.609739 Rho 0.3882647E+07 3,-3 6 3 -3 2.655976 -0.203045 2.570078 Rho 0.3882647E+07 3,-3 7 3 -3 2.727537 0.034033 -2.554512 Rho 0.3882647E+07 3,-3 8 3 -3 -0.049001 -0.032321 -0.006650 Rho 0.4276087E+05 3,-3 9 3 -3 0.129178 2.455755 -2.585140 Rho 0.4361415E+07 3,-3 10 3 -3 -0.070328 2.538144 2.601149 Rho 0.4361415E+07 3,-3 11 3 -3 -2.557279 2.597207 0.162443 Rho 0.4361415E+07 3,-3 12 3 -3 -2.680745 -0.103134 -2.489144 Rho 0.4361415E+07 3,-3 13 3 -3 0.951881 -1.009202 0.971658 Rho 0.3190255E+03 3,-3 14 3 -3 -1.156665 -0.930174 -0.922863 Rho 0.3190192E+03 3,-3 15 3 -3 0.974299 0.925020 -1.001325 Rho 0.3190064E+03 3,-3 16 3 -3 -0.978901 1.005246 1.025665 Rho 0.3190002E+03 3,-3 17 3 -3 -3.196631 -1.175133 1.221979 Rho 0.3188158E+03 3,-3 18 3 -3 3.228549 -1.207801 -1.180495 Rho 0.3188173E+03 3,-3 19 3 -3 -3.101703 1.187862 -1.129701 Rho 0.3188726E+03 3,-3 20 3 -3 3.063117 1.242514 1.231394 Rho 0.3188047E+03 3,-3 21 3 -3 1.397424 -1.294200 -3.181908 Rho 0.3186671E+03 3,-3 22 3 -3 1.139688 1.244305 3.107125 Rho 0.3189318E+03 3,-3 23 3 -3 -1.199325 1.053397 -2.980617 Rho 0.3188637E+03 3,-3 24 3 -3 -1.233905 -1.176675 3.142010 Rho 0.3188213E+03 3,-3 25 3 -3 -1.177877 2.919530 -1.158920 Rho 0.3188618E+03 3,-3 26 3 -3 -1.244123 -3.107001 1.238758 Rho 0.3188162E+03 3,-3 27 3 -3 1.043810 3.064665 1.156823 Rho 0.3188604E+03 3,-3 28 3 -3 1.209862 -3.114633 -1.247097 Rho 0.3189723E+03 3,-3 29 3 -3 3.515230 -1.566661 1.555295 Rho 0.3188806E+03 3,-3 30 3 -3 -3.574215 -1.474128 -1.539169 Rho 0.3189221E+03 3,-3 31 3 -3 3.487454 1.623613 -1.552204 Rho 0.3188483E+03 3,-3 32 3 -3 -3.492847 1.610904 1.478015 Rho 0.3189218E+03 3,-3 33 3 -3 1.511039 -1.500774 3.545569 Rho 0.3188320E+03 3,-3 34 3 -3 1.464455 1.483861 -3.485862 Rho 0.3189277E+03 3,-3 35 3 -3 -1.555490 1.647317 3.446317 Rho 0.3188908E+03 3,-3 36 3 -3 -1.848945 -1.553253 -3.548907 Rho 0.3186978E+03 3,-3 37 3 -3 -1.514545 -3.483261 -1.565772 Rho 0.3186497E+03 3,-3 38 3 -3 -1.554903 3.497009 1.497017 Rho 0.3189362E+03 3,-3 39 3 -3 1.521671 -3.524488 1.580745 Rho 0.3188251E+03 3,-3 40 3 -3 1.403181 3.445149 -1.596034 Rho 0.3189162E+03 3,-3 41 3 -3 -0.203569 -3.857698 3.916769 Rho 0.3190392E+03 3,-3 42 3 -3 4.006794 -0.122219 -3.832898 Rho 0.3190392E+03 3,-3 43 3 -3 -0.321009 3.640302 -3.816730 Rho 0.3191822E+03 3,-3 44 3 -3 0.209452 3.840398 3.768686 Rho 0.3191630E+03 3,-3 45 3 -3 3.804166 -3.980201 -0.227006 Rho 0.3190108E+03 3,-3 46 3 -3 3.717183 3.930537 0.221893 Rho 0.3190517E+03 3,-3 47 3 -3 -3.730362 3.850855 -0.249098 Rho 0.3191872E+03 3,-3 48 3 -3 -3.879007 -3.839829 0.148424 Rho 0.3190483E+03 3,-3 49 3 -3 -3.877927 0.369553 -3.698290 Rho 0.3191865E+03 3,-3 50 3 -3 -3.868829 -0.113206 3.885332 Rho 0.3190511E+03 3,-3 51 3 -3 3.883486 0.177643 3.853338 Rho 0.3190399E+03 3,-3 52 3 -3 -1.611746 -2.283896 -2.899372 Rho 0.4346209E+00 3,-3 53 3 -3 -0.533658 -3.287459 -1.412134 Rho 0.4270853E+00 3,-3 54 3 -3 1.205178 -1.979412 -2.454040 Rho 0.4206964E+00 3,-3 55 3 +1 -1.793187 -0.478263 0.656614 Rho 0.8041115E-02 |GRAD(Rho)| 0.2115294E-13 GRAD(Rho)x 0.7902318E-14 GRAD(Rho)y -0.1929799E-13 GRAD(Rho)z 0.3547949E-14 Laplacian 0.2944993E-01 (-1/4)Del**2(Rho)) -0.7362484E-02 Diamond 0.6691849E-03 Metallicity 0.7551894E+00 Ellipticity -0.1409675E+01 Gb(Abramov) 0.5835001E-02 Vb(Abramov) -0.4307518E-02 Hb(Abramov) 0.1527483E-02 Ex_ueg -0.1189798E-02 Ec_ueg -0.2800438E-03 Delta_ex -0.1298126E-02 Delta_ec 0.3704175E-03 Delta_et -0.2524772E-02 Pxc 0.4248615E+01 Qxc -0.3504494E+01 3,+1 56 3 +1 -1.763496 0.623152 -0.435279 Rho 0.8593290E-02 |GRAD(Rho)| 0.1102771E-15 GRAD(Rho)x 0.7490186E-16 GRAD(Rho)y -0.2827573E-16 GRAD(Rho)z 0.7583690E-16 Laplacian 0.3383466E-01 (-1/4)Del**2(Rho)) -0.8458666E-02 Diamond 0.8805910E-03 Metallicity 0.7342610E+00 Ellipticity -0.1405693E+01 Gb(Abramov) 0.6674255E-02 Vb(Abramov) -0.4889845E-02 Hb(Abramov) 0.1784411E-02 Ex_ueg -0.1299963E-02 Ec_ueg -0.3046799E-03 Delta_ex -0.1534611E-02 Delta_ec 0.4568575E-03 Delta_et -0.3137618E-02 Pxc 0.4266652E+01 Qxc -0.3359059E+01 3,+1 57 3 +1 -1.524372 -1.900207 -1.936207 Rho 0.1174453E-01 |GRAD(Rho)| 0.2191794E-16 GRAD(Rho)x 0.9205794E-17 GRAD(Rho)y 0.1030320E-16 GRAD(Rho)z 0.1701451E-16 Laplacian 0.5210885E-01 (-1/4)Del**2(Rho)) -0.1302721E-01 Diamond 0.2067284E-02 Metallicity 0.8024678E+00 Ellipticity -0.1381169E+01 Gb(Abramov) 0.1042713E-01 Vb(Abramov) -0.7827044E-02 Hb(Abramov) 0.2600085E-02 Ex_ueg -0.1971662E-02 Ec_ueg -0.4477884E-03 Delta_ex -0.2558785E-02 Delta_ec 0.6976020E-03 Delta_et -0.5186866E-02 Pxc 0.4403111E+01 Qxc -0.3667972E+01 3,+1 58 3 +1 -0.549534 1.605257 -0.538679 Rho 0.9115077E-02 |GRAD(Rho)| 0.1201675E-16 GRAD(Rho)x -0.6693969E-17 GRAD(Rho)y 0.9849829E-17 GRAD(Rho)z 0.1604386E-17 Laplacian 0.3533525E-01 (-1/4)Del**2(Rho)) -0.8833812E-02 Diamond 0.1037690E-02 Metallicity 0.7756615E+00 Ellipticity -0.1493567E+01 Gb(Abramov) 0.7031216E-02 Vb(Abramov) -0.5228620E-02 Hb(Abramov) 0.1802596E-02 Ex_ueg -0.1406260E-02 Ec_ueg -0.3280846E-03 Delta_ex -0.1644109E-02 Delta_ec 0.5076646E-03 Delta_et -0.3513725E-02 Pxc 0.4286272E+01 Qxc -0.3238573E+01 3,+1 59 3 +3 -2.462360 0.096511 0.143314 Rho 0.4342605E-02 |GRAD(Rho)| 0.4774654E-17 GRAD(Rho)x -0.7672340E-18 GRAD(Rho)y -0.4457131E-17 GRAD(Rho)z -0.1530576E-17 Laplacian 0.1755430E-01 (-1/4)Del**2(Rho)) -0.4388576E-02 Diamond 0.1396365E-03 Metallicity 0.4537467E+00 Ellipticity -0.1648763E+00 Gb(Abramov) 0.3257601E-02 Vb(Abramov) -0.2126626E-02 Hb(Abramov) 0.1130975E-02 Ex_ueg -0.5232616E-03 Ec_ueg -0.1187330E-03 Delta_ex -0.6265172E-03 Delta_ec 0.1544503E-03 Delta_et -0.9671289E-03 Pxc 0.4407043E+01 Qxc -0.4056432E+01 3,+3 60 3 -1 -3.278132 -0.024606 3.294243 Rho 0.2001499E+00 |GRAD(Rho)| 0.3117497E-12 GRAD(Rho)x 0.2188875E-12 GRAD(Rho)y 0.3167047E-13 GRAD(Rho)z -0.2197114E-12 Laplacian 0.7561235E+00 (-1/4)Del**2(Rho)) -0.1890309E+00 Diamond 0.2156949E+01 Metallicity 0.6241363E+01 Ellipticity 0.2271431E-02 Gb(Abramov) 0.3226556E+00 Vb(Abramov) -0.4562804E+00 Hb(Abramov) -0.1336248E+00 Ex_ueg -0.8646870E-01 Ec_ueg -0.1172805E-01 Delta_ex -0.8721756E-01 Delta_ec 0.1767975E-01 Delta_et -0.2426819E+00 Pxc 0.7372812E+01 Qxc -0.4933190E+01 3,-1 61 3 +1 -3.082097 0.110790 0.137179 Rho 0.5066054E-02 |GRAD(Rho)| 0.2222521E-16 GRAD(Rho)x 0.4621237E-18 GRAD(Rho)y 0.1294311E-16 GRAD(Rho)z 0.1806163E-16 Laplacian 0.1979847E-01 (-1/4)Del**2(Rho)) -0.4949619E-02 Diamond 0.4772380E-03 Metallicity 0.5201130E+00 Ellipticity -0.5294721E+01 Gb(Abramov) 0.3728806E-02 Vb(Abramov) -0.2507993E-02 Hb(Abramov) 0.1220813E-02 Ex_ueg -0.6426060E-03 Ec_ueg -0.1497565E-03 Delta_ex -0.9935356E-03 Delta_ec 0.6353605E-03 Delta_et -0.3459353E-02 Pxc 0.4291007E+01 Qxc -0.1563735E+01 3,+1 62 3 -1 -1.752182 0.523874 1.779693 Rho 0.4084101E-01 |GRAD(Rho)| 0.1488186E-12 GRAD(Rho)x 0.9156477E-13 GRAD(Rho)y 0.1086144E-12 GRAD(Rho)z 0.4433710E-13 Laplacian 0.1705362E+00 (-1/4)Del**2(Rho)) -0.4263406E-01 Diamond 0.7039052E-01 Metallicity 0.1957150E+01 Ellipticity 0.1074276E-01 Gb(Abramov) 0.4232958E-01 Vb(Abramov) -0.4202510E-01 Hb(Abramov) 0.3044815E-03 Ex_ueg -0.1038756E-01 Ec_ueg -0.1915234E-02 Delta_ex -0.1361212E-01 Delta_ec 0.5565441E-02 Delta_et -0.5568308E-01 Pxc 0.5423652E+01 Qxc -0.2445829E+01 3,-1 63 3 -1 -3.056071 0.883651 2.008332 Rho 0.9287208E-01 |GRAD(Rho)| 0.5701553E-14 GRAD(Rho)x 0.2142519E-14 GRAD(Rho)y 0.2451008E-14 GRAD(Rho)z -0.4680799E-14 Laplacian 0.3858738E+00 (-1/4)Del**2(Rho)) -0.9646845E-01 Diamond 0.4530862E+00 Metallicity 0.3401286E+01 Ellipticity 0.3986660E-02 Gb(Abramov) 0.1189984E+00 Vb(Abramov) -0.1415284E+00 Hb(Abramov) -0.2252998E-01 Ex_ueg -0.3106218E-01 Ec_ueg -0.4895330E-02 Delta_ex -0.3723277E-01 Delta_ec 0.1141194E-01 Delta_et -0.1401599E+00 Pxc 0.6345268E+01 Qxc -0.3262615E+01 3,-1 64 3 -1 -3.095592 -1.992358 -0.831426 Rho 0.9362273E-01 |GRAD(Rho)| 0.2284964E-15 GRAD(Rho)x 0.8992102E-16 GRAD(Rho)y -0.1551493E-15 GRAD(Rho)z 0.1416104E-15 Laplacian 0.3887978E+00 (-1/4)Del**2(Rho)) -0.9719944E-01 Diamond 0.4630310E+00 Metallicity 0.3421303E+01 Ellipticity 0.8442212E-02 Gb(Abramov) 0.1202244E+00 Vb(Abramov) -0.1432494E+00 Hb(Abramov) -0.2302498E-01 Ex_ueg -0.3139738E-01 Ec_ueg -0.4940387E-02 Delta_ex -0.3762215E-01 Delta_ec 0.1154717E-01 Delta_et -0.1421355E+00 Pxc 0.6355248E+01 Qxc -0.3258128E+01 3,-1 65 3 +1 -2.268293 -2.154036 -2.041994 Rho 0.1207074E-01 |GRAD(Rho)| 0.1208985E-16 GRAD(Rho)x -0.3868345E-17 GRAD(Rho)y 0.2876786E-17 GRAD(Rho)z 0.1108713E-16 Laplacian 0.5028429E-01 (-1/4)Del**2(Rho)) -0.1257107E-01 Diamond 0.1769638E-02 Metallicity 0.8704370E+00 Ellipticity -0.1313556E+01 Gb(Abramov) 0.1020444E-01 Vb(Abramov) -0.7837799E-02 Hb(Abramov) 0.2366636E-02 Ex_ueg -0.2045017E-02 Ec_ueg -0.4628356E-03 Delta_ex -0.2400533E-02 Delta_ec 0.5187882E-03 Delta_et -0.3998218E-02 Pxc 0.4418452E+01 Qxc -0.4627193E+01 3,+1 66 3 +1 -1.858030 -1.793745 1.837516 Rho 0.1105559E-01 |GRAD(Rho)| 0.8820751E-14 GRAD(Rho)x 0.1942548E-14 GRAD(Rho)y -0.7208123E-14 GRAD(Rho)z -0.4698418E-14 Laplacian 0.4874229E-01 (-1/4)Del**2(Rho)) -0.1218557E-01 Diamond 0.1595768E-02 Metallicity 0.7756705E+00 Ellipticity -0.1265228E+01 Gb(Abramov) 0.9699047E-02 Vb(Abramov) -0.7212521E-02 Hb(Abramov) 0.2486526E-02 Ex_ueg -0.1818979E-02 Ec_ueg -0.4161493E-03 Delta_ex -0.2296526E-02 Delta_ec 0.5464602E-03 Delta_et -0.4084909E-02 Pxc 0.4370978E+01 Qxc -0.4202550E+01 3,+1 67 3 -1 -1.830599 -1.712910 -0.464033 Rho 0.5003169E-01 |GRAD(Rho)| 0.1070154E-15 GRAD(Rho)x -0.1021767E-15 GRAD(Rho)y -0.1161452E-16 GRAD(Rho)z 0.2961947E-16 Laplacian 0.2132641E+00 (-1/4)Del**2(Rho)) -0.5331601E-01 Diamond 0.1163387E+00 Metallicity 0.2195015E+01 Ellipticity 0.1984938E-01 Gb(Abramov) 0.5504892E-01 Vb(Abramov) -0.5678182E-01 Hb(Abramov) -0.1732902E-02 Ex_ueg -0.1361587E-01 Ec_ueg -0.2416626E-02 Delta_ex -0.1790747E-01 Delta_ec 0.6979954E-02 Delta_et -0.7379274E-01 Pxc 0.5634247E+01 Qxc -0.2565557E+01 3,-1 68 3 -1 -2.901799 -1.831254 0.628994 Rho 0.1252751E+00 |GRAD(Rho)| 0.9385169E-13 GRAD(Rho)x 0.7014794E-13 GRAD(Rho)y -0.5925262E-13 GRAD(Rho)z 0.1940445E-13 Laplacian 0.5259849E+00 (-1/4)Del**2(Rho)) -0.1314962E+00 Diamond 0.8808725E+00 Metallicity 0.4109108E+01 Ellipticity 0.1414936E-01 Gb(Abramov) 0.1777195E+00 Vb(Abramov) -0.2239428E+00 Hb(Abramov) -0.4622330E-01 Ex_ueg -0.4629541E-01 Ec_ueg -0.6880100E-02 Delta_ex -0.5435165E-01 Delta_ec 0.1444676E-01 Delta_et -0.1879489E+00 Pxc 0.6728886E+01 Qxc -0.3762204E+01 3,-1 69 3 -1 -3.189723 3.273148 -0.058577 Rho 0.2262382E+00 |GRAD(Rho)| 0.1875968E-15 GRAD(Rho)x -0.1773755E-15 GRAD(Rho)y -0.5854692E-17 GRAD(Rho)z 0.6079664E-16 Laplacian 0.8377816E+00 (-1/4)Del**2(Rho)) -0.2094454E+00 Diamond 0.2759875E+01 Metallicity 0.6909164E+01 Ellipticity 0.3302580E-02 Gb(Abramov) 0.3808124E+00 Vb(Abramov) -0.5521794E+00 Hb(Abramov) -0.1713670E+00 Ex_ueg -0.1018137E+00 Ec_ueg -0.1349299E-01 Delta_ex -0.9967777E-01 Delta_ec 0.1883088E-01 Delta_et -0.2602018E+00 Pxc 0.7545676E+01 Qxc -0.5293314E+01 3,-1 70 3 +1 -2.338940 -1.412884 -0.993540 Rho 0.2732304E-01 |GRAD(Rho)| 0.9587218E-16 GRAD(Rho)x -0.8741945E-16 GRAD(Rho)y -0.2400579E-16 GRAD(Rho)z -0.3119355E-16 Laplacian 0.1065643E+00 (-1/4)Del**2(Rho)) -0.2664107E-01 Diamond 0.1338188E-01 Metallicity 0.1602814E+01 Ellipticity -0.2299351E+01 Gb(Abramov) 0.2487750E-01 Vb(Abramov) -0.2311392E-01 Hb(Abramov) 0.1763577E-02 Ex_ueg -0.6077949E-02 Ec_ueg -0.1206372E-02 Delta_ex -0.6558747E-02 Delta_ec 0.1400154E-02 Delta_et -0.1269673E-01 Pxc 0.5038204E+01 Qxc -0.4684305E+01 3,+1 71 3 +1 1.757622 -0.601631 -0.554102 Rho 0.6730544E-02 |GRAD(Rho)| 0.8132104E-11 GRAD(Rho)x 0.3406549E-11 GRAD(Rho)y 0.2185669E-11 GRAD(Rho)z -0.7053325E-11 Laplacian 0.2484902E-01 (-1/4)Del**2(Rho)) -0.6212255E-02 Diamond 0.4688040E-03 Metallicity 0.6653561E+00 Ellipticity -0.1391279E+01 Gb(Abramov) 0.4830397E-02 Vb(Abramov) -0.3448539E-02 Hb(Abramov) 0.1381858E-02 Ex_ueg -0.9385381E-03 Ec_ueg -0.2221288E-03 Delta_ex -0.1062898E-02 Delta_ec 0.3411722E-03 Delta_et -0.2195723E-02 Pxc 0.4225198E+01 Qxc -0.3115430E+01 3,+1 72 3 -1 -3.142888 -0.837255 -1.973219 Rho 0.1643323E+00 |GRAD(Rho)| 0.5584711E-15 GRAD(Rho)x 0.3141747E-15 GRAD(Rho)y 0.3544799E-15 GRAD(Rho)z -0.2958517E-15 Laplacian 0.6306464E+00 (-1/4)Del**2(Rho)) -0.1576616E+00 Diamond 0.1426537E+01 Metallicity 0.5387229E+01 Ellipticity 0.3628046E-01 Gb(Abramov) 0.2466676E+00 Vb(Abramov) -0.3356735E+00 Hb(Abramov) -0.8900598E-01 Ex_ueg -0.6647866E-01 Ec_ueg -0.9367212E-02 Delta_ex -0.6927565E-01 Delta_ec 0.1564531E-01 Delta_et -0.2107964E+00 Pxc 0.7096952E+01 Qxc -0.4427887E+01 3,-1 73 3 -1 -2.904784 -0.588053 1.868576 Rho 0.1324192E+00 |GRAD(Rho)| 0.3742489E-15 GRAD(Rho)x -0.2984266E-16 GRAD(Rho)y -0.2921925E-15 GRAD(Rho)z -0.2319379E-15 Laplacian 0.5547290E+00 (-1/4)Del**2(Rho)) -0.1386823E+00 Diamond 0.9892101E+00 Metallicity 0.4273503E+01 Ellipticity 0.1693409E-01 Gb(Abramov) 0.1912313E+00 Vb(Abramov) -0.2437804E+00 Hb(Abramov) -0.5254909E-01 Ex_ueg -0.4984862E-01 Ec_ueg -0.7327778E-02 Delta_ex -0.5804129E-01 Delta_ec 0.1495905E-01 Delta_et -0.1963195E+00 Pxc 0.6802692E+01 Qxc -0.3880013E+01 3,-1 74 3 +1 0.062410 -3.059082 0.095761 Rho 0.4394329E-02 |GRAD(Rho)| 0.2470912E-17 GRAD(Rho)x -0.2078389E-18 GRAD(Rho)y 0.2191592E-18 GRAD(Rho)z 0.2452382E-17 Laplacian 0.1621788E-01 (-1/4)Del**2(Rho)) -0.4054471E-02 Diamond 0.2855990E-03 Metallicity 0.5009256E+00 Ellipticity -0.2337302E+01 Gb(Abramov) 0.3041478E-02 Vb(Abramov) -0.2028486E-02 Hb(Abramov) 0.1012992E-02 Ex_ueg -0.5315879E-03 Ec_ueg -0.1209421E-03 Delta_ex -0.7509976E-03 Delta_ec 0.4469609E-03 Delta_et -0.2361006E-02 Pxc 0.4395391E+01 Qxc -0.1680231E+01 3,+1 75 3 -1 -0.599321 -2.865222 1.895965 Rho 0.1138575E+00 |GRAD(Rho)| 0.1999342E-09 GRAD(Rho)x -0.1357879E-09 GRAD(Rho)y -0.4721671E-10 GRAD(Rho)z -0.1389458E-09 Laplacian 0.4832074E+00 (-1/4)Del**2(Rho)) -0.1208019E+00 Diamond 0.7255638E+00 Metallicity 0.3814309E+01 Ellipticity 0.2157068E-01 Gb(Abramov) 0.1573305E+00 Vb(Abramov) -0.1938592E+00 Hb(Abramov) -0.3652865E-01 Ex_ueg -0.4075687E-01 Ec_ueg -0.6171881E-02 Delta_ex -0.4887628E-01 Delta_ec 0.1367372E-01 Delta_et -0.1749901E+00 Pxc 0.6603638E+01 Qxc -0.3574467E+01 3,-1 76 3 -1 -3.325906 0.150596 -3.141091 Rho 0.2257896E+00 |GRAD(Rho)| 0.2472312E-15 GRAD(Rho)x -0.6337162E-16 GRAD(Rho)y 0.5700193E-16 GRAD(Rho)z -0.2320735E-15 Laplacian 0.8464797E+00 (-1/4)Del**2(Rho)) -0.2116199E+00 Diamond 0.2775745E+01 Metallicity 0.6815588E+01 Ellipticity 0.4835951E-02 Gb(Abramov) 0.3814656E+00 Vb(Abramov) -0.5513113E+00 Hb(Abramov) -0.1698457E+00 Ex_ueg -0.1015447E+00 Ec_ueg -0.1346233E-01 Delta_ex -0.1006254E+00 Delta_ec 0.1897404E-01 Delta_et -0.2618959E+00 Pxc 0.7542876E+01 Qxc -0.5303319E+01 3,-1 77 3 +1 -0.245544 2.944283 0.178289 Rho 0.6070848E-02 |GRAD(Rho)| 0.2516868E-17 GRAD(Rho)x -0.1358834E-17 GRAD(Rho)y 0.6531433E-18 GRAD(Rho)z 0.2015341E-17 Laplacian 0.2504417E-01 (-1/4)Del**2(Rho)) -0.6261042E-02 Diamond 0.7022726E-03 Metallicity 0.5558899E+00 Ellipticity -0.2740954E+01 Gb(Abramov) 0.4754103E-02 Vb(Abramov) -0.3247164E-02 Hb(Abramov) 0.1506939E-02 Ex_ueg -0.8179326E-03 Ec_ueg -0.1932829E-03 Delta_ex -0.1253266E-02 Delta_ec 0.7169927E-03 Delta_et -0.4155259E-02 Pxc 0.4231790E+01 Qxc -0.1747948E+01 3,+1 78 3 +1 -1.133709 2.230803 1.364478 Rho 0.2677006E-01 |GRAD(Rho)| 0.1476369E-15 GRAD(Rho)x 0.2546652E-16 GRAD(Rho)y 0.1256298E-15 GRAD(Rho)z 0.7324799E-16 Laplacian 0.1043339E+00 (-1/4)Del**2(Rho)) -0.2608347E-01 Diamond 0.1465906E-01 Metallicity 0.1582232E+01 Ellipticity -0.3604990E+01 Gb(Abramov) 0.2426733E-01 Vb(Abramov) -0.2245119E-01 Hb(Abramov) 0.1816140E-02 Ex_ueg -0.5914494E-02 Ec_ueg -0.1178241E-02 Delta_ex -0.6575755E-02 Delta_ec 0.1711249E-02 Delta_et -0.1536972E-01 Pxc 0.5019768E+01 Qxc -0.3842663E+01 3,+1 79 3 +1 -1.813919 1.696390 -1.752295 Rho 0.1236541E-01 |GRAD(Rho)| 0.6018796E-17 GRAD(Rho)x 0.3501952E-17 GRAD(Rho)y 0.1633982E-17 GRAD(Rho)z -0.4614362E-17 Laplacian 0.6150545E-01 (-1/4)Del**2(Rho)) -0.1537636E-01 Diamond 0.2517848E-02 Metallicity 0.7408219E+00 Ellipticity -0.1251598E+01 Gb(Abramov) 0.1214943E-01 Vb(Abramov) -0.8922503E-02 Hb(Abramov) 0.3226930E-02 Ex_ueg -0.2111850E-02 Ec_ueg -0.4764638E-03 Delta_ex -0.3033368E-02 Delta_ec 0.7734508E-03 Delta_et -0.5861052E-02 Pxc 0.4432341E+01 Qxc -0.3921863E+01 3,+1 80 3 +3 -1.173657 -1.134937 1.191387 Rho 0.4764773E-02 |GRAD(Rho)| 0.7769851E-13 GRAD(Rho)x -0.3326141E-13 GRAD(Rho)y 0.1490905E-14 GRAD(Rho)z -0.7020338E-13 Laplacian 0.1682920E-01 (-1/4)Del**2(Rho)) -0.4207300E-02 Diamond 0.1047689E-03 Metallicity 0.5524420E+00 Ellipticity -0.1807135E+00 Gb(Abramov) 0.3192248E-02 Vb(Abramov) -0.2177197E-02 Hb(Abramov) 0.1015052E-02 Ex_ueg -0.5921631E-03 Ec_ueg -0.1368041E-03 Delta_ex -0.5685232E-03 Delta_ec 0.6485070E-04 Delta_et -0.5361110E-03 Pxc 0.4328548E+01 Qxc -0.8766647E+01 3,+3 81 3 -1 -2.831117 1.845355 -0.521981 Rho 0.1247150E+00 |GRAD(Rho)| 0.1304293E-13 GRAD(Rho)x 0.5726658E-14 GRAD(Rho)y -0.1166635E-13 GRAD(Rho)z -0.1104355E-14 Laplacian 0.5171535E+00 (-1/4)Del**2(Rho)) -0.1292884E+00 Diamond 0.8409493E+00 Metallicity 0.4148184E+01 Ellipticity 0.1383689E-01 Gb(Abramov) 0.1755776E+00 Vb(Abramov) -0.2218668E+00 Hb(Abramov) -0.4628921E-01 Ex_ueg -0.4601964E-01 Ec_ueg -0.6845148E-02 Delta_ex -0.5312119E-01 Delta_ec 0.1375309E-01 Delta_et -0.1779980E+00 Pxc 0.6722958E+01 Qxc -0.3862491E+01 3,-1 82 3 +1 -2.221210 1.052695 1.468695 Rho 0.2445362E-01 |GRAD(Rho)| 0.3986558E-16 GRAD(Rho)x -0.3819887E-16 GRAD(Rho)y 0.4025594E-17 GRAD(Rho)z -0.1067264E-16 Laplacian 0.9105048E-01 (-1/4)Del**2(Rho)) -0.2276262E-01 Diamond 0.9682782E-02 Metallicity 0.1559203E+01 Ellipticity -0.2249719E+01 Gb(Abramov) 0.2109034E-01 Vb(Abramov) -0.1941806E-01 Hb(Abramov) 0.1672281E-02 Ex_ueg -0.5242147E-02 Ec_ueg -0.1061244E-02 Delta_ex -0.5420511E-02 Delta_ec 0.1171844E-02 Delta_et -0.1038054E-01 Pxc 0.4939624E+01 Qxc -0.4625625E+01 3,+1 83 3 -1 -3.044009 2.059104 0.863883 Rho 0.1638938E+00 |GRAD(Rho)| 0.3553523E-15 GRAD(Rho)x -0.6419832E-16 GRAD(Rho)y 0.6578397E-16 GRAD(Rho)z -0.3432584E-15 Laplacian 0.6336581E+00 (-1/4)Del**2(Rho)) -0.1584145E+00 Diamond 0.1422682E+01 Metallicity 0.5337801E+01 Ellipticity 0.3904234E-01 Gb(Abramov) 0.2465405E+00 Vb(Abramov) -0.3346665E+00 Hb(Abramov) -0.8812602E-01 Ex_ueg -0.6624225E-01 Ec_ueg -0.9338769E-02 Delta_ex -0.6950646E-01 Delta_ec 0.1563473E-01 Delta_et -0.2103332E+00 Pxc 0.7093252E+01 Qxc -0.4445645E+01 3,-1 84 3 -1 -2.011179 -3.044146 -0.838101 Rho 0.1059930E+00 |GRAD(Rho)| 0.1202810E-12 GRAD(Rho)x 0.5552373E-13 GRAD(Rho)y -0.6078136E-13 GRAD(Rho)z -0.8769407E-13 Laplacian 0.4067227E+00 (-1/4)Del**2(Rho)) -0.1016807E+00 Diamond 0.5640814E+00 Metallicity 0.4022012E+01 Ellipticity 0.7269093E-01 Gb(Abramov) 0.1359473E+00 Vb(Abramov) -0.1702139E+00 Hb(Abramov) -0.3426660E-01 Ex_ueg -0.3704714E-01 Ec_ueg -0.5689495E-02 Delta_ex -0.4051878E-01 Delta_ec 0.1180185E-01 Delta_et -0.1490925E+00 Pxc 0.6511498E+01 Qxc -0.3433257E+01 3,-1 85 3 -1 -1.869655 -2.849903 0.640393 Rho 0.1436510E+00 |GRAD(Rho)| 0.1295681E-15 GRAD(Rho)x 0.1975958E-16 GRAD(Rho)y 0.1450120E-17 GRAD(Rho)z -0.1280443E-15 Laplacian 0.6042766E+00 (-1/4)Del**2(Rho)) -0.1510691E+00 Diamond 0.1185185E+01 Metallicity 0.4493230E+01 Ellipticity 0.1594155E-01 Gb(Abramov) 0.2138442E+00 Vb(Abramov) -0.2766192E+00 Hb(Abramov) -0.6277503E-01 Ex_ueg -0.5556441E-01 Ec_ueg -0.8038336E-02 Delta_ex -0.6444790E-01 Delta_ec 0.1592240E-01 Delta_et -0.2115758E+00 Pxc 0.6912428E+01 Qxc -0.4047626E+01 3,-1 86 3 -1 -1.735846 1.765365 0.581436 Rho 0.4647394E-01 |GRAD(Rho)| 0.2675132E-16 GRAD(Rho)x -0.1242047E-16 GRAD(Rho)y -0.3497399E-17 GRAD(Rho)z -0.2343359E-16 Laplacian 0.1831032E+00 (-1/4)Del**2(Rho)) -0.4577580E-01 Diamond 0.8279546E-01 Metallicity 0.2260822E+01 Ellipticity 0.1888546E-01 Gb(Abramov) 0.4776569E-01 Vb(Abramov) -0.4975558E-01 Hb(Abramov) -0.1989890E-02 Ex_ueg -0.1234045E-01 Ec_ueg -0.2220914E-02 Delta_ex -0.1473849E-01 Delta_ec 0.5353475E-02 Delta_et -0.5535399E-01 Pxc 0.5556475E+01 Qxc -0.2753069E+01 3,-1 87 3 +1 -2.051739 2.055090 2.021540 Rho 0.1185962E-01 |GRAD(Rho)| 0.3120822E-14 GRAD(Rho)x 0.1851499E-14 GRAD(Rho)y -0.1734296E-14 GRAD(Rho)z -0.1817607E-14 Laplacian 0.5348929E-01 (-1/4)Del**2(Rho)) -0.1337232E-01 Diamond 0.1569003E-02 Metallicity 0.7945679E+00 Ellipticity -0.1070868E+01 Gb(Abramov) 0.1068575E-01 Vb(Abramov) -0.7999181E-02 Hb(Abramov) 0.2686571E-02 Ex_ueg -0.1997467E-02 Ec_ueg -0.4530925E-03 Delta_ex -0.2462571E-02 Delta_ec 0.4112680E-03 Delta_et -0.3293806E-02 Pxc 0.4408518E+01 Qxc -0.5987751E+01 3,+1 88 3 +3 -2.002476 2.002459 1.976115 Rho 0.1185223E-01 |GRAD(Rho)| 0.1442277E-15 GRAD(Rho)x 0.8712665E-16 GRAD(Rho)y -0.8799646E-16 GRAD(Rho)z -0.7394055E-16 Laplacian 0.5325240E-01 (-1/4)Del**2(Rho)) -0.1331310E-01 Diamond 0.1373209E-02 Metallicity 0.7972739E+00 Ellipticity -0.9125310E+00 Gb(Abramov) 0.1064443E-01 Vb(Abramov) -0.7975763E-02 Hb(Abramov) 0.2668669E-02 Ex_ueg -0.1995807E-02 Ec_ueg -0.4527518E-03 Delta_ex -0.2396151E-02 Delta_ec 0.3110970E-03 Delta_et -0.2619671E-02 Pxc 0.4408170E+01 Qxc -0.7702263E+01 3,+3 89 3 +3 -1.199941 1.080446 -1.084875 Rho 0.5314593E-02 |GRAD(Rho)| 0.1335292E-13 GRAD(Rho)x 0.1295768E-13 GRAD(Rho)y -0.2496680E-14 GRAD(Rho)z 0.2040936E-14 Laplacian 0.2111576E-01 (-1/4)Del**2(Rho)) -0.5278941E-02 Diamond 0.1656062E-03 Metallicity 0.5281895E+00 Ellipticity -0.2713091E+00 Gb(Abramov) 0.3984007E-02 Vb(Abramov) -0.2689074E-02 Hb(Abramov) 0.1294933E-02 Ex_ueg -0.6849808E-03 Ec_ueg -0.1604760E-03 Delta_ex -0.7465476E-03 Delta_ec 0.1010922E-03 Delta_et -0.7854759E-03 Pxc 0.4268430E+01 Qxc -0.7384820E+01 3,+3 90 3 -1 -0.105386 2.942721 0.039258 Rho 0.6103269E-02 |GRAD(Rho)| 0.1122684E-16 GRAD(Rho)x -0.8101621E-17 GRAD(Rho)y 0.5955462E-18 GRAD(Rho)z -0.7749251E-17 Laplacian 0.2423545E-01 (-1/4)Del**2(Rho)) -0.6058862E-02 Diamond 0.8381664E-03 Metallicity 0.5795616E+00 Ellipticity 0.2003372E+01 Gb(Abramov) 0.4624488E-02 Vb(Abramov) -0.3190115E-02 Hb(Abramov) 0.1434373E-02 Ex_ueg -0.8237619E-03 Ec_ueg -0.1946956E-03 Delta_ex -0.1323508E-02 Delta_ec 0.8891407E-03 Delta_et -0.5076571E-02 Pxc 0.4231025E+01 Qxc -0.1488524E+01 3,-1 91 3 -1 -2.012659 3.062209 0.875363 Rho 0.1614988E+00 |GRAD(Rho)| 0.3084263E-15 GRAD(Rho)x -0.1059130E-15 GRAD(Rho)y 0.1821731E-15 GRAD(Rho)z -0.2252159E-15 Laplacian 0.6309370E+00 (-1/4)Del**2(Rho)) -0.1577342E+00 Diamond 0.1392595E+01 Metallicity 0.5230896E+01 Ellipticity 0.6191561E-01 Gb(Abramov) 0.2426714E+00 Vb(Abramov) -0.3276086E+00 Hb(Abramov) -0.8493716E-01 Ex_ueg -0.6495474E-01 Ec_ueg -0.9183622E-02 Delta_ex -0.6896269E-01 Delta_ec 0.1563984E-01 Delta_et -0.2100563E+00 Pxc 0.7072889E+01 Qxc -0.4409423E+01 3,-1 92 3 +1 -0.626659 -1.698614 0.600354 Rho 0.7751262E-02 |GRAD(Rho)| 0.4487122E-13 GRAD(Rho)x 0.3832802E-13 GRAD(Rho)y -0.2109669E-13 GRAD(Rho)z -0.9965896E-14 Laplacian 0.2816558E-01 (-1/4)Del**2(Rho)) -0.7041395E-02 Diamond 0.6500076E-03 Metallicity 0.7427600E+00 Ellipticity -0.1477513E+01 Gb(Abramov) 0.5565941E-02 Vb(Abramov) -0.4090487E-02 Hb(Abramov) 0.1475454E-02 Ex_ueg -0.1132961E-02 Ec_ueg -0.2671667E-03 Delta_ex -0.1251251E-02 Delta_ec 0.3923792E-03 Delta_et -0.2614264E-02 Pxc 0.4240651E+01 Qxc -0.3188882E+01 3,+1 93 3 -1 -1.820824 2.751393 -0.541764 Rho 0.1415252E+00 |GRAD(Rho)| 0.1944611E-15 GRAD(Rho)x 0.1826068E-15 GRAD(Rho)y -0.6666488E-16 GRAD(Rho)z -0.5068645E-17 Laplacian 0.5930654E+00 (-1/4)Del**2(Rho)) -0.1482663E+00 Diamond 0.1112436E+01 Metallicity 0.4465807E+01 Ellipticity 0.1657650E-01 Gb(Abramov) 0.2091990E+00 Vb(Abramov) -0.2701318E+00 Hb(Abramov) -0.6093271E-01 Ex_ueg -0.5447073E-01 Ec_ueg -0.7903228E-02 Delta_ex -0.6269952E-01 Delta_ec 0.1510468E-01 Delta_et -0.1990572E+00 Pxc 0.6892213E+01 Qxc -0.4150999E+01 3,-1 94 3 -1 -2.232960 -0.877469 -3.031169 Rho 0.1344712E+00 |GRAD(Rho)| 0.2359929E-15 GRAD(Rho)x 0.8280594E-16 GRAD(Rho)y 0.2151193E-15 GRAD(Rho)z 0.5059158E-16 Laplacian 0.4979048E+00 (-1/4)Del**2(Rho)) -0.1244762E+00 Diamond 0.9001982E+00 Metallicity 0.4884823E+01 Ellipticity 0.1027232E+00 Gb(Abramov) 0.1843248E+00 Vb(Abramov) -0.2441735E+00 Hb(Abramov) -0.5984863E-01 Ex_ueg -0.5088119E-01 Ec_ueg -0.7456984E-02 Delta_ex -0.5223983E-01 Delta_ec 0.1329064E-01 Delta_et -0.1747002E+00 Pxc 0.6823294E+01 Qxc -0.3930574E+01 3,-1 95 3 +1 -0.574623 0.520444 -1.631730 Rho 0.9149425E-02 |GRAD(Rho)| 0.6881889E-15 GRAD(Rho)x -0.2259554E-15 GRAD(Rho)y 0.3966540E-15 GRAD(Rho)z -0.5149891E-15 Laplacian 0.3628069E-01 (-1/4)Del**2(Rho)) -0.9070174E-02 Diamond 0.1082051E-02 Metallicity 0.7601989E+00 Ellipticity -0.1481265E+01 Gb(Abramov) 0.7195972E-02 Vb(Abramov) -0.5321770E-02 Hb(Abramov) 0.1874202E-02 Ex_ueg -0.1413330E-02 Ec_ueg -0.3296294E-03 Delta_ex -0.1694322E-02 Delta_ec 0.5294825E-03 Delta_et -0.3661863E-02 Pxc 0.4287632E+01 Qxc -0.3199960E+01 3,+1 96 3 -1 -1.867094 -0.592021 2.882922 Rho 0.1461082E+00 |GRAD(Rho)| 0.2339953E-16 GRAD(Rho)x -0.2051853E-16 GRAD(Rho)y -0.1032703E-16 GRAD(Rho)z 0.4458781E-17 Laplacian 0.6096807E+00 (-1/4)Del**2(Rho)) -0.1524202E+00 Diamond 0.1215227E+01 Metallicity 0.4581087E+01 Ellipticity 0.1445234E-01 Gb(Abramov) 0.2179884E+00 Vb(Abramov) -0.2835567E+00 Hb(Abramov) -0.6556828E-01 Ex_ueg -0.5683527E-01 Ec_ueg -0.8194851E-02 Delta_ex -0.6523980E-01 Delta_ec 0.1590354E-01 Delta_et -0.2116627E+00 Pxc 0.6935485E+01 Qxc -0.4102219E+01 3,-1 97 3 +3 0.023204 2.256890 -0.039947 Rho 0.4833488E-02 |GRAD(Rho)| 0.4590788E-17 GRAD(Rho)x 0.1990060E-17 GRAD(Rho)y -0.4050713E-17 GRAD(Rho)z -0.8406657E-18 Laplacian 0.1983484E-01 (-1/4)Del**2(Rho)) -0.4958711E-02 Diamond 0.1708211E-03 Metallicity 0.4800489E+00 Ellipticity -0.3765069E+00 Gb(Abramov) 0.3702544E-02 Vb(Abramov) -0.2446378E-02 Hb(Abramov) 0.1256166E-02 Ex_ueg -0.6035769E-03 Ec_ueg -0.1397542E-03 Delta_ex -0.7163579E-03 Delta_ec 0.1542990E-03 Delta_et -0.1020309E-02 Pxc 0.4318847E+01 Qxc -0.4642662E+01 3,+3 98 3 -1 -1.880021 -0.502196 -1.667367 Rho 0.5323545E-01 |GRAD(Rho)| 0.3251242E-16 GRAD(Rho)x 0.3020096E-16 GRAD(Rho)y -0.6046121E-17 GRAD(Rho)z 0.1041173E-16 Laplacian 0.2138513E+00 (-1/4)Del**2(Rho)) -0.5346283E-01 Diamond 0.1185652E+00 Metallicity 0.2427558E+01 Ellipticity 0.2730576E-01 Gb(Abramov) 0.5727257E-01 Vb(Abramov) -0.6108231E-01 Hb(Abramov) -0.3809739E-02 Ex_ueg -0.1479062E-01 Ec_ueg -0.2594483E-02 Delta_ex -0.1790369E-01 Delta_ec 0.6405160E-02 Delta_et -0.6866266E-01 Pxc 0.5700796E+01 Qxc -0.2795198E+01 3,-1 99 3 +3 -0.212226 -0.562902 -2.604586 Rho 0.2791081E-02 |GRAD(Rho)| 0.5202804E-17 GRAD(Rho)x -0.3022172E-17 GRAD(Rho)y -0.2194490E-17 GRAD(Rho)z 0.3622134E-17 Laplacian 0.1087438E-01 (-1/4)Del**2(Rho)) -0.2718596E-02 Diamond 0.6844997E-04 Metallicity 0.3506141E+00 Ellipticity -0.7249837E+00 Gb(Abramov) 0.1971260E-02 Vb(Abramov) -0.1223925E-02 Hb(Abramov) 0.7473356E-03 Ex_ueg -0.2902340E-03 Ec_ueg -0.5312882E-04 Delta_ex -0.3895729E-03 Delta_ec 0.1710271E-03 Delta_et -0.8499254E-03 Pxc 0.5462836E+01 Qxc -0.2277843E+01 3,+3 100 3 -1 -1.596963 -2.679908 -2.446374 Rho 0.3890232E-01 |GRAD(Rho)| 0.7718063E-14 GRAD(Rho)x -0.7583410E-14 GRAD(Rho)y 0.1260117E-14 GRAD(Rho)z 0.6873857E-15 Laplacian 0.1041902E+00 (-1/4)Del**2(Rho)) -0.2604756E-01 Diamond 0.5591832E-01 Metallicity 0.2954010E+01 Ellipticity 0.2352430E-01 Gb(Abramov) 0.3018917E-01 Vb(Abramov) -0.3433077E-01 Hb(Abramov) -0.4141606E-02 Ex_ueg -0.9735369E-02 Ec_ueg -0.1811309E-02 Delta_ex -0.9162065E-02 Delta_ec 0.5085302E-02 Delta_et -0.5035117E-01 Pxc 0.5374771E+01 Qxc -0.1801676E+01 3,-1 101 3 -1 -1.888897 0.512451 -2.735393 Rho 0.1398559E+00 |GRAD(Rho)| 0.2914002E-15 GRAD(Rho)x 0.1975145E-15 GRAD(Rho)y 0.2074485E-15 GRAD(Rho)z -0.5354603E-16 Laplacian 0.5845504E+00 (-1/4)Del**2(Rho)) -0.1461376E+00 Diamond 0.1088042E+01 Metallicity 0.4442145E+01 Ellipticity 0.8069530E-02 Gb(Abramov) 0.2056191E+00 Vb(Abramov) -0.2651007E+00 Hb(Abramov) -0.5948154E-01 Ex_ueg -0.5361582E-01 Ec_ueg -0.7797345E-02 Delta_ex -0.6169807E-01 Delta_ec 0.1506970E-01 Delta_et -0.1985405E+00 Pxc 0.6876164E+01 Qxc -0.4094180E+01 3,-1 102 3 +1 0.288207 -1.396086 -1.749698 Rho 0.4465662E-02 |GRAD(Rho)| 0.2971069E-17 GRAD(Rho)x 0.5918544E-18 GRAD(Rho)y 0.2896182E-17 GRAD(Rho)z -0.2984819E-18 Laplacian 0.1739661E-01 (-1/4)Del**2(Rho)) -0.4349152E-02 Diamond 0.3305986E-03 Metallicity 0.4796874E+00 Ellipticity -0.2663985E+01 Gb(Abramov) 0.3247140E-02 Vb(Abramov) -0.2145128E-02 Hb(Abramov) 0.1102012E-02 Ex_ueg -0.5431246E-03 Ec_ueg -0.1239910E-03 Delta_ex -0.8270911E-03 Delta_ec 0.5132504E-03 Delta_et -0.2708376E-02 Pxc 0.4380355E+01 Qxc -0.1611477E+01 3,+1 103 3 +1 -0.575404 -0.575694 1.730435 Rho 0.7565136E-02 |GRAD(Rho)| 0.5672390E-13 GRAD(Rho)x 0.1902020E-13 GRAD(Rho)y 0.1782690E-13 GRAD(Rho)z -0.5037891E-13 Laplacian 0.2767146E-01 (-1/4)Del**2(Rho)) -0.6917866E-02 Diamond 0.6112868E-03 Metallicity 0.7260094E+00 Ellipticity -0.1445280E+01 Gb(Abramov) 0.5448983E-02 Vb(Abramov) -0.3980101E-02 Hb(Abramov) 0.1468883E-02 Ex_ueg -0.1096833E-02 Ec_ueg -0.2589181E-03 Delta_ex -0.1218330E-02 Delta_ec 0.3792526E-03 Delta_et -0.2516295E-02 Pxc 0.4236218E+01 Qxc -0.3212449E+01 3,+1 104 3 -1 -0.221964 -1.419170 -3.365047 Rho 0.5198121E-02 |GRAD(Rho)| 0.2711523E-17 GRAD(Rho)x 0.2160620E-17 GRAD(Rho)y 0.1115009E-17 GRAD(Rho)z 0.1200347E-17 Laplacian 0.1821574E-01 (-1/4)Del**2(Rho)) -0.4553934E-02 Diamond 0.6253208E-03 Metallicity 0.5900793E+00 Ellipticity 0.9210959E-01 Gb(Abramov) 0.3483820E-02 Vb(Abramov) -0.2413706E-02 Hb(Abramov) 0.1070114E-02 Ex_ueg -0.6650387E-03 Ec_ueg -0.1554487E-03 Delta_ex -0.1069218E-02 Delta_ec 0.8533990E-03 Delta_et -0.4576437E-02 Pxc 0.4278188E+01 Qxc -0.1252893E+01 3,-1 105 3 +1 -0.245801 -0.513019 -3.131310 Rho 0.3055492E-02 |GRAD(Rho)| 0.1576013E-17 GRAD(Rho)x 0.1281309E-17 GRAD(Rho)y 0.5800703E-18 GRAD(Rho)z 0.7110431E-18 Laplacian 0.1131995E-01 (-1/4)Del**2(Rho)) -0.2829987E-02 Diamond 0.1078576E-03 Metallicity 0.3916552E+00 Ellipticity -0.1488005E+01 Gb(Abramov) 0.2071388E-02 Vb(Abramov) -0.1312789E-02 Hb(Abramov) 0.7585992E-03 Ex_ueg -0.3274612E-03 Ec_ueg -0.6421709E-04 Delta_ex -0.4627233E-03 Delta_ec 0.2655591E-03 Delta_et -0.1280710E-02 Pxc 0.5099284E+01 Qxc -0.1742450E+01 3,+1 106 3 +3 0.037480 -0.039357 2.415699 Rho 0.3878734E-02 |GRAD(Rho)| 0.3289719E-14 GRAD(Rho)x -0.1485949E-14 GRAD(Rho)y 0.1590667E-14 GRAD(Rho)z -0.2466573E-14 Laplacian 0.1531639E-01 (-1/4)Del**2(Rho)) -0.3829098E-02 Diamond 0.1054954E-03 Metallicity 0.4307976E+00 Ellipticity -0.3473078E+00 Gb(Abramov) 0.2827659E-02 Vb(Abramov) -0.1826221E-02 Hb(Abramov) 0.1001438E-02 Ex_ueg -0.4500958E-03 Ec_ueg -0.9898392E-04 Delta_ex -0.5323964E-03 Delta_ec 0.1370017E-03 Delta_et -0.8317007E-03 Pxc 0.4547161E+01 Qxc -0.3886057E+01 3,+3 107 3 -1 -0.852503 3.027162 2.011036 Rho 0.1010309E+00 |GRAD(Rho)| 0.2709844E-15 GRAD(Rho)x 0.2685162E-15 GRAD(Rho)y -0.3609377E-16 GRAD(Rho)z 0.5366801E-17 Laplacian 0.3937854E+00 (-1/4)Del**2(Rho)) -0.9844635E-01 Diamond 0.4943917E+00 Metallicity 0.3835104E+01 Ellipticity 0.1577079E-01 Gb(Abramov) 0.1285562E+00 Vb(Abramov) -0.1586661E+00 Hb(Abramov) -0.3010988E-01 Ex_ueg -0.3475286E-01 Ec_ueg -0.5387542E-02 Delta_ex -0.3844255E-01 Delta_ec 0.1091171E-01 Delta_et -0.1357662E+00 Pxc 0.6450598E+01 Qxc -0.3523053E+01 3,-1 108 3 +3 1.125443 1.077629 1.155563 Rho 0.4498768E-02 |GRAD(Rho)| 0.6388337E-17 GRAD(Rho)x -0.1528352E-17 GRAD(Rho)y -0.8210735E-18 GRAD(Rho)z -0.6148238E-17 Laplacian 0.1681941E-01 (-1/4)Del**2(Rho)) -0.4204853E-02 Diamond 0.1039989E-03 Metallicity 0.5022944E+00 Ellipticity -0.2079033E+00 Gb(Abramov) 0.3155247E-02 Vb(Abramov) -0.2105642E-02 Hb(Abramov) 0.1049605E-02 Ex_ueg -0.5484998E-03 Ec_ueg -0.1254069E-03 Delta_ex -0.5668776E-03 Delta_ec 0.7857937E-04 Delta_et -0.5976444E-03 Pxc 0.4373761E+01 Qxc -0.7214077E+01 3,+3 109 3 +1 2.212018 1.040804 -1.430880 Rho 0.2323680E-01 |GRAD(Rho)| 0.8214284E-16 GRAD(Rho)x 0.7496573E-16 GRAD(Rho)y 0.6968118E-17 GRAD(Rho)z -0.3284863E-16 Laplacian 0.8432160E-01 (-1/4)Del**2(Rho)) -0.2108040E-01 Diamond 0.9354425E-02 Metallicity 0.1546327E+01 Ellipticity -0.3229530E+01 Gb(Abramov) 0.1948647E-01 Vb(Abramov) -0.1789253E-01 Hb(Abramov) 0.1593934E-02 Ex_ueg -0.4897262E-02 Ec_ueg -0.1000356E-02 Delta_ex -0.5069154E-02 Delta_ec 0.1298787E-02 Delta_et -0.1129741E-01 Pxc 0.4895520E+01 Qxc -0.3902992E+01 3,+1 110 3 +1 0.107340 -0.102371 3.075958 Rho 0.4582951E-02 |GRAD(Rho)| 0.2155644E-11 GRAD(Rho)x -0.2145334E-11 GRAD(Rho)y -0.9650823E-13 GRAD(Rho)z 0.1871551E-12 Laplacian 0.1756344E-01 (-1/4)Del**2(Rho)) -0.4390861E-02 Diamond 0.3416672E-03 Metallicity 0.4961110E+00 Ellipticity -0.2520686E+01 Gb(Abramov) 0.3290300E-02 Vb(Abramov) -0.2189739E-02 Hb(Abramov) 0.1100561E-02 Ex_ueg -0.5622274E-03 Ec_ueg -0.1290099E-03 Delta_ex -0.8351370E-03 Delta_ec 0.5108425E-03 Delta_et -0.2719833E-02 Pxc 0.4358019E+01 Qxc -0.1634823E+01 3,+1 111 3 +3 0.934992 -1.151283 -1.285309 Rho 0.3919685E-02 |GRAD(Rho)| 0.5560331E-17 GRAD(Rho)x -0.1661219E-17 GRAD(Rho)y 0.6616717E-18 GRAD(Rho)z -0.5264962E-17 Laplacian 0.1450895E-01 (-1/4)Del**2(Rho)) -0.3627237E-02 Diamond 0.1130344E-03 Metallicity 0.4628028E+00 Ellipticity -0.7776690E+00 Gb(Abramov) 0.2697940E-02 Vb(Abramov) -0.1768644E-02 Hb(Abramov) 0.9292964E-03 Ex_ueg -0.4564431E-03 Ec_ueg -0.1007229E-03 Delta_ex -0.5206604E-03 Delta_ec 0.1565411E-03 Delta_et -0.9138916E-03 Pxc 0.4531673E+01 Qxc -0.3326030E+01 3,+3 112 3 +1 -1.484799 1.043686 2.216897 Rho 0.2621702E-01 |GRAD(Rho)| 0.5564755E-15 GRAD(Rho)x 0.3908687E-15 GRAD(Rho)y 0.3925063E-15 GRAD(Rho)z 0.5315440E-16 Laplacian 0.9976879E-01 (-1/4)Del**2(Rho)) -0.2494220E-01 Diamond 0.1176022E-01 Metallicity 0.1598051E+01 Ellipticity -0.2306013E+01 Gb(Abramov) 0.2327128E-01 Vb(Abramov) -0.2160037E-01 Hb(Abramov) 0.1670914E-02 Ex_ueg -0.5752141E-02 Ec_ueg -0.1150183E-02 Delta_ex -0.6063178E-02 Delta_ec 0.1297882E-02 Delta_et -0.1166814E-01 Pxc 0.5001068E+01 Qxc -0.4671593E+01 3,+1 113 3 +1 1.688862 0.540876 0.572729 Rho 0.7269644E-02 |GRAD(Rho)| 0.8673047E-17 GRAD(Rho)x 0.6505332E-17 GRAD(Rho)y -0.5083342E-17 GRAD(Rho)z 0.2657450E-17 Laplacian 0.2688811E-01 (-1/4)Del**2(Rho)) -0.6722028E-02 Diamond 0.5703296E-03 Metallicity 0.6991570E+00 Ellipticity -0.1432580E+01 Gb(Abramov) 0.5264644E-02 Vb(Abramov) -0.3807261E-02 Hb(Abramov) 0.1457384E-02 Ex_ueg -0.1040086E-02 Ec_ueg -0.2458554E-03 Delta_ex -0.1176401E-02 Delta_ec 0.3762549E-03 Delta_et -0.2464135E-02 Pxc 0.4230478E+01 Qxc -0.3126607E+01 3,+1 114 3 +1 0.399476 -0.932387 -1.791234 Rho 0.4435267E-02 |GRAD(Rho)| 0.5080511E-15 GRAD(Rho)x 0.9163329E-16 GRAD(Rho)y 0.3906711E-15 GRAD(Rho)z 0.3116013E-15 Laplacian 0.1712681E-01 (-1/4)Del**2(Rho)) -0.4281701E-02 Diamond 0.3055861E-03 Metallicity 0.4817293E+00 Ellipticity -0.2165038E+01 Gb(Abramov) 0.3198238E-02 Vb(Abramov) -0.2114774E-02 Hb(Abramov) 0.1083464E-02 Ex_ueg -0.5382013E-03 Ec_ueg -0.1226916E-03 Delta_ex -0.7947613E-03 Delta_ec 0.4723946E-03 Delta_et -0.2502056E-02 Pxc 0.4386620E+01 Qxc -0.1682410E+01 3,+1 115 3 -1 -0.753972 -3.330175 -1.445439 Rho 0.3049380E+00 |GRAD(Rho)| 0.4452222E-12 GRAD(Rho)x -0.1604317E-12 GRAD(Rho)y -0.4133188E-12 GRAD(Rho)z -0.4064536E-13 Laplacian -0.1498902E+01 (-1/4)Del**2(Rho)) 0.3747254E+00 Diamond 0.4994095E+01 Metallicity -0.6351253E+01 Ellipticity 0.1137845E-02 Gb(Abramov) 0.1468457E+00 Vb(Abramov) -0.6684168E+00 Hb(Abramov) -0.5215711E+00 Ex_ueg -0.1515888E+00 Ec_ueg -0.1904371E-01 Delta_ex 0.1462659E+00 Delta_ec 0.5265033E-01 Delta_et -0.1223994E+01 Pxc 0.7960047E+01 Qxc 0.2778062E+01 3,-1 116 3 +3 -1.933075 -1.897999 -1.871121 Rho 0.1098395E-01 |GRAD(Rho)| 0.1246460E-16 GRAD(Rho)x -0.7630588E-17 GRAD(Rho)y 0.9813814E-17 GRAD(Rho)z 0.9107384E-18 Laplacian 0.4764613E-01 (-1/4)Del**2(Rho)) -0.1191153E-01 Diamond 0.8661587E-03 Metallicity 0.7849637E+00 Ellipticity -0.5856831E+00 Gb(Abramov) 0.9499374E-02 Vb(Abramov) -0.7087217E-02 Hb(Abramov) 0.2412157E-02 Ex_ueg -0.1803279E-02 Ec_ueg -0.4128699E-03 Delta_ex -0.2019917E-02 Delta_ec 0.1394857E-03 Delta_et -0.1407972E-02 Pxc 0.4367669E+01 Qxc -0.1448118E+02 3,+3 117 3 +3 -0.083559 -2.380616 -0.081973 Rho 0.3623814E-02 |GRAD(Rho)| 0.7607547E-15 GRAD(Rho)x -0.4965312E-15 GRAD(Rho)y 0.5613749E-15 GRAD(Rho)z -0.1306243E-15 Laplacian 0.1388309E-01 (-1/4)Del**2(Rho)) -0.3470772E-02 Diamond 0.8045251E-04 Metallicity 0.4243624E+00 Ellipticity -0.2659791E+00 Gb(Abramov) 0.2559325E-02 Vb(Abramov) -0.1647879E-02 Hb(Abramov) 0.9114464E-03 Ex_ueg -0.4110925E-03 Ec_ueg -0.8817928E-04 Delta_ex -0.4647342E-03 Delta_ec 0.1069640E-03 Delta_et -0.6638104E-03 Pxc 0.4662008E+01 Qxc -0.4344771E+01 3,+3 118 3 +1 2.195508 -1.500153 1.017254 Rho 0.2179037E-01 |GRAD(Rho)| 0.2390567E-16 GRAD(Rho)x 0.2251954E-16 GRAD(Rho)y -0.5959011E-17 GRAD(Rho)z 0.5370432E-17 Laplacian 0.7773162E-01 (-1/4)Del**2(Rho)) -0.1943290E-01 Diamond 0.7324533E-02 Metallicity 0.1507035E+01 Ellipticity -0.2468868E+01 Gb(Abramov) 0.1783628E-01 Vb(Abramov) -0.1623965E-01 Hb(Abramov) 0.1596625E-02 Ex_ueg -0.4495085E-02 Ec_ueg -0.9285132E-03 Delta_ex -0.4518779E-02 Delta_ec 0.1065025E-02 Delta_et -0.9169073E-02 Pxc 0.4841164E+01 Qxc -0.4242887E+01 3,+1 119 3 +1 0.578591 0.507482 1.735699 Rho 0.7286736E-02 |GRAD(Rho)| 0.6986842E-12 GRAD(Rho)x -0.1292910E-12 GRAD(Rho)y -0.6230652E-12 GRAD(Rho)z 0.2885015E-12 Laplacian 0.2776608E-01 (-1/4)Del**2(Rho)) -0.6941521E-02 Diamond 0.6124818E-03 Metallicity 0.6797047E+00 Ellipticity -0.1440131E+01 Gb(Abramov) 0.5414045E-02 Vb(Abramov) -0.3886568E-02 Hb(Abramov) 0.1527476E-02 Ex_ueg -0.1043348E-02 Ec_ueg -0.2466099E-03 Delta_ex -0.1227691E-02 Delta_ec 0.4102595E-03 Delta_et -0.2669920E-02 Pxc 0.4230762E+01 Qxc -0.2992474E+01 3,+1 120 3 -1 -0.516098 1.738455 1.778616 Rho 0.4880478E-01 |GRAD(Rho)| 0.1506951E-13 GRAD(Rho)x -0.1120553E-13 GRAD(Rho)y 0.1385419E-14 GRAD(Rho)z -0.9980327E-14 Laplacian 0.1936113E+00 (-1/4)Del**2(Rho)) -0.4840283E-01 Diamond 0.9446511E-01 Metallicity 0.2319813E+01 Ellipticity 0.3623232E-01 Gb(Abramov) 0.5098281E-01 Vb(Abramov) -0.5356278E-01 Hb(Abramov) -0.2579976E-02 Ex_ueg -0.1317250E-01 Ec_ueg -0.2348914E-02 Delta_ex -0.1581740E-01 Delta_ec 0.5729672E-02 Delta_et -0.6002643E-01 Pxc 0.5607911E+01 Qxc -0.2760611E+01 3,-1 121 3 -1 -0.864221 2.055741 3.034742 Rho 0.1500619E+00 |GRAD(Rho)| 0.5509559E-15 GRAD(Rho)x -0.1018066E-15 GRAD(Rho)y -0.8097635E-16 GRAD(Rho)z 0.5353790E-15 Laplacian 0.5840125E+00 (-1/4)Del**2(Rho)) -0.1460031E+00 Diamond 0.1179519E+01 Metallicity 0.5000059E+01 Ellipticity 0.3469289E-01 Gb(Abramov) 0.2190061E+00 Vb(Abramov) -0.2920091E+00 Hb(Abramov) -0.7300301E-01 Ex_ueg -0.5889508E-01 Ec_ueg -0.8447478E-02 Delta_ex -0.6267831E-01 Delta_ec 0.1473500E-01 Delta_et -0.1959758E+00 Pxc 0.6971913E+01 Qxc -0.4253701E+01 3,-1 122 3 -1 1.949279 3.016154 -0.884316 Rho 0.9549059E-01 |GRAD(Rho)| 0.4190026E-15 GRAD(Rho)x 0.2216922E-15 GRAD(Rho)y -0.1997981E-16 GRAD(Rho)z 0.3549881E-15 Laplacian 0.3965678E+00 (-1/4)Del**2(Rho)) -0.9914194E-01 Diamond 0.4819036E+00 Metallicity 0.3466544E+01 Ellipticity 0.2401937E-02 Gb(Abramov) 0.1233746E+00 Vb(Abramov) -0.1476073E+00 Hb(Abramov) -0.2423267E-01 Ex_ueg -0.3223536E-01 Ec_ueg -0.5052707E-02 Delta_ex -0.3851496E-01 Delta_ec 0.1167068E-01 Delta_et -0.1441973E+00 Pxc 0.6379819E+01 Qxc -0.3300147E+01 3,-1 123 3 -1 -0.563986 2.685435 -1.825474 Rho 0.1242816E+00 |GRAD(Rho)| 0.3720887E-15 GRAD(Rho)x 0.2339437E-15 GRAD(Rho)y -0.4431338E-16 GRAD(Rho)z -0.2859312E-15 Laplacian 0.5171664E+00 (-1/4)Del**2(Rho)) -0.1292916E+00 Diamond 0.8350720E+00 Metallicity 0.4124086E+01 Ellipticity 0.8044446E-02 Gb(Abramov) 0.1750627E+00 Vb(Abramov) -0.2208338E+00 Hb(Abramov) -0.4577108E-01 Ex_ueg -0.4580655E-01 Ec_ueg -0.6818119E-02 Delta_ex -0.5304768E-01 Delta_ec 0.1371017E-01 Delta_et -0.1772433E+00 Pxc 0.6718356E+01 Qxc -0.3869222E+01 3,-1 124 3 +1 0.187861 2.958219 -0.246787 Rho 0.5874635E-02 |GRAD(Rho)| 0.5257571E-17 GRAD(Rho)x 0.1060250E-17 GRAD(Rho)y 0.6341433E-19 GRAD(Rho)z -0.5149165E-17 Laplacian 0.2396346E-01 (-1/4)Del**2(Rho)) -0.5990866E-02 Diamond 0.5639282E-03 Metallicity 0.5500030E+00 Ellipticity -0.1815066E+01 Gb(Abramov) 0.4543076E-02 Vb(Abramov) -0.3095287E-02 Hb(Abramov) 0.1447790E-02 Ex_ueg -0.7828759E-03 Ec_ueg -0.1847439E-03 Delta_ex -0.1132022E-02 Delta_ec 0.5804762E-03 Delta_et -0.3377482E-02 Pxc 0.4237627E+01 Qxc -0.1950162E+01 3,+1 125 3 -1 -0.592523 -1.851083 2.896360 Rho 0.1083092E+00 |GRAD(Rho)| 0.2556030E-15 GRAD(Rho)x -0.2045754E-15 GRAD(Rho)y -0.1512462E-15 GRAD(Rho)z -0.2462494E-16 Laplacian 0.4601903E+00 (-1/4)Del**2(Rho)) -0.1150476E+00 Diamond 0.6499075E+00 Metallicity 0.3685120E+01 Ellipticity 0.2570908E-01 Gb(Abramov) 0.1473590E+00 Vb(Abramov) -0.1796705E+00 Hb(Abramov) -0.3231149E-01 Ex_ueg -0.3813049E-01 Ec_ueg -0.5831088E-02 Delta_ex -0.4599634E-01 Delta_ec 0.1314795E-01 Delta_et -0.1666237E+00 Pxc 0.6539173E+01 Qxc -0.3498366E+01 3,-1 126 3 +1 -0.282671 -1.268842 -2.507951 Rho 0.3275901E-02 |GRAD(Rho)| 0.2569779E-17 GRAD(Rho)x -0.1466630E-17 GRAD(Rho)y -0.9727325E-18 GRAD(Rho)z 0.1872579E-17 Laplacian 0.1262481E-01 (-1/4)Del**2(Rho)) -0.3156202E-02 Diamond 0.1135748E-03 Metallicity 0.3944025E+00 Ellipticity -0.1290998E+01 Gb(Abramov) 0.2311603E-02 Vb(Abramov) -0.1467005E-02 Hb(Abramov) 0.8445982E-03 Ex_ueg -0.3593294E-03 Ec_ueg -0.7348942E-04 Delta_ex -0.4930631E-03 Delta_ec 0.2422458E-03 Delta_et -0.1222477E-02 Pxc 0.4889539E+01 Qxc -0.2035383E+01 3,+1 127 3 +1 0.345723 -1.771764 -0.743751 Rho 0.6152946E-02 |GRAD(Rho)| 0.6315033E-17 GRAD(Rho)x 0.1434751E-17 GRAD(Rho)y -0.6149828E-17 GRAD(Rho)z -0.2721838E-19 Laplacian 0.2232082E-01 (-1/4)Del**2(Rho)) -0.5580206E-02 Diamond 0.5171746E-03 Metallicity 0.6378346E+00 Ellipticity -0.1988906E+01 Gb(Abramov) 0.4313345E-02 Vb(Abramov) -0.3046485E-02 Hb(Abramov) 0.1266860E-02 Ex_ueg -0.8327139E-03 Ec_ueg -0.1968613E-03 Delta_ex -0.1035455E-02 Delta_ec 0.4879611E-03 Delta_et -0.2904449E-02 Pxc 0.4229953E+01 Qxc -0.2122003E+01 3,+1 128 3 -1 0.262161 -1.185574 -1.859384 Rho 0.4496625E-02 |GRAD(Rho)| 0.5791212E-15 GRAD(Rho)x 0.4529106E-15 GRAD(Rho)y -0.3528376E-15 GRAD(Rho)z -0.7588813E-16 Laplacian 0.1752351E-01 (-1/4)Del**2(Rho)) -0.4380878E-02 Diamond 0.3930201E-03 Metallicity 0.4817294E+00 Ellipticity 0.9764223E+00 Gb(Abramov) 0.3272318E-02 Vb(Abramov) -0.2163758E-02 Hb(Abramov) 0.1108560E-02 Ex_ueg -0.5481515E-03 Ec_ueg -0.1253153E-03 Delta_ex -0.8951113E-03 Delta_ec 0.6256697E-03 Delta_et -0.3261052E-02 Pxc 0.4374180E+01 Qxc -0.1430645E+01 3,-1 129 3 +1 0.532861 1.678640 0.483755 Rho 0.8219877E-02 |GRAD(Rho)| 0.1567854E-15 GRAD(Rho)x -0.3717461E-16 GRAD(Rho)y 0.7845162E-16 GRAD(Rho)z 0.1305567E-15 Laplacian 0.3170515E-01 (-1/4)Del**2(Rho)) -0.7926289E-02 Diamond 0.7947859E-03 Metallicity 0.7276549E+00 Ellipticity -0.1435755E+01 Gb(Abramov) 0.6245460E-02 Vb(Abramov) -0.4564630E-02 Hb(Abramov) 0.1680829E-02 Ex_ueg -0.1225196E-02 Ec_ueg -0.2880046E-03 Delta_ex -0.1430531E-02 Delta_ec 0.4435772E-03 Delta_et -0.2998854E-02 Pxc 0.4254084E+01 Qxc -0.3224987E+01 3,+1 130 3 +1 2.002925 1.976227 -2.034097 Rho 0.1131304E-01 |GRAD(Rho)| 0.2583159E-12 GRAD(Rho)x -0.2394088E-12 GRAD(Rho)y 0.6316713E-13 GRAD(Rho)z -0.7362369E-13 Laplacian 0.4824220E-01 (-1/4)Del**2(Rho)) -0.1206055E-01 Diamond 0.1262103E-02 Metallicity 0.8143636E+00 Ellipticity -0.1054167E+01 Gb(Abramov) 0.9677313E-02 Vb(Abramov) -0.7294075E-02 Hb(Abramov) 0.2383238E-02 Ex_ueg -0.1875675E-02 Ec_ueg -0.4279502E-03 Delta_ex -0.2171974E-02 Delta_ec 0.3354485E-03 Delta_et -0.2709399E-02 Pxc 0.4382928E+01 Qxc -0.6474834E+01 3,+1 131 3 -1 -0.586681 -0.462835 -0.448776 Rho 0.1869423E+00 |GRAD(Rho)| 0.2689884E-15 GRAD(Rho)x 0.1838807E-15 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z 0.1422473E-15 Laplacian 0.5051847E+00 (-1/4)Del**2(Rho)) -0.1262962E+00 Diamond 0.1344723E+01 Metallicity 0.8336987E+01 Ellipticity 0.2278305E-01 Gb(Abramov) 0.2596857E+00 Vb(Abramov) -0.3930752E+00 Hb(Abramov) -0.1333895E+00 Ex_ueg -0.7894572E-01 Ec_ueg -0.1084898E-01 Delta_ex -0.5739635E-01 Delta_ec 0.1225934E-01 Delta_et -0.1679878E+00 Pxc 0.7276787E+01 Qxc -0.4681846E+01 3,-1 132 3 -1 -0.049483 -3.279997 3.323957 Rho 0.1986814E+00 |GRAD(Rho)| 0.2587090E-10 GRAD(Rho)x -0.4705921E-11 GRAD(Rho)y -0.1775377E-10 GRAD(Rho)z 0.1821981E-10 Laplacian 0.7506709E+00 (-1/4)Del**2(Rho)) -0.1876677E+00 Diamond 0.2125637E+01 Metallicity 0.6210009E+01 Ellipticity 0.1240687E-02 Gb(Abramov) 0.3193482E+00 Vb(Abramov) -0.4510287E+00 Hb(Abramov) -0.1316805E+00 Ex_ueg -0.8562383E-01 Ec_ueg -0.1162982E-01 Delta_ex -0.8644730E-01 Delta_ec 0.1762569E-01 Delta_et -0.2419254E+00 Pxc 0.7362436E+01 Qxc -0.4904620E+01 3,-1 133 3 -1 0.521621 -1.773025 1.767843 Rho 0.3946395E-01 |GRAD(Rho)| 0.4877196E-16 GRAD(Rho)x -0.9601965E-17 GRAD(Rho)y -0.4480381E-17 GRAD(Rho)z -0.4760706E-16 Laplacian 0.1668637E+00 (-1/4)Del**2(Rho)) -0.4171594E-01 Diamond 0.6602525E-01 Metallicity 0.1889088E+01 Ellipticity 0.1935289E-01 Gb(Abramov) 0.4094480E-01 Vb(Abramov) -0.4017367E-01 Hb(Abramov) 0.7711330E-03 Ex_ueg -0.9923218E-02 Ec_ueg -0.1841345E-02 Delta_ex -0.1322532E-01 Delta_ec 0.5476749E-02 Delta_et -0.5428420E-01 Pxc 0.5389115E+01 Qxc -0.2414813E+01 3,-1 134 3 -1 0.049757 -3.235212 -1.359682 Rho 0.3990140E-01 |GRAD(Rho)| 0.1005896E-15 GRAD(Rho)x 0.9927117E-16 GRAD(Rho)y -0.1562380E-16 GRAD(Rho)z -0.4403844E-17 Laplacian 0.1091945E+00 (-1/4)Del**2(Rho)) -0.2729863E-01 Diamond 0.6206114E-01 Metallicity 0.2940305E+01 Ellipticity 0.2726069E-02 Gb(Abramov) 0.3157681E-01 Vb(Abramov) -0.3585498E-01 Hb(Abramov) -0.4278175E-02 Ex_ueg -0.1007015E-01 Ec_ueg -0.1864779E-02 Delta_ex -0.9737616E-02 Delta_ec 0.5476078E-02 Delta_et -0.5463745E-01 Pxc 0.5400182E+01 Qxc -0.1778210E+01 3,-1 135 3 -1 -0.577420 1.708980 -2.778457 Rho 0.1297157E+00 |GRAD(Rho)| 0.1508649E-13 GRAD(Rho)x -0.1274276E-14 GRAD(Rho)y -0.1305561E-13 GRAD(Rho)z 0.7451799E-14 Laplacian 0.5407479E+00 (-1/4)Del**2(Rho)) -0.1351870E+00 Diamond 0.9183973E+00 Metallicity 0.4235836E+01 Ellipticity 0.1475786E-01 Gb(Abramov) 0.1855630E+00 Vb(Abramov) -0.2359390E+00 Hb(Abramov) -0.5037599E-01 Ex_ueg -0.4849628E-01 Ec_ueg -0.7157966E-02 Delta_ex -0.5603003E-01 Delta_ec 0.1417238E-01 Delta_et -0.1844880E+00 Pxc 0.6775148E+01 Qxc -0.3953466E+01 3,-1 136 3 -1 -2.040040 0.904730 3.039672 Rho 0.1049652E+00 |GRAD(Rho)| 0.1246454E-14 GRAD(Rho)x -0.8067752E-15 GRAD(Rho)y -0.9332948E-15 GRAD(Rho)z -0.1781073E-15 Laplacian 0.4318245E+00 (-1/4)Del**2(Rho)) -0.1079561E+00 Diamond 0.5873093E+00 Metallicity 0.3727191E+01 Ellipticity 0.1468396E-01 Gb(Abramov) 0.1390329E+00 Vb(Abramov) -0.1701098E+00 Hb(Abramov) -0.3107681E-01 Ex_ueg -0.3656894E-01 Ec_ueg -0.5626797E-02 Delta_ex -0.4284892E-01 Delta_ec 0.1242551E-01 Delta_et -0.1564997E+00 Pxc 0.6499068E+01 Qxc -0.3448463E+01 3,-1 137 3 +1 1.291500 -1.179252 2.218187 Rho 0.2353741E-01 |GRAD(Rho)| 0.1084599E-15 GRAD(Rho)x 0.9347218E-16 GRAD(Rho)y 0.1163032E-16 GRAD(Rho)z 0.5377024E-16 Laplacian 0.8711010E-01 (-1/4)Del**2(Rho)) -0.2177753E-01 Diamond 0.1130977E-01 Metallicity 0.1529240E+01 Ellipticity -0.1218714E+02 Gb(Abramov) 0.2006886E-01 Vb(Abramov) -0.1836020E-01 Hb(Abramov) 0.1708665E-02 Ex_ueg -0.4981917E-02 Ec_ueg -0.1015360E-02 Delta_ex -0.5428373E-02 Delta_ec 0.1651312E-02 Delta_et -0.1431480E-01 Pxc 0.4906551E+01 Qxc -0.3287309E+01 3,+1 138 3 +1 2.044549 -2.071305 2.065684 Rho 0.1104147E-01 |GRAD(Rho)| 0.1091442E-12 GRAD(Rho)x -0.3551222E-13 GRAD(Rho)y -0.9937810E-13 GRAD(Rho)z -0.2784460E-13 Laplacian 0.4358506E-01 (-1/4)Del**2(Rho)) -0.1089627E-01 Diamond 0.1097425E-02 Metallicity 0.8656061E+00 Ellipticity -0.1134520E+01 Gb(Abramov) 0.8836156E-02 Vb(Abramov) -0.6776047E-02 Hb(Abramov) 0.2060110E-02 Ex_ueg -0.1815882E-02 Ec_ueg -0.4155027E-03 Delta_ex -0.1947250E-02 Delta_ec 0.3001231E-03 Delta_et -0.2417626E-02 Pxc 0.4370325E+01 Qxc -0.6488170E+01 3,+1 139 3 -1 -0.112653 3.094268 -3.248970 Rho 0.2253037E+00 |GRAD(Rho)| 0.1154151E-14 GRAD(Rho)x 0.3525012E-15 GRAD(Rho)y -0.8488761E-15 GRAD(Rho)z 0.6980094E-15 Laplacian 0.8400274E+00 (-1/4)Del**2(Rho)) -0.2100068E+00 Diamond 0.2748868E+01 Metallicity 0.6843320E+01 Ellipticity 0.2413533E-03 Gb(Abramov) 0.3795286E+00 Vb(Abramov) -0.5490503E+00 Hb(Abramov) -0.1695217E+00 Ex_ueg -0.1012534E+00 Ec_ueg -0.1342912E-01 Delta_ex -0.9981075E-01 Delta_ec 0.1885573E-01 Delta_et -0.2602950E+00 Pxc 0.7539837E+01 Qxc -0.5293392E+01 3,-1 140 3 -1 0.522708 2.806918 1.825358 Rho 0.1576468E+00 |GRAD(Rho)| 0.6997035E-13 GRAD(Rho)x -0.4298702E-13 GRAD(Rho)y -0.1426762E-13 GRAD(Rho)z 0.5333293E-13 Laplacian 0.6442318E+00 (-1/4)Del**2(Rho)) -0.1610580E+00 Diamond 0.1378043E+01 Metallicity 0.4920918E+01 Ellipticity 0.9035464E-02 Gb(Abramov) 0.2394641E+00 Vb(Abramov) -0.3178703E+00 Hb(Abramov) -0.7840619E-01 Ex_ueg -0.6289728E-01 Ec_ueg -0.8934801E-02 Delta_ex -0.6996503E-01 Delta_ec 0.1601318E-01 Delta_et -0.2142773E+00 Pxc 0.7039583E+01 Qxc -0.4369215E+01 3,-1 141 3 -1 0.079170 3.240254 3.230148 Rho 0.2229676E+00 |GRAD(Rho)| 0.3796218E-15 GRAD(Rho)x 0.1744210E-16 GRAD(Rho)y -0.3696587E-15 GRAD(Rho)z -0.8462198E-16 Laplacian 0.8267310E+00 (-1/4)Del**2(Rho)) -0.2066827E+00 Diamond 0.2674611E+01 Metallicity 0.6833637E+01 Ellipticity 0.2182135E-02 Gb(Abramov) 0.3731876E+00 Vb(Abramov) -0.5396925E+00 Hb(Abramov) -0.1665049E+00 Ex_ueg -0.9985598E-01 Ec_ueg -0.1326966E-01 Delta_ex -0.9798324E-01 Delta_ec 0.1864405E-01 Delta_et -0.2573616E+00 Pxc 0.7525132E+01 Qxc -0.5255469E+01 3,-1 142 3 -1 0.432712 -0.503605 0.465624 Rho 0.1826517E+00 |GRAD(Rho)| 0.2800383E-15 GRAD(Rho)x -0.2532696E-15 GRAD(Rho)y 0.1075529E-15 GRAD(Rho)z -0.5204170E-16 Laplacian 0.4786855E+00 (-1/4)Del**2(Rho)) -0.1196714E+00 Diamond 0.1247386E+01 Metallicity 0.8464522E+01 Ellipticity 0.2280451E-02 Gb(Abramov) 0.2486077E+00 Vb(Abramov) -0.3775441E+00 Hb(Abramov) -0.1289364E+00 Ex_ueg -0.7653910E-01 Ec_ueg -0.1056553E-01 Delta_ex -0.5413157E-01 Delta_ec 0.1180048E-01 Delta_et -0.1616509E+00 Pxc 0.7244229E+01 Qxc -0.4587234E+01 3,-1 143 3 -1 0.441500 0.430271 -0.486155 Rho 0.1778512E+00 |GRAD(Rho)| 0.2490763E-15 GRAD(Rho)x 0.7979728E-16 GRAD(Rho)y 0.1387779E-15 GRAD(Rho)z -0.1908196E-15 Laplacian 0.4604843E+00 (-1/4)Del**2(Rho)) -0.1151211E+00 Diamond 0.1167616E+01 Metallicity 0.8417044E+01 Ellipticity 0.8829991E-02 Gb(Abramov) 0.2382439E+00 Vb(Abramov) -0.3613667E+00 Hb(Abramov) -0.1231228E+00 Ex_ueg -0.7386875E-01 Ec_ueg -0.1024964E-01 Delta_ex -0.5176991E-01 Delta_ec 0.1150790E-01 Delta_et -0.1573972E+00 Pxc 0.7206962E+01 Qxc -0.4498642E+01 3,-1 144 3 -1 0.866416 -3.085428 2.069034 Rho 0.1311484E+00 |GRAD(Rho)| 0.2718682E-12 GRAD(Rho)x -0.1890190E-12 GRAD(Rho)y 0.1081478E-12 GRAD(Rho)z 0.1627518E-12 Laplacian 0.5301016E+00 (-1/4)Del**2(Rho)) -0.1325254E+00 Diamond 0.9323125E+00 Metallicity 0.4400738E+01 Ellipticity 0.1985307E-01 Gb(Abramov) 0.1855519E+00 Vb(Abramov) -0.2385783E+00 Hb(Abramov) -0.5302646E-01 Ex_ueg -0.4921176E-01 Ec_ueg -0.7247894E-02 Delta_ex -0.5531143E-01 Delta_ec 0.1428308E-01 Delta_et -0.1870658E+00 Pxc 0.6789801E+01 Qxc -0.3872514E+01 3,-1 145 3 +1 3.085540 -0.070218 0.102794 Rho 0.4441872E-02 |GRAD(Rho)| 0.5694296E-17 GRAD(Rho)x -0.7525545E-18 GRAD(Rho)y 0.4651531E-17 GRAD(Rho)z 0.3197175E-17 Laplacian 0.1659596E-01 (-1/4)Del**2(Rho)) -0.4148991E-02 Diamond 0.3272782E-03 Metallicity 0.4983726E+00 Ellipticity -0.3797591E+01 Gb(Abramov) 0.3110618E-02 Vb(Abramov) -0.2072245E-02 Hb(Abramov) 0.1038373E-02 Ex_ueg -0.5392703E-03 Ec_ueg -0.1229739E-03 Delta_ex -0.8035948E-03 Delta_ec 0.5170992E-03 Delta_et -0.2712343E-02 Pxc 0.4385241E+01 Qxc -0.1554044E+01 3,+1 146 3 -1 0.579120 1.841334 2.859548 Rho 0.1819595E+00 |GRAD(Rho)| 0.6333011E-15 GRAD(Rho)x 0.5467632E-15 GRAD(Rho)y -0.2458699E-15 GRAD(Rho)z 0.2041282E-15 Laplacian 0.7365277E+00 (-1/4)Del**2(Rho)) -0.1841319E+00 Diamond 0.1861437E+01 Metallicity 0.5466573E+01 Ellipticity 0.2227539E-01 Gb(Abramov) 0.2905164E+00 Vb(Abramov) -0.3969008E+00 Hb(Abramov) -0.1063845E+00 Ex_ueg -0.7615257E-01 Ec_ueg -0.1051989E-01 Delta_ex -0.8283180E-01 Delta_ec 0.1749962E-01 Delta_et -0.2376207E+00 Pxc 0.7238910E+01 Qxc -0.4733348E+01 3,-1 147 3 -1 0.843103 1.926625 -3.052674 Rho 0.1679540E+00 |GRAD(Rho)| 0.5387547E-15 GRAD(Rho)x 0.4537928E-15 GRAD(Rho)y -0.2089529E-15 GRAD(Rho)z -0.2016616E-15 Laplacian 0.6524251E+00 (-1/4)Del**2(Rho)) -0.1631063E+00 Diamond 0.1505595E+01 Metallicity 0.5400075E+01 Ellipticity 0.5037443E-01 Gb(Abramov) 0.2555352E+00 Vb(Abramov) -0.3479641E+00 Hb(Abramov) -0.9242894E-01 Ex_ueg -0.6843930E-01 Ec_ueg -0.9602568E-02 Delta_ex -0.7197812E-01 Delta_ec 0.1595237E-01 Delta_et -0.2151131E+00 Pxc 0.7127187E+01 Qxc -0.4512064E+01 3,-1 148 3 +1 1.422722 2.165829 -1.036202 Rho 0.2435811E-01 |GRAD(Rho)| 0.1402421E-16 GRAD(Rho)x -0.7962507E-18 GRAD(Rho)y 0.1186692E-16 GRAD(Rho)z -0.7431066E-17 Laplacian 0.9121514E-01 (-1/4)Del**2(Rho)) -0.2280378E-01 Diamond 0.9375754E-02 Metallicity 0.1546271E+01 Ellipticity -0.2106335E+01 Gb(Abramov) 0.2107933E-01 Vb(Abramov) -0.1935487E-01 Hb(Abramov) 0.1724458E-02 Ex_ueg -0.5214865E-02 Ec_ueg -0.1056450E-02 Delta_ex -0.5393834E-02 Delta_ec 0.1119336E-02 Delta_et -0.9924938E-02 Pxc 0.4936214E+01 Qxc -0.4818781E+01 3,+1 149 3 +1 1.752973 1.817579 1.807981 Rho 0.1129142E-01 |GRAD(Rho)| 0.4468230E-15 GRAD(Rho)x -0.2073466E-15 GRAD(Rho)y 0.3492664E-15 GRAD(Rho)z -0.1862021E-15 Laplacian 0.5270014E-01 (-1/4)Del**2(Rho)) -0.1317503E-01 Diamond 0.1881206E-02 Metallicity 0.7431028E+00 Ellipticity -0.1279405E+01 Gb(Abramov) 0.1041509E-01 Vb(Abramov) -0.7655146E-02 Hb(Abramov) 0.2759944E-02 Ex_ueg -0.1870896E-02 Ec_ueg -0.4269580E-03 Delta_ex -0.2530022E-02 Delta_ec 0.6496530E-03 Delta_et -0.4826388E-02 Pxc 0.4381921E+01 Qxc -0.3894420E+01 3,+1 150 3 +1 1.399970 -2.237834 1.044618 Rho 0.2360164E-01 |GRAD(Rho)| 0.2617644E-16 GRAD(Rho)x 0.3441071E-21 GRAD(Rho)y -0.1715907E-16 GRAD(Rho)z 0.1976796E-16 Laplacian 0.8716067E-01 (-1/4)Del**2(Rho)) -0.2179017E-01 Diamond 0.9941017E-02 Metallicity 0.1535310E+01 Ellipticity -0.3194921E+01 Gb(Abramov) 0.2010256E-01 Vb(Abramov) -0.1841494E-01 Hb(Abramov) 0.1687612E-02 Ex_ueg -0.5000052E-02 Ec_ueg -0.1018570E-02 Delta_ex -0.5269138E-02 Delta_ec 0.1355436E-02 Delta_et -0.1183021E-01 Pxc 0.4908896E+01 Qxc -0.3887412E+01 3,+1 151 3 +3 1.944979 -1.972232 1.956780 Rho 0.1098341E-01 |GRAD(Rho)| 0.4437463E-15 GRAD(Rho)x -0.2600199E-15 GRAD(Rho)y 0.2579052E-15 GRAD(Rho)z -0.2505701E-15 Laplacian 0.4307377E-01 (-1/4)Del**2(Rho)) -0.1076844E-01 Diamond 0.8105933E-03 Metallicity 0.8682177E+00 Ellipticity -0.7925373E+00 Gb(Abramov) 0.8737188E-02 Vb(Abramov) -0.6705932E-02 Hb(Abramov) 0.2031256E-02 Ex_ueg -0.1803161E-02 Ec_ueg -0.4128452E-03 Delta_ex -0.1835028E-02 Delta_ec 0.1421294E-03 Delta_et -0.1377592E-02 Pxc 0.4367644E+01 Qxc -0.1291096E+02 3,+3 152 3 -1 1.222211 -2.346770 -2.058967 Rho 0.5229075E-01 |GRAD(Rho)| 0.1263035E-15 GRAD(Rho)x -0.9164313E-17 GRAD(Rho)y -0.5816473E-16 GRAD(Rho)z 0.1117383E-15 Laplacian 0.1272390E+00 (-1/4)Del**2(Rho)) -0.3180976E-01 Diamond 0.1068699E+00 Metallicity 0.3960053E+01 Ellipticity 0.5024920E-02 Gb(Abramov) 0.4220122E-01 Vb(Abramov) -0.5259269E-01 Hb(Abramov) -0.1039147E-01 Ex_ueg -0.1444170E-01 Ec_ueg -0.2541884E-02 Delta_ex -0.1214814E-01 Delta_ec 0.6567664E-02 Delta_et -0.7096613E-01 Pxc 0.5681493E+01 Qxc -0.1849690E+01 3,-1 153 3 -1 0.860731 -2.016212 3.107809 Rho 0.1248586E+00 |GRAD(Rho)| 0.6975960E-13 GRAD(Rho)x -0.4769783E-13 GRAD(Rho)y -0.4342119E-13 GRAD(Rho)z -0.2656915E-13 Laplacian 0.5052777E+00 (-1/4)Del**2(Rho)) -0.1263194E+00 Diamond 0.8403628E+00 Metallicity 0.4253834E+01 Ellipticity 0.9471693E-02 Gb(Abramov) 0.1737699E+00 Vb(Abramov) -0.2212204E+00 Hb(Abramov) -0.4745049E-01 Ex_ueg -0.4609032E-01 Ec_ueg -0.6854109E-02 Delta_ex -0.5213939E-01 Delta_ec 0.1383309E-01 Delta_et -0.1797662E+00 Pxc 0.6724480E+01 Qxc -0.3769178E+01 3,-1 154 3 -1 1.249065 -1.824516 -2.617332 Rho 0.2970607E+00 |GRAD(Rho)| 0.1591157E-11 GRAD(Rho)x 0.7131449E-12 GRAD(Rho)y 0.1422190E-11 GRAD(Rho)z -0.2410054E-13 Laplacian -0.1408394E+01 (-1/4)Del**2(Rho)) 0.3520985E+00 Diamond 0.4687713E+01 Metallicity -0.6470894E+01 Ellipticity 0.2304290E-02 Gb(Abramov) 0.1449997E+00 Vb(Abramov) -0.6420979E+00 Hb(Abramov) -0.4970982E+00 Ex_ueg -0.1463902E+00 Ec_ueg -0.1847277E-01 Delta_ex 0.1354573E+00 Delta_ec 0.5048490E-01 Delta_et -0.1157610E+01 Pxc 0.7924647E+01 Qxc 0.2683125E+01 3,-1 155 3 -1 1.703741 -1.819213 0.485724 Rho 0.3569781E-01 |GRAD(Rho)| 0.8733709E-14 GRAD(Rho)x 0.5729536E-14 GRAD(Rho)y -0.5928366E-14 GRAD(Rho)z -0.2881764E-14 Laplacian 0.1499459E+00 (-1/4)Del**2(Rho)) -0.3748647E-01 Diamond 0.5207152E-01 Metallicity 0.1778612E+01 Ellipticity 0.6012790E-02 Gb(Abramov) 0.3610329E-01 Vb(Abramov) -0.3472012E-01 Hb(Abramov) 0.1383173E-02 Ex_ueg -0.8681082E-02 Ec_ueg -0.1641081E-02 Delta_ex -0.1162024E-01 Delta_ec 0.4959738E-02 Delta_et -0.4781247E-01 Pxc 0.5289854E+01 Qxc -0.2342914E+01 3,-1 156 3 +3 2.400693 -0.040252 0.024487 Rho 0.3680020E-02 |GRAD(Rho)| 0.9381906E-16 GRAD(Rho)x -0.7659446E-17 GRAD(Rho)y 0.6596529E-16 GRAD(Rho)z -0.6627163E-16 Laplacian 0.1423983E-01 (-1/4)Del**2(Rho)) -0.3559958E-02 Diamond 0.8762296E-04 Metallicity 0.4244812E+00 Ellipticity -0.2350344E+00 Gb(Abramov) 0.2625162E-02 Vb(Abramov) -0.1690365E-02 Hb(Abramov) 0.9347969E-03 Ex_ueg -0.4196159E-03 Ec_ueg -0.9055855E-04 Delta_ex -0.4832628E-03 Delta_ec 0.1181042E-03 Delta_et -0.7213925E-03 Pxc 0.4633641E+01 Qxc -0.4091833E+01 3,+3 157 3 -1 0.808890 2.971261 -2.046138 Rho 0.1635975E+00 |GRAD(Rho)| 0.1005186E-15 GRAD(Rho)x 0.6318188E-16 GRAD(Rho)y 0.2482823E-16 GRAD(Rho)z 0.7413232E-16 Laplacian 0.6323905E+00 (-1/4)Del**2(Rho)) -0.1580976E+00 Diamond 0.1419123E+01 Metallicity 0.5332395E+01 Ellipticity 0.4104730E-01 Gb(Abramov) 0.2459049E+00 Vb(Abramov) -0.3337122E+00 Hb(Abramov) -0.8780729E-01 Ex_ueg -0.6608263E-01 Ec_ueg -0.9319558E-02 Delta_ex -0.6935721E-01 Delta_ec 0.1564820E-01 Delta_et -0.2105666E+00 Pxc 0.7090747E+01 Qxc -0.4432281E+01 3,-1 158 3 -1 1.761346 2.817517 0.568290 Rho 0.1078354E+00 |GRAD(Rho)| 0.5250902E-15 GRAD(Rho)x 0.3988102E-15 GRAD(Rho)y -0.2201947E-16 GRAD(Rho)z -0.3408596E-15 Laplacian 0.4671172E+00 (-1/4)Del**2(Rho)) -0.1167793E+00 Diamond 0.6587799E+00 Metallicity 0.3604037E+01 Ellipticity 0.1788595E-01 Gb(Abramov) 0.1479990E+00 Vb(Abramov) -0.1792187E+00 Hb(Abramov) -0.3121973E-01 Ex_ueg -0.3790821E-01 Ec_ueg -0.5802086E-02 Delta_ex -0.4668072E-01 Delta_ec 0.1342969E-01 Delta_et -0.1701424E+00 Pxc 0.6533548E+01 Qxc -0.3475934E+01 3,-1 159 3 -1 1.816133 0.464032 -1.742609 Rho 0.3488993E-01 |GRAD(Rho)| 0.4109288E-16 GRAD(Rho)x -0.9132709E-17 GRAD(Rho)y 0.2544529E-16 GRAD(Rho)z 0.3094762E-16 Laplacian 0.1456136E+00 (-1/4)Del**2(Rho)) -0.3640341E-01 Diamond 0.4873805E-01 Metallicity 0.1762969E+01 Ellipticity 0.2082370E-01 Gb(Abramov) 0.3496528E-01 Vb(Abramov) -0.3352716E-01 Hb(Abramov) 0.1438125E-02 Ex_ueg -0.8420124E-02 Ec_ueg -0.1598485E-02 Delta_ex -0.1120318E-01 Delta_ec 0.4782004E-02 Delta_et -0.4580416E-01 Pxc 0.5267565E+01 Qxc -0.2342779E+01 3,-1 160 3 +1 1.534288 0.900848 -2.203474 Rho 0.2340376E-01 |GRAD(Rho)| 0.5580212E-16 GRAD(Rho)x 0.3948516E-16 GRAD(Rho)y -0.1645234E-16 GRAD(Rho)z -0.3583460E-16 Laplacian 0.8853752E-01 (-1/4)Del**2(Rho)) -0.2213438E-01 Diamond 0.8167916E-02 Metallicity 0.1490374E+01 Ellipticity -0.1873470E+01 Gb(Abramov) 0.2025434E-01 Vb(Abramov) -0.1837429E-01 Hb(Abramov) 0.1880044E-02 Ex_ueg -0.4944236E-02 Ec_ueg -0.1008687E-02 Delta_ex -0.5125160E-02 Delta_ec 0.9928375E-03 Delta_et -0.8764032E-02 Pxc 0.4901658E+01 Qxc -0.5162134E+01 3,+1 161 3 -1 1.860011 0.558965 2.844914 Rho 0.7824837E-01 |GRAD(Rho)| 0.2617263E-13 GRAD(Rho)x 0.1815039E-13 GRAD(Rho)y -0.1842426E-13 GRAD(Rho)z -0.4014497E-14 Laplacian 0.3412037E+00 (-1/4)Del**2(Rho)) -0.8530094E-01 Diamond 0.3289540E+00 Metallicity 0.2891067E+01 Ellipticity 0.1850006E-01 Gb(Abramov) 0.9796908E-01 Vb(Abramov) -0.1106372E+00 Hb(Abramov) -0.1266815E-01 Ex_ueg -0.2471831E-01 Ec_ueg -0.4027502E-02 Delta_ex -0.3175537E-01 Delta_ec 0.1059593E-01 Delta_et -0.1253807E+00 Pxc 0.6137381E+01 Qxc -0.2996939E+01 3,-1 162 3 -1 1.818540 -2.918366 -0.649611 Rho 0.1687728E+00 |GRAD(Rho)| 0.6780542E-14 GRAD(Rho)x 0.2183204E-14 GRAD(Rho)y -0.5206840E-14 GRAD(Rho)z -0.3754755E-14 Laplacian 0.6642793E+00 (-1/4)Del**2(Rho)) -0.1660698E+00 Diamond 0.1549048E+01 Metallicity 0.5346871E+01 Ellipticity 0.1089217E-01 Gb(Abramov) 0.2587055E+00 Vb(Abramov) -0.3513412E+00 Hb(Abramov) -0.9263571E-01 Ex_ueg -0.6888450E-01 Ec_ueg -0.9655880E-02 Delta_ex -0.7343564E-01 Delta_ec 0.1632999E-01 Delta_et -0.2206270E+00 Pxc 0.7133943E+01 Qxc -0.4496979E+01 3,-1 163 3 -1 1.988821 -3.126488 0.852089 Rho 0.1168958E+00 |GRAD(Rho)| 0.4692961E-14 GRAD(Rho)x -0.3072724E-14 GRAD(Rho)y -0.3403907E-14 GRAD(Rho)z -0.9978319E-15 Laplacian 0.4719817E+00 (-1/4)Del**2(Rho)) -0.1179954E+00 Diamond 0.7288406E+00 Metallicity 0.4080245E+01 Ellipticity 0.6019063E-02 Gb(Abramov) 0.1589053E+00 Vb(Abramov) -0.1998152E+00 Hb(Abramov) -0.4090990E-01 Ex_ueg -0.4221340E-01 Ec_ueg -0.6359448E-02 Delta_ex -0.4799968E-01 Delta_ec 0.1321014E-01 Delta_et -0.1697938E+00 Pxc 0.6637903E+01 Qxc -0.3633549E+01 3,-1 164 3 -1 2.060007 0.796117 -3.032747 Rho 0.8635128E-01 |GRAD(Rho)| 0.6313817E-13 GRAD(Rho)x 0.4012303E-13 GRAD(Rho)y -0.4509149E-13 GRAD(Rho)z 0.1852915E-13 Laplacian 0.3579260E+00 (-1/4)Del**2(Rho)) -0.8948151E-01 Diamond 0.3862381E+00 Metallicity 0.3247889E+01 Ellipticity 0.1186187E-01 Gb(Abramov) 0.1080920E+00 Vb(Abramov) -0.1267025E+00 Hb(Abramov) -0.1861049E-01 Ex_ueg -0.2818881E-01 Ec_ueg -0.4505968E-02 Delta_ex -0.3399908E-01 Delta_ec 0.1079922E-01 Delta_et -0.1305990E+00 Pxc 0.6255883E+01 Qxc -0.3148290E+01 3,-1 165 3 -1 1.735593 1.707515 -0.532673 Rho 0.3926474E-01 |GRAD(Rho)| 0.1134144E-16 GRAD(Rho)x -0.1124775E-16 GRAD(Rho)y 0.1170600E-17 GRAD(Rho)z -0.8637618E-18 Laplacian 0.1645305E+00 (-1/4)Del**2(Rho)) -0.4113264E-01 Diamond 0.6446915E-01 Metallicity 0.1899785E+01 Ellipticity 0.1778578E-01 Gb(Abramov) 0.4044562E-01 Vb(Abramov) -0.3975860E-01 Hb(Abramov) 0.6870163E-03 Ex_ueg -0.9856484E-02 Ec_ueg -0.1830684E-02 Delta_ex -0.1301330E-01 Delta_ec 0.5380460E-02 Delta_et -0.5325353E-01 Pxc 0.5384044E+01 Qxc -0.2418622E+01 3,-1 166 3 +3 1.972627 1.938779 -1.997813 Rho 0.1131059E-01 |GRAD(Rho)| 0.6655083E-15 GRAD(Rho)x -0.2381346E-16 GRAD(Rho)y 0.6249917E-15 GRAD(Rho)z 0.2274195E-15 Laplacian 0.4807859E-01 (-1/4)Del**2(Rho)) -0.1201965E-01 Diamond 0.1145020E-02 Metallicity 0.8168403E+00 Ellipticity -0.9369185E+00 Gb(Abramov) 0.9649454E-02 Vb(Abramov) -0.7279260E-02 Hb(Abramov) 0.2370194E-02 Ex_ueg -0.1875134E-02 Ec_ueg -0.4278379E-03 Delta_ex -0.2129320E-02 Delta_ec 0.2715444E-03 Delta_et -0.2285943E-02 Pxc 0.4382814E+01 Qxc -0.7841517E+01 3,+3 167 3 +1 1.994772 -1.836737 -1.775441 Rho 0.1380861E-01 |GRAD(Rho)| 0.1041762E-15 GRAD(Rho)x -0.7452326E-16 GRAD(Rho)y -0.6125855E-16 GRAD(Rho)z -0.3932378E-16 Laplacian 0.5868693E-01 (-1/4)Del**2(Rho)) -0.1467173E-01 Diamond 0.2666065E-02 Metallicity 0.9332294E+00 Ellipticity -0.1413442E+01 Gb(Abramov) 0.1206317E-01 Vb(Abramov) -0.9454608E-02 Hb(Abramov) 0.2608562E-02 Ex_ueg -0.2446724E-02 Ec_ueg -0.5436915E-03 Delta_ex -0.2949722E-02 Delta_ec 0.6824385E-03 Delta_et -0.5350632E-02 Pxc 0.4500207E+01 Qxc -0.4322326E+01 3,+1 168 3 -1 2.888179 -1.912102 -0.608720 Rho 0.1054643E+00 |GRAD(Rho)| 0.2800056E-15 GRAD(Rho)x -0.4998172E-16 GRAD(Rho)y -0.2310164E-15 GRAD(Rho)z 0.1501213E-15 Laplacian 0.4456711E+00 (-1/4)Del**2(Rho)) -0.1114178E+00 Diamond 0.6106049E+00 Metallicity 0.3640053E+01 Ellipticity 0.2375572E-01 Gb(Abramov) 0.1418730E+00 Vb(Abramov) -0.1723281E+00 Hb(Abramov) -0.3045518E-01 Ex_ueg -0.3680095E-01 Ec_ueg -0.5657232E-02 Delta_ex -0.4428732E-01 Delta_ec 0.1283867E-01 Delta_et -0.1618922E+00 Pxc 0.6505115E+01 Qxc -0.3449524E+01 3,-1 169 3 -1 3.036017 -2.100374 0.832757 Rho 0.8562227E-01 |GRAD(Rho)| 0.4111872E-15 GRAD(Rho)x 0.3015979E-15 GRAD(Rho)y 0.1938486E-15 GRAD(Rho)z 0.2013363E-15 Laplacian 0.3529271E+00 (-1/4)Del**2(Rho)) -0.8823177E-01 Diamond 0.3707018E+00 Metallicity 0.3247676E+01 Ellipticity 0.2323948E-01 Gb(Abramov) 0.1065792E+00 Vb(Abramov) -0.1249267E+00 Hb(Abramov) -0.1834745E-01 Ex_ueg -0.2787195E-01 Ec_ueg -0.4462671E-02 Delta_ex -0.3332868E-01 Delta_ec 0.1043212E-01 Delta_et -0.1257142E+00 Pxc 0.6245575E+01 Qxc -0.3194813E+01 3,-1 170 3 -1 2.823303 1.856891 0.610530 Rho 0.1417213E+00 |GRAD(Rho)| 0.4932373E-14 GRAD(Rho)x 0.2118179E-14 GRAD(Rho)y 0.4436528E-14 GRAD(Rho)z -0.3985527E-15 Laplacian 0.5945402E+00 (-1/4)Del**2(Rho)) -0.1486351E+00 Diamond 0.1148291E+01 Metallicity 0.4465025E+01 Ellipticity 0.1268794E-01 Gb(Abramov) 0.2096999E+00 Vb(Abramov) -0.2707648E+00 Hb(Abramov) -0.6106487E-01 Ex_ueg -0.5457143E-01 Ec_ueg -0.7915684E-02 Delta_ex -0.6321230E-01 Delta_ec 0.1573623E-01 Delta_et -0.2087070E+00 Pxc 0.6894089E+01 Qxc -0.4016992E+01 3,-1 171 3 -1 3.047941 2.056900 -0.869951 Rho 0.1362003E+00 |GRAD(Rho)| 0.1873257E-15 GRAD(Rho)x 0.9622294E-17 GRAD(Rho)y 0.1803977E-15 GRAD(Rho)z 0.4954804E-16 Laplacian 0.5479231E+00 (-1/4)Del**2(Rho)) -0.1369808E+00 Diamond 0.1010127E+01 Metallicity 0.4534442E+01 Ellipticity 0.1428957E-01 Gb(Abramov) 0.1948424E+00 Vb(Abramov) -0.2527041E+00 Hb(Abramov) -0.5786164E-01 Ex_ueg -0.5175544E-01 Ec_ueg -0.7566078E-02 Delta_ex -0.5771241E-01 Delta_ec 0.1466564E-01 Delta_et -0.1933366E+00 Pxc 0.6840458E+01 Qxc -0.3935212E+01 3,-1 172 3 -1 2.862439 0.562815 1.859397 Rho 0.1161220E+00 |GRAD(Rho)| 0.1650809E-15 GRAD(Rho)x 0.4934814E-16 GRAD(Rho)y 0.1266348E-15 GRAD(Rho)z 0.9370217E-16 Laplacian 0.4961365E+00 (-1/4)Del**2(Rho)) -0.1240341E+00 Diamond 0.7607341E+00 Metallicity 0.3838864E+01 Ellipticity 0.1468490E-01 Gb(Abramov) 0.1620478E+00 Vb(Abramov) -0.2000614E+00 Hb(Abramov) -0.3801365E-01 Ex_ueg -0.4184122E-01 Ec_ueg -0.6311613E-02 Delta_ex -0.5038702E-01 Delta_ec 0.1392448E-01 Delta_et -0.1787812E+00 Pxc 0.6629243E+01 Qxc -0.3618594E+01 3,-1 173 3 -1 3.186398 3.296422 0.073837 Rho 0.2004435E+00 |GRAD(Rho)| 0.1659026E-14 GRAD(Rho)x 0.1147249E-14 GRAD(Rho)y 0.3507936E-15 GRAD(Rho)z 0.1145920E-14 Laplacian 0.7566010E+00 (-1/4)Del**2(Rho)) -0.1891503E+00 Diamond 0.2161865E+01 Metallicity 0.6252678E+01 Ellipticity 0.3506436E-02 Gb(Abramov) 0.3232161E+00 Vb(Abramov) -0.4572820E+00 Hb(Abramov) -0.1340659E+00 Ex_ueg -0.8663784E-01 Ec_ueg -0.1174770E-01 Delta_ex -0.8730362E-01 Delta_ec 0.1768078E-01 Delta_et -0.2427141E+00 Pxc 0.7374878E+01 Qxc -0.4937769E+01 3,-1 174 3 -1 2.982325 -0.631359 -1.821581 Rho 0.1487911E+00 |GRAD(Rho)| 0.7240853E-15 GRAD(Rho)x 0.5361380E-15 GRAD(Rho)y -0.3603346E-15 GRAD(Rho)z -0.3271309E-15 Laplacian 0.6116917E+00 (-1/4)Del**2(Rho)) -0.1529229E+00 Diamond 0.1248833E+01 Metallicity 0.4706618E+01 Ellipticity 0.2049635E-01 Gb(Abramov) 0.2219069E+00 Vb(Abramov) -0.2908909E+00 Hb(Abramov) -0.6898400E-01 Ex_ueg -0.5823103E-01 Ec_ueg -0.8366174E-02 Delta_ex -0.6577322E-01 Delta_ec 0.1593287E-01 Delta_et -0.2127281E+00 Pxc 0.6960294E+01 Qxc -0.4128147E+01 3,-1 175 3 -1 3.105169 -0.930246 2.023112 Rho 0.1572813E+00 |GRAD(Rho)| 0.5506086E-11 GRAD(Rho)x 0.2429151E-11 GRAD(Rho)y -0.3947161E-11 GRAD(Rho)z -0.2972563E-11 Laplacian 0.6186526E+00 (-1/4)Del**2(Rho)) -0.1546631E+00 Diamond 0.1345691E+01 Metallicity 0.5104597E+01 Ellipticity 0.3403522E-01 Gb(Abramov) 0.2346909E+00 Vb(Abramov) -0.3147187E+00 Hb(Abramov) -0.8002779E-01 Ex_ueg -0.6270293E-01 Ec_ueg -0.8911239E-02 Delta_ex -0.6739200E-01 Delta_ec 0.1582128E-01 Delta_et -0.2127291E+00 Pxc 0.7036387E+01 Qxc -0.4259580E+01 3,-1 176 3 -1 3.314537 0.000122 3.258356 Rho 0.1983905E+00 |GRAD(Rho)| 0.1020814E-11 GRAD(Rho)x -0.6909047E-12 GRAD(Rho)y -0.2124107E-12 GRAD(Rho)z -0.7208286E-12 Laplacian 0.7489676E+00 (-1/4)Del**2(Rho)) -0.1872419E+00 Diamond 0.2118170E+01 Metallicity 0.6208952E+01 Ellipticity 0.8141915E-03 Gb(Abramov) 0.3185906E+00 Vb(Abramov) -0.4499392E+00 Hb(Abramov) -0.1313487E+00 Ex_ueg -0.8545672E-01 Ec_ueg -0.1161038E-01 Delta_ex -0.8622638E-01 Delta_ec 0.1760605E-01 Delta_et -0.2416721E+00 Pxc 0.7360372E+01 Qxc -0.4897543E+01 3,-1 177 3 -1 3.413796 -0.049648 -3.240391 Rho 0.1990221E+00 |GRAD(Rho)| 0.7576858E-15 GRAD(Rho)x -0.5798313E-15 GRAD(Rho)y 0.8007511E-16 GRAD(Rho)z 0.4811147E-15 Laplacian 0.7461073E+00 (-1/4)Del**2(Rho)) -0.1865268E+00 Diamond 0.2118372E+01 Metallicity 0.6265862E+01 Ellipticity 0.6428554E-02 Gb(Abramov) 0.3191431E+00 Vb(Abramov) -0.4517594E+00 Hb(Abramov) -0.1326163E+00 Ex_ueg -0.8581968E-01 Ec_ueg -0.1165260E-01 Delta_ex -0.8596821E-01 Delta_ec 0.1752623E-01 Delta_et -0.2406490E+00 Pxc 0.7364851E+01 Qxc -0.4905118E+01 3,-1 178 3 -1 3.118850 0.874993 -2.017740 Rho 0.1144062E+00 |GRAD(Rho)| 0.1825768E-09 GRAD(Rho)x -0.6646617E-10 GRAD(Rho)y -0.1432864E-09 GRAD(Rho)z -0.9157266E-10 Laplacian 0.4745963E+00 (-1/4)Del**2(Rho)) -0.1186491E+00 Diamond 0.7093160E+00 Metallicity 0.3914759E+01 Ellipticity 0.3181937E-02 Gb(Abramov) 0.1565131E+00 Vb(Abramov) -0.1943772E+00 Hb(Abramov) -0.3786406E-01 Ex_ueg -0.4101896E-01 Ec_ueg -0.6205706E-02 Delta_ex -0.4795288E-01 Delta_ec 0.1322528E-01 Delta_et -0.1691271E+00 Pxc 0.6609879E+01 Qxc -0.3625849E+01 3,-1 179 3 -1 3.209434 -3.388555 -0.106625 Rho 0.1932286E+00 |GRAD(Rho)| 0.2547514E-15 GRAD(Rho)x 0.1151965E-15 GRAD(Rho)y -0.7410522E-16 GRAD(Rho)z 0.2147940E-15 Laplacian 0.7277851E+00 (-1/4)Del**2(Rho)) -0.1819463E+00 Diamond 0.1999712E+01 Metallicity 0.6114989E+01 Ellipticity 0.7723527E-02 Gb(Abramov) 0.3067308E+00 Vb(Abramov) -0.4315152E+00 Hb(Abramov) -0.1247845E+00 Ex_ueg -0.8250500E-01 Ec_ueg -0.1126616E-01 Delta_ex -0.8326732E-01 Delta_ec 0.1730241E-01 Delta_et -0.2371993E+00 Pxc 0.7323261E+01 Qxc -0.4812470E+01 3,-1 180 3 -1 -3.280693 -3.255097 0.058258 Rho 0.1990574E+00 |GRAD(Rho)| 0.9884943E-15 GRAD(Rho)x 0.7233797E-15 GRAD(Rho)y 0.6620681E-15 GRAD(Rho)z -0.1245342E-15 Laplacian 0.7612072E+00 (-1/4)Del**2(Rho)) -0.1903018E+00 Diamond 0.2153748E+01 Metallicity 0.6143379E+01 Ellipticity 0.9178669E-03 Gb(Abramov) 0.3217172E+00 Vb(Abramov) -0.4531326E+00 Hb(Abramov) -0.1314154E+00 Ex_ueg -0.8583993E-01 Ec_ueg -0.1165496E-01 Delta_ex -0.8765768E-01 Delta_ec 0.1778304E-01 Delta_et -0.2438457E+00 Pxc 0.7365100E+01 Qxc -0.4929286E+01 3,-1 181 3 -1 -2.888795 0.586048 -1.762197 Rho 0.1471794E+00 |GRAD(Rho)| 0.5619458E-13 GRAD(Rho)x -0.4262737E-13 GRAD(Rho)y -0.6855261E-14 GRAD(Rho)z 0.3596865E-13 Laplacian 0.6215184E+00 (-1/4)Del**2(Rho)) -0.1553796E+00 Diamond 0.1227499E+01 Metallicity 0.4548878E+01 Ellipticity 0.2423052E-01 Gb(Abramov) 0.2213868E+00 Vb(Abramov) -0.2873941E+00 Hb(Abramov) -0.6600726E-01 Ex_ueg -0.5739152E-01 Ec_ueg -0.8263200E-02 Delta_ex -0.6639794E-01 Delta_ec 0.1577774E-01 Delta_et -0.2093246E+00 Pxc 0.6945436E+01 Qxc -0.4208329E+01 3,-1 182 3 -1 -1.665593 -2.118861 -3.044923 Rho 0.3102781E+00 |GRAD(Rho)| 0.1633502E-13 GRAD(Rho)x -0.1584521E-13 GRAD(Rho)y 0.3742156E-14 GRAD(Rho)z -0.1326098E-14 Laplacian -0.1524900E+01 (-1/4)Del**2(Rho)) 0.3812251E+00 Diamond 0.5202106E+01 Metallicity -0.6426239E+01 Ellipticity 0.3115787E-02 Gb(Abramov) 0.1541572E+00 Vb(Abramov) -0.6895394E+00 Hb(Abramov) -0.5353822E+00 Ex_ueg -0.1551386E+00 Ec_ueg -0.1943271E-01 Delta_ex 0.1497714E+00 Delta_ec 0.5365539E-01 Delta_et -0.1255991E+01 Pxc 0.7983374E+01 Qxc 0.2791358E+01 3,-1 183 3 -1 -0.493829 0.469061 0.489009 Rho 0.1718456E+00 |GRAD(Rho)| 0.4103235E-15 GRAD(Rho)x 0.8847090E-16 GRAD(Rho)y -0.1942890E-15 GRAD(Rho)z -0.3504141E-15 Laplacian 0.4356553E+00 (-1/4)Del**2(Rho)) -0.1089138E+00 Diamond 0.1061506E+01 Metallicity 0.8401710E+01 Ellipticity 0.8934841E-02 Gb(Abramov) 0.2251196E+00 Vb(Abramov) -0.3413254E+00 Hb(Abramov) -0.1162058E+00 Ex_ueg -0.7056182E-01 Ec_ueg -0.9856320E-02 Delta_ex -0.4857308E-01 Delta_ec 0.1100610E-01 Delta_et -0.1499795E+00 Pxc 0.7159043E+01 Qxc -0.4413286E+01 3,-1 184 3 -1 2.040421 -0.889442 3.077247 Rho 0.1269676E+00 |GRAD(Rho)| 0.2622890E-13 GRAD(Rho)x 0.1456294E-13 GRAD(Rho)y 0.1812009E-13 GRAD(Rho)z -0.1214653E-13 Laplacian 0.5141435E+00 (-1/4)Del**2(Rho)) -0.1285359E+00 Diamond 0.8704169E+00 Metallicity 0.4298831E+01 Ellipticity 0.1397774E-01 Gb(Abramov) 0.1777829E+00 Vb(Abramov) -0.2270299E+00 Hb(Abramov) -0.4924703E-01 Ex_ueg -0.4713125E-01 Ec_ueg -0.6985852E-02 Delta_ex -0.5324057E-01 Delta_ec 0.1397467E-01 Delta_et -0.1820540E+00 Pxc 0.6746672E+01 Qxc -0.3809790E+01 3,-1 185 3 -1 0.536942 1.655483 -1.755711 Rho 0.5128737E-01 |GRAD(Rho)| 0.1940174E-15 GRAD(Rho)x 0.6026279E-16 GRAD(Rho)y -0.9792887E-16 GRAD(Rho)z 0.1562725E-15 Laplacian 0.2043469E+00 (-1/4)Del**2(Rho)) -0.5108673E-01 Diamond 0.1065908E+00 Metallicity 0.2387422E+01 Ellipticity 0.1619079E-01 Gb(Abramov) 0.5438541E-01 Vb(Abramov) -0.5768409E-01 Hb(Abramov) -0.3298683E-02 Ex_ueg -0.1407340E-01 Ec_ueg -0.2486158E-02 Delta_ex -0.1690171E-01 Delta_ec 0.6039894E-02 Delta_et -0.6409816E-01 Pxc 0.5660702E+01 Qxc -0.2798345E+01 3,-1 186 3 -1 2.022633 -0.674332 -2.870966 Rho 0.1314952E+00 |GRAD(Rho)| 0.5664469E-14 GRAD(Rho)x -0.1145541E-14 GRAD(Rho)y 0.5428641E-14 GRAD(Rho)z 0.1141841E-14 Laplacian 0.5122084E+00 (-1/4)Del**2(Rho)) -0.1280521E+00 Diamond 0.9191931E+00 Metallicity 0.4574561E+01 Ellipticity 0.1063706E+00 Gb(Abramov) 0.1829984E+00 Vb(Abramov) -0.2379448E+00 Hb(Abramov) -0.5494633E-01 Ex_ueg -0.4938535E-01 Ec_ueg -0.7269683E-02 Delta_ex -0.5366219E-01 Delta_ec 0.1412064E-01 Delta_et -0.1856255E+00 Pxc 0.6793329E+01 Qxc -0.3800265E+01 3,-1 187 3 -1 1.765085 -0.587365 1.734348 Rho 0.3780933E-01 |GRAD(Rho)| 0.3544018E-16 GRAD(Rho)x -0.2724058E-17 GRAD(Rho)y -0.1161981E-16 GRAD(Rho)z -0.3337013E-16 Laplacian 0.1592814E+00 (-1/4)Del**2(Rho)) -0.3982034E-01 Diamond 0.5942767E-01 Metallicity 0.1842665E+01 Ellipticity 0.2230942E-01 Gb(Abramov) 0.3877616E-01 Vb(Abramov) -0.3773197E-01 Hb(Abramov) 0.1044187E-02 Ex_ueg -0.9372390E-02 Ec_ueg -0.1753025E-02 Delta_ex -0.1249200E-01 Delta_ec 0.5225084E-02 Delta_et -0.5117973E-01 Pxc 0.5346409E+01 Qxc -0.2390775E+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 79 133 125 75 153 144 132 142 131 143 183 185 135 123 147 157 139 120 146 140 121 107 141 155 168 162 169 163 179 165 170 158 171 122 173 86 81 93 83 91 69 67 68 85 64 84 180 98 181 101 72 94 76 62 73 96 63 136 60 187 172 161 175 184 176 159 174 186 178 164 177 128 104 154 90 134 152 182 100 115 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 21 21 25 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 36 54 27 53 54 52 52 53 2.454803 2.040671 2.020753 1.993313 1.974168 1.815611 1.706795 1.694846 1.718437 1.734051 2.359205 1.971783 1.989366 1.881182 1.892172 1.767098 2.378536 1.842327 1.898580 1.927068 2.083865 1.771239 2.495086 2.050731 1.878509 2.144568 2.018914 1.826503 2.460313 1.935260 2.038480 1.959983 2.096495 1.812324 2.402242 1.988036 1.937174 1.891774 1.896177 1.765538 2.354208 1.984642 1.930277 2.105642 2.071641 1.814714 2.336675 1.921448 1.942606 1.892185 1.979352 1.765988 2.446095 1.963027 1.924521 2.108040 2.061278 1.812896 2.471594 2.011835 2.163879 1.904612 1.986596 1.816167 2.506011 1.918616 1.981673 2.027032 2.136536 1.815264 3.429164 3.277302 1.017972 3.212417 1.759820 1.656943 1.005981 1.796222 1.011970 2.456852 2.040825 2.020916 1.993579 1.974445 1.815620 1.706802 1.694897 1.718452 1.734076 2.361016 1.972204 1.989788 1.881559 1.892556 1.767113 2.380170 1.842571 1.898892 1.927579 2.084286 1.771246 2.497039 2.050852 1.878574 2.144906 2.019128 1.826512 2.462321 1.935460 2.038702 1.960227 2.096777 1.812334 2.404063 1.988398 1.937657 1.892186 1.896618 1.765551 2.356645 1.984807 1.930478 2.105906 2.072022 1.814721 2.338652 1.921883 1.943032 1.892594 1.980044 1.766001 2.448066 1.963222 1.924733 2.108326 2.061527 1.812905 2.473859 2.012007 2.164144 1.904790 1.986865 1.816186 2.507977 1.918883 1.982221 2.027276 2.136846 1.815279 3.500740 3.278363 1.018031 3.216805 1.760994 1.658736 1.006038 1.799712 1.012056 32 28 25 26 26 25 21 23 24 23 28 29 28 28 27 23 32 27 29 27 27 27 29 25 24 28 25 24 29 27 25 26 29 25 30 25 26 25 29 21 27 24 26 26 25 23 30 25 27 24 26 22 27 25 27 26 29 24 29 27 26 25 25 26 29 25 26 25 26 25 37 35 19 35 25 25 19 26 19 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 As W W Ta Ta W Ta W 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 H H H 2.1317 2.4430 2.4097 2.4067 2.0380 2.1558 2.4009 2.1466 2.4418 2.1502 2.1228 2.1184 -1.0878 -1.0424 -1.1085 -1.1147 -1.0262 -1.0299 -0.9715 -1.0287 -0.8853 -0.9564 -0.9803 -1.0235 -0.9765 -1.0295 -0.9881 -1.0258 -1.0438 -1.0141 -1.0580 -1.0033 -1.0582 -0.9970 -1.0294 -0.8595 -0.9437 -0.9959 -1.0622 -1.0032 -0.9976 -0.9954 -0.8833 -0.8991 -1.0171 -0.9880 -0.8799 -0.9907 -0.8793 -0.9890 -0.9965 0.2806 0.3245 0.2884 2.1341 0.8525 2.1136 2.1114 2.1565 2.1227 2.1105 2.1340 2.1143 2.1232 2.1335 2.1352 1.9405 1.9406 1.9375 1.9325 1.9218 1.9215 1.9283 1.9207 1.8658 1.9344 1.9292 1.9214 1.9276 1.9208 1.9277 1.9320 1.9272 1.9343 1.9259 1.9348 1.9246 1.9362 1.9323 1.8713 1.8684 1.9355 1.9237 1.9348 1.9328 1.9325 1.9503 1.9493 1.9295 1.9344 1.9507 1.9335 1.9501 1.9344 1.9328 0.5698 0.5280 0.5435 6.0990 1.1600 6.0984 6.0983 6.1156 6.0875 6.0989 6.0986 6.0913 6.0913 6.0935 6.1002 5.1130 5.0658 5.1360 5.1468 5.0801 5.0839 5.0145 5.0843 4.9923 4.9937 5.0234 5.0783 5.0212 5.0844 5.0334 5.0686 5.0924 5.0517 5.1075 5.0410 5.1089 5.0337 5.0704 4.9592 5.0486 5.0311 5.1144 5.0404 5.0411 5.0392 4.9023 4.9197 5.0650 5.0295 4.8982 5.0335 4.8985 5.0305 5.0399 0.1496 0.1476 0.1682 2.6007 10.5445 3.3486 3.3538 2.6566 2.5993 3.3599 2.5863 3.3225 2.6009 2.6164 2.6122 0.0343 0.0361 0.0350 0.0354 0.0243 0.0245 0.0287 0.0238 0.0272 0.0282 0.0277 0.0238 0.0277 0.0242 0.0270 0.0252 0.0241 0.0281 0.0245 0.0275 0.0246 0.0271 0.0266 0.0290 0.0268 0.0292 0.0240 0.0280 0.0237 0.0237 0.0307 0.0301 0.0226 0.0241 0.0310 0.0237 0.0307 0.0241 0.0237 0.0000 0.0000 0.0000 14.0346 0.0000 14.0297 14.0298 14.0334 14.0346 14.0298 14.0345 14.0300 14.0344 14.0340 14.0339 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 As W W Ta Ta W Ta W 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 H H H 2.353211 2.309995 2.497813 2.484659 2.322107 2.350875 2.494041 2.364329 2.519072 2.345838 2.341814 2.343067 -1.095292 -1.042095 -1.092306 -1.099084 -1.073013 -1.073936 -1.000186 -1.073400 -0.746813 -1.002251 -0.996222 -1.075717 -1.003619 -1.073898 -1.025381 -0.916895 -1.093053 -1.018904 -1.089420 -1.024870 -1.091317 -1.015868 -1.044072 -0.693628 -0.687918 -1.008582 -1.101163 -1.022964 -1.106721 -1.106038 -0.941838 -0.960261 -1.140421 -1.091174 -0.937655 -1.096491 -0.935965 -1.092774 -1.104566 0.028407 0.028962 0.011579 1.831825 1.744577 1.927847 1.922193 1.811313 1.829240 1.923178 1.849895 1.946755 1.825484 1.835296 1.856617 -0.697935 -0.667611 -0.699202 -0.702289 -0.830094 -0.852592 -0.749117 -0.826581 -0.935561 -0.785317 -0.718135 -0.839279 -0.739582 -0.827420 -0.775445 -0.833477 -0.952275 -0.880931 -0.926297 -0.880521 -0.924434 -0.851460 -0.886793 -0.876823 -0.966580 -0.858227 -0.937403 -0.876183 -1.072569 -1.054278 -0.871289 -0.890485 -1.106979 -1.047420 -0.865351 -1.041486 -0.854678 -1.050123 -1.065892 0.336113 0.285289 0.292492 1.966159 1.677010 2.035173 2.035578 1.937616 1.954238 2.032536 1.979380 2.078159 1.951495 1.963441 1.967749 -0.782463 -0.770345 -0.775724 -0.785228 -0.917559 -0.933927 -0.831112 -0.924621 -0.922458 -0.853239 -0.811575 -0.924025 -0.832091 -0.935327 -0.852395 -0.918833 -0.985227 -0.915239 -0.981804 -0.902594 -0.964857 -0.883179 -0.923636 -0.905432 -0.961666 -0.883327 -0.987678 -0.899742 -1.040089 -1.039538 -0.840908 -0.854372 -1.078097 -1.020834 -0.833280 -1.029158 -0.850896 -1.022296 -1.036700 0.440053 0.283726 0.309158 -11.09889124 9.97088189 -13.11042680 19.86170092 -40.91824900 -7.86623374 18.97440720 18.26871922 35.82539442 22.64952978 -356.5480 421.4462 41.8647 -445.0540 -143.3080 -481.5990 Jun21-2024 08:59:36 Nodes: 1 Procs: 1 Jun21-2024 08:59:38 Nodes: 1 Procs: 1 0 Jun21-2024 08:59:41 Nodes: 1 Procs: 1 Jun21-2024 08:59:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:59:45 Nodes: 1 Procs: 1 Jun21-2024 08:59:48 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:59:52 Nodes: 1 Procs: 1 Jun21-2024 08:59:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:59:57 Nodes: 1 Procs: 1 Jun21-2024 08:59:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 09:00:05 Nodes: 1 Procs: 5 *** (NO TITLE) *** -11 -17.27968421 -17.51882540 -17.59110269 -17.64547747 -17.64786595 -17.66393156 -17.67092916 -17.68111256 -17.68688970 -17.69197305 -17.69539993 -17.69627569 -17.69648215 -17.69596212 -17.69744206 -17.69758637 -17.69782177 -17.69822725 -17.69833607 -17.69844266 -17.69844223 -17.69843815 -17.69843704 GEOMETRY CONVERGED