ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:52:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.05 14.56 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 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:52:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 10.46 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 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 Jun21-2024 20:52:39 Nodes: 1 Procs: 1 Jun21-2024 20:52:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:53:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.07 3.38 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 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 Jun21-2024 20:52:39 Nodes: 1 Procs: 1 Jun21-2024 20:52:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 20:53:00 Nodes: 1 Procs: 1 Jun21-2024 20:53:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:53:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.91 0.05 2.09 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 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 Jun21-2024 20:52:39 Nodes: 1 Procs: 1 Jun21-2024 20:52:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 20:53:00 Nodes: 1 Procs: 1 Jun21-2024 20:53:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 20:53:09 Nodes: 1 Procs: 1 Jun21-2024 20:53:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:53:15 Hydrogen (TZP) c1-27 c1-27 c1-27 c1-27 c1-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.42 0.08 6.39 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 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 Jun21-2024 20:52:39 Nodes: 1 Procs: 1 Jun21-2024 20:52:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 20:53:00 Nodes: 1 Procs: 1 Jun21-2024 20:53:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 20:53:09 Nodes: 1 Procs: 1 Jun21-2024 20:53:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 20:53:15 Nodes: 1 Procs: 1 Jun21-2024 20:53:20 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 20:53:29 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2900.732900000006 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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 20:53:03 1 1 Tantalum TZP 4d t21.W ADF 2019.304 Jun21-2024 20:53:20 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 20:53:12 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun21-2024 20:52:48 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun21-2024 20:52:30 1 1 Hydrogen TZP 1 1 -17.62893952 0.21294335 0.00100000 F 0.08845552 0.00066667 F 0.21294335 0.08845552 0.12223224 0.01000000 F 0.03379621 0.00666667 F Cartesian 2900.732900000006 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3.792471 0.229021 -3.900212 3.894616 -0.185068 -3.786302 -3.782013 0.228111 -3.854629 0.164216 -3.858939 -3.817123 -0.235402 3.783945 3.888416 0.208623 3.802590 3.887465 -0.247148 -3.796377 0.017591 0.006552 -0.014104 -4.380410 3.840172 -1.033017 1 3 -3 0.123733 -2.580537 2.592910 Rho 0.3882646E+07 3,-3 2 3 -3 0.134334 2.581934 -2.647691 Rho 0.3882647E+07 3,-3 3 3 -3 -0.089020 2.607923 2.596585 Rho 0.3882646E+07 3,-3 4 3 -3 -2.496038 2.546577 0.091574 Rho 0.3882646E+07 3,-3 5 3 -3 -2.578299 -0.077867 -2.616200 Rho 0.3882647E+07 3,-3 6 3 -3 2.572218 -0.098266 2.613244 Rho 0.3882647E+07 3,-3 7 3 -3 2.604474 0.129862 -2.594850 Rho 0.3882646E+07 3,-3 8 3 -3 -0.098996 -2.561431 -2.566261 Rho 0.4361414E+07 3,-3 9 3 -3 2.583366 -2.573130 0.123014 Rho 0.4361415E+07 3,-3 10 3 -3 2.591979 2.582953 -0.106115 Rho 0.4361415E+07 3,-3 11 3 -3 -2.575259 -2.552173 -0.103398 Rho 0.4361415E+07 3,-3 12 3 -3 -2.577397 0.124557 2.594428 Rho 0.4361415E+07 3,-3 13 3 -3 0.980550 -0.967103 0.996048 Rho 0.3190128E+03 3,-3 14 3 -3 -0.975566 -0.971256 -0.997928 Rho 0.3190268E+03 3,-3 15 3 -3 0.991374 0.992258 -0.999344 Rho 0.3190229E+03 3,-3 16 3 -3 -0.995274 1.005039 0.947695 Rho 0.3189851E+03 3,-3 17 3 -3 -3.045002 -1.159999 1.155471 Rho 0.3188503E+03 3,-3 18 3 -3 3.018262 -1.223041 -1.144463 Rho 0.3188567E+03 3,-3 19 3 -3 -3.093553 1.192504 -1.180216 Rho 0.3188540E+03 3,-3 20 3 -3 3.044955 1.189415 1.128720 Rho 0.3188475E+03 3,-3 21 3 -3 1.158283 -1.235504 -3.065028 Rho 0.3188572E+03 3,-3 22 3 -3 1.198947 1.206445 3.114536 Rho 0.3188175E+03 3,-3 23 3 -3 -1.191890 1.201074 -3.150605 Rho 0.3188092E+03 3,-3 24 3 -3 -1.222337 -1.150219 3.037975 Rho 0.3188480E+03 3,-3 25 3 -3 -1.170686 3.078424 -1.179986 Rho 0.3188524E+03 3,-3 26 3 -3 -1.198565 -3.023149 1.125005 Rho 0.3188625E+03 3,-3 27 3 -3 1.213871 3.079865 1.151818 Rho 0.3188312E+03 3,-3 28 3 -3 1.121917 -3.022176 -1.132687 Rho 0.3188585E+03 3,-3 29 3 -3 3.469626 -1.593047 1.487554 Rho 0.3189110E+03 3,-3 30 3 -3 -3.446631 -1.568109 -1.501124 Rho 0.3189096E+03 3,-3 31 3 -3 3.495005 1.546278 -1.494839 Rho 0.3188808E+03 3,-3 32 3 -3 -3.458637 1.471137 1.548409 Rho 0.3189190E+03 3,-3 33 3 -3 1.551193 -1.561380 3.504585 Rho 0.3188555E+03 3,-3 34 3 -3 1.579381 1.530521 -3.531564 Rho 0.3188566E+03 3,-3 35 3 -3 -1.575098 1.489631 3.473766 Rho 0.3188956E+03 3,-3 36 3 -3 -1.497081 -1.603140 -3.459781 Rho 0.3189046E+03 3,-3 37 3 -3 -1.526607 -3.438517 -1.503695 Rho 0.3189115E+03 3,-3 38 3 -3 -1.574255 3.479875 1.545482 Rho 0.3188857E+03 3,-3 39 3 -3 1.541912 -3.483763 1.479568 Rho 0.3188921E+03 3,-3 40 3 -3 1.596574 3.452578 -1.506460 Rho 0.3188975E+03 3,-3 41 3 -3 -0.243741 -3.859297 3.803424 Rho 0.3190944E+03 3,-3 42 3 -3 0.222318 -3.846590 -3.720286 Rho 0.3192227E+03 3,-3 43 3 -3 -0.157643 3.888834 -3.849352 Rho 0.3190900E+03 3,-3 44 3 -3 0.200997 3.864508 3.846646 Rho 0.3191002E+03 3,-3 45 3 -3 3.762718 -3.820583 -0.256450 Rho 0.3192139E+03 3,-3 46 3 -3 3.824896 3.792471 0.229021 Rho 0.3192070E+03 3,-3 47 3 -3 -3.900212 3.894616 -0.185068 Rho 0.3186430E+03 3,-3 48 3 -3 -3.786302 -3.782013 0.228111 Rho 0.3192184E+03 3,-3 49 3 -3 -3.854629 0.164216 -3.858939 Rho 0.3190964E+03 3,-3 50 3 -3 -3.817123 -0.235402 3.783945 Rho 0.3192253E+03 3,-3 51 3 -3 3.888416 0.208623 3.802590 Rho 0.3190877E+03 3,-3 52 3 -3 3.887465 -0.247148 -3.796377 Rho 0.3190982E+03 3,-3 53 3 -3 0.017591 0.006552 -0.014104 Rho 0.4276085E+05 3,-3 54 3 -3 -4.380410 3.840172 -1.033017 Rho 0.4686624E+00 3,-3 55 3 +1 -3.002521 -0.141230 -0.164144 Rho 0.5158466E-02 |GRAD(Rho)| 0.1607793E-16 GRAD(Rho)x -0.1513232E-17 GRAD(Rho)y 0.7972467E-17 GRAD(Rho)z -0.1387983E-16 Laplacian 0.2050809E-01 (-1/4)Del**2(Rho)) -0.5127022E-02 Diamond 0.4783081E-03 Metallicity 0.5174745E+00 Ellipticity -0.2894413E+01 Gb(Abramov) 0.3860198E-02 Vb(Abramov) -0.2593375E-02 Hb(Abramov) 0.1266823E-02 Ex_ueg -0.6582828E-03 Ec_ueg -0.1537386E-03 Delta_ex -0.1007615E-02 Delta_ec 0.6132939E-03 Delta_et -0.3375135E-02 Pxc 0.4281831E+01 Qxc -0.1642956E+01 3,+1 56 3 +1 0.546719 1.708775 0.546207 Rho 0.7928383E-02 |GRAD(Rho)| 0.1388489E-16 GRAD(Rho)x -0.2641237E-17 GRAD(Rho)y -0.1322404E-16 GRAD(Rho)z -0.3307364E-17 Laplacian 0.2992065E-01 (-1/4)Del**2(Rho)) -0.7480163E-02 Diamond 0.7217984E-03 Metallicity 0.7260220E+00 Ellipticity -0.1457126E+01 Gb(Abramov) 0.5891902E-02 Vb(Abramov) -0.4303642E-02 Hb(Abramov) 0.1588260E-02 Ex_ueg -0.1167610E-02 Ec_ueg -0.2750310E-03 Delta_ex -0.1341673E-02 Delta_ec 0.4255441E-03 Delta_et -0.2844484E-02 Pxc 0.4245376E+01 Qxc -0.3152841E+01 3,+1 57 3 +1 -0.546761 0.568839 -1.740502 Rho 0.7556399E-02 |GRAD(Rho)| 0.4727459E-15 GRAD(Rho)x -0.6393002E-16 GRAD(Rho)y 0.3501426E-15 GRAD(Rho)z -0.3111298E-15 Laplacian 0.2776196E-01 (-1/4)Del**2(Rho)) -0.6940489E-02 Diamond 0.6097065E-03 Metallicity 0.7222506E+00 Ellipticity -0.1436078E+01 Gb(Abramov) 0.5462455E-02 Vb(Abramov) -0.3984421E-02 Hb(Abramov) 0.1478034E-02 Ex_ueg -0.1095145E-02 Ec_ueg -0.2585313E-03 Delta_ex -0.1220559E-02 Delta_ec 0.3779924E-03 Delta_et -0.2509349E-02 Pxc 0.4236025E+01 Qxc -0.3229056E+01 3,+1 58 3 +1 -1.785000 -1.766304 1.765970 Rho 0.1199455E-01 |GRAD(Rho)| 0.3393438E-12 GRAD(Rho)x -0.6505465E-13 GRAD(Rho)y -0.3138248E-12 GRAD(Rho)z -0.1115170E-12 Laplacian 0.5858662E-01 (-1/4)Del**2(Rho)) -0.1464665E-01 Diamond 0.2281190E-02 Metallicity 0.7392439E+00 Ellipticity -0.1251414E+01 Gb(Abramov) 0.1156901E-01 Vb(Abramov) -0.8491368E-02 Hb(Abramov) 0.3077643E-02 Ex_ueg -0.2027823E-02 Ec_ueg -0.4593172E-03 Delta_ex -0.2860673E-02 Delta_ec 0.7269373E-03 Delta_et -0.5475975E-02 Pxc 0.4414865E+01 Qxc -0.3935240E+01 3,+1 59 3 -1 -1.836390 -2.789616 0.551209 Rho 0.1548171E+00 |GRAD(Rho)| 0.8886410E-12 GRAD(Rho)x 0.6524007E-12 GRAD(Rho)y -0.1818283E-12 GRAD(Rho)z 0.5753214E-12 Laplacian 0.6427596E+00 (-1/4)Del**2(Rho)) -0.1606899E+00 Diamond 0.1341894E+01 Metallicity 0.4785523E+01 Ellipticity 0.9497123E-02 Gb(Abramov) 0.2352908E+00 Vb(Abramov) -0.3098917E+00 Hb(Abramov) -0.7460091E-01 Ex_ueg -0.6139650E-01 Ec_ueg -0.8752587E-02 Delta_ex -0.6946026E-01 Delta_ec 0.1599157E-01 Delta_et -0.2133437E+00 Pxc 0.7014669E+01 Qxc -0.4343554E+01 3,-1 60 3 +1 -1.688364 -0.524919 0.525925 Rho 0.8118355E-02 |GRAD(Rho)| 0.1679207E-13 GRAD(Rho)x 0.1182203E-13 GRAD(Rho)y 0.5078276E-14 GRAD(Rho)z -0.1079001E-13 Laplacian 0.3140808E-01 (-1/4)Del**2(Rho)) -0.7852020E-02 Diamond 0.7834128E-03 Metallicity 0.7194796E+00 Ellipticity -0.1439976E+01 Gb(Abramov) 0.6176242E-02 Vb(Abramov) -0.4500463E-02 Hb(Abramov) 0.1675779E-02 Ex_ueg -0.1205061E-02 Ec_ueg -0.2834818E-03 Delta_ex -0.1417211E-02 Delta_ec 0.4474902E-03 Delta_et -0.3008932E-02 Pxc 0.4250930E+01 Qxc -0.3167022E+01 3,+1 61 3 +1 -1.438389 -1.034125 -2.207353 Rho 0.2545910E-01 |GRAD(Rho)| 0.5459715E-16 GRAD(Rho)x -0.1924546E-16 GRAD(Rho)y 0.1239645E-16 GRAD(Rho)z -0.4956601E-16 Laplacian 0.9743861E-01 (-1/4)Del**2(Rho)) -0.2435965E-01 Diamond 0.1143409E-01 Metallicity 0.1558191E+01 Ellipticity -0.2424006E+01 Gb(Abramov) 0.2256593E-01 Vb(Abramov) -0.2077221E-01 Hb(Abramov) 0.1793720E-02 Ex_ueg -0.5531496E-02 Ec_ueg -0.1111857E-02 Delta_ex -0.5916585E-02 Delta_ec 0.1344381E-02 Delta_et -0.1198764E-01 Pxc 0.4975006E+01 Qxc -0.4400974E+01 3,+1 62 3 -1 -3.024667 -0.864216 -2.020619 Rho 0.1067824E+00 |GRAD(Rho)| 0.1483394E-13 GRAD(Rho)x 0.5528916E-14 GRAD(Rho)y 0.1049810E-13 GRAD(Rho)z -0.8903190E-14 Laplacian 0.4400536E+00 (-1/4)Del**2(Rho)) -0.1100134E+00 Diamond 0.6111620E+00 Metallicity 0.3763632E+01 Ellipticity 0.5550138E-02 Gb(Abramov) 0.1423506E+00 Vb(Abramov) -0.1746878E+00 Hb(Abramov) -0.3233720E-01 Ex_ueg -0.3741549E-01 Ec_ueg -0.5737707E-02 Delta_ex -0.4384223E-01 Delta_ec 0.1261873E-01 Delta_et -0.1594804E+00 Pxc 0.6520982E+01 Qxc -0.3474377E+01 3,-1 63 3 +1 -0.564012 -0.522718 1.675427 Rho 0.7902545E-02 |GRAD(Rho)| 0.1033802E-13 GRAD(Rho)x -0.1096773E-14 GRAD(Rho)y -0.1006406E-13 GRAD(Rho)z 0.2094366E-14 Laplacian 0.3019017E-01 (-1/4)Del**2(Rho)) -0.7547544E-02 Diamond 0.7295559E-03 Metallicity 0.7156366E+00 Ellipticity -0.1448932E+01 Gb(Abramov) 0.5931912E-02 Vb(Abramov) -0.4316281E-02 Hb(Abramov) 0.1615632E-02 Ex_ueg -0.1162540E-02 Ec_ueg -0.2738829E-03 Delta_ex -0.1354913E-02 Delta_ec 0.4334154E-03 Delta_et -0.2891322E-02 Pxc 0.4244659E+01 Qxc -0.3126130E+01 3,+1 64 3 -1 -3.243737 3.246965 -0.078662 Rho 0.1340210E+00 |GRAD(Rho)| 0.5617890E-12 GRAD(Rho)x 0.4037893E-12 GRAD(Rho)y -0.3641798E-12 GRAD(Rho)z 0.1411883E-12 Laplacian 0.5298930E+00 (-1/4)Del**2(Rho)) -0.1324733E+00 Diamond 0.9809489E+00 Metallicity 0.4564357E+01 Ellipticity 0.1117873E+00 Gb(Abramov) 0.1890914E+00 Vb(Abramov) -0.2457095E+00 Hb(Abramov) -0.5661813E-01 Ex_ueg -0.5065420E-01 Ec_ueg -0.7428613E-02 Delta_ex -0.5586099E-01 Delta_ec 0.1470905E-01 Delta_et -0.1942936E+00 Pxc 0.6818796E+01 Qxc -0.3797730E+01 3,-1 65 3 +3 -1.119738 -1.092016 1.122386 Rho 0.4840153E-02 |GRAD(Rho)| 0.2944074E-16 GRAD(Rho)x 0.6288514E-17 GRAD(Rho)y 0.6740243E-17 GRAD(Rho)z -0.2796034E-16 Laplacian 0.1855876E-01 (-1/4)Del**2(Rho)) -0.4639690E-02 Diamond 0.1261332E-03 Metallicity 0.5142362E+00 Ellipticity -0.8143034E-01 Gb(Abramov) 0.3490776E-02 Vb(Abramov) -0.2341862E-02 Hb(Abramov) 0.1148914E-02 Ex_ueg -0.6046868E-03 Ec_ueg -0.1400404E-03 Delta_ex -0.6375461E-03 Delta_ec 0.8551222E-04 Delta_et -0.6622894E-03 Pxc 0.4317945E+01 Qxc -0.7455614E+01 3,+3 66 3 -1 -3.246733 -0.069039 3.236610 Rho 0.2325619E+00 |GRAD(Rho)| 0.6970437E-15 GRAD(Rho)x -0.5107676E-15 GRAD(Rho)y -0.1181509E-15 GRAD(Rho)z 0.4593765E-15 Laplacian 0.8484843E+00 (-1/4)Del**2(Rho)) -0.2121211E+00 Diamond 0.2894975E+01 Metallicity 0.7142778E+01 Ellipticity 0.3440275E-02 Gb(Abramov) 0.3939363E+00 Vb(Abramov) -0.5757516E+00 Hb(Abramov) -0.1818152E+00 Ex_ueg -0.1056258E+00 Ec_ueg -0.1392646E-01 Delta_ex -0.1017078E+00 Delta_ec 0.1897467E-01 Delta_et -0.2627557E+00 Pxc 0.7584540E+01 Qxc -0.5360187E+01 3,-1 67 3 -1 -3.263947 0.051397 -3.283696 Rho 0.2082693E+00 |GRAD(Rho)| 0.7026699E-15 GRAD(Rho)x 0.4560154E-15 GRAD(Rho)y -0.1856290E-15 GRAD(Rho)z 0.5013351E-15 Laplacian 0.7830167E+00 (-1/4)Del**2(Rho)) -0.1957542E+00 Diamond 0.2337859E+01 Metallicity 0.6439977E+01 Ellipticity 0.2914202E-02 Gb(Abramov) 0.3406115E+00 Vb(Abramov) -0.4854689E+00 Hb(Abramov) -0.1448574E+00 Ex_ueg -0.9117704E-01 Ec_ueg -0.1227331E-01 Delta_ex -0.9121061E-01 Delta_ec 0.1804941E-01 Delta_et -0.2482899E+00 Pxc 0.7428889E+01 Qxc -0.5053384E+01 3,-1 68 3 +1 -1.779165 1.785845 -1.822583 Rho 0.1122487E-01 |GRAD(Rho)| 0.2094182E-14 GRAD(Rho)x 0.1663152E-14 GRAD(Rho)y 0.8225531E-15 GRAD(Rho)z -0.9710452E-15 Laplacian 0.5044233E-01 (-1/4)Del**2(Rho)) -0.1261058E-01 Diamond 0.1699891E-02 Metallicity 0.7687536E+00 Ellipticity -0.1255891E+01 Gb(Abramov) 0.1002279E-01 Vb(Abramov) -0.7435004E-02 Hb(Abramov) 0.2587789E-02 Ex_ueg -0.1856210E-02 Ec_ueg -0.4239058E-03 Delta_ex -0.2390622E-02 Delta_ec 0.5732134E-03 Delta_et -0.4293095E-02 Pxc 0.4378826E+01 Qxc -0.4170563E+01 3,+1 69 3 -1 -2.808604 -0.557458 1.828452 Rho 0.1256309E+00 |GRAD(Rho)| 0.2240591E-14 GRAD(Rho)x 0.4112176E-16 GRAD(Rho)y 0.1313538E-14 GRAD(Rho)z 0.1814710E-14 Laplacian 0.5195411E+00 (-1/4)Del**2(Rho)) -0.1298853E+00 Diamond 0.8478606E+00 Metallicity 0.4179788E+01 Ellipticity 0.9508089E-02 Gb(Abramov) 0.1770723E+00 Vb(Abramov) -0.2242594E+00 Hb(Abramov) -0.4718706E-01 Ex_ueg -0.4647084E-01 Ec_ueg -0.6902319E-02 Delta_ex -0.5340418E-01 Delta_ec 0.1369284E-01 Delta_et -0.1772606E+00 Pxc 0.6732641E+01 Qxc -0.3900155E+01 3,-1 70 3 -1 -2.844129 0.595737 -1.853243 Rho 0.1251461E+00 |GRAD(Rho)| 0.2711280E-15 GRAD(Rho)x -0.1331536E-15 GRAD(Rho)y 0.1157386E-15 GRAD(Rho)z 0.2058764E-15 Laplacian 0.5227750E+00 (-1/4)Del**2(Rho)) -0.1306937E+00 Diamond 0.8789904E+00 Metallicity 0.4127249E+01 Ellipticity 0.4509520E-02 Gb(Abramov) 0.1770301E+00 Vb(Abramov) -0.2233664E+00 Hb(Abramov) -0.4633635E-01 Ex_ueg -0.4623188E-01 Ec_ueg -0.6872051E-02 Delta_ex -0.5406477E-01 Delta_ec 0.1446567E-01 Delta_et -0.1883367E+00 Pxc 0.6727523E+01 Qxc -0.3737454E+01 3,-1 71 3 -1 -3.033828 0.841474 2.027648 Rho 0.1523871E+00 |GRAD(Rho)| 0.2669698E-13 GRAD(Rho)x 0.1049978E-13 GRAD(Rho)y -0.1824761E-13 GRAD(Rho)z 0.1641670E-13 Laplacian 0.5988440E+00 (-1/4)Del**2(Rho)) -0.1497110E+00 Diamond 0.1228677E+01 Metallicity 0.5002800E+01 Ellipticity 0.4126239E-01 Gb(Abramov) 0.2246364E+00 Vb(Abramov) -0.2995617E+00 Hb(Abramov) -0.7492536E-01 Ex_ueg -0.6011497E-01 Ec_ueg -0.8596497E-02 Delta_ex -0.6448141E-01 Delta_ec 0.1499316E-01 Delta_et -0.1996897E+00 Pxc 0.6992961E+01 Qxc -0.4300722E+01 3,-1 72 3 -1 -3.228824 -3.215974 0.074638 Rho 0.2312196E+00 |GRAD(Rho)| 0.4064567E-13 GRAD(Rho)x 0.2536941E-13 GRAD(Rho)y 0.3155549E-13 GRAD(Rho)z -0.3565833E-14 Laplacian 0.8472064E+00 (-1/4)Del**2(Rho)) -0.2118016E+00 Diamond 0.2866362E+01 Metallicity 0.7084867E+01 Ellipticity 0.5051313E-02 Gb(Abramov) 0.3912988E+00 Vb(Abramov) -0.5707959E+00 Hb(Abramov) -0.1794972E+00 Ex_ueg -0.1048137E+00 Ec_ueg -0.1383426E-01 Delta_ex -0.1013784E+00 Delta_ec 0.1893623E-01 Delta_et -0.2619803E+00 Pxc 0.7576383E+01 Qxc -0.5353675E+01 3,-1 73 3 -1 -2.803804 1.821564 -0.585433 Rho 0.1363174E+00 |GRAD(Rho)| 0.3341369E-15 GRAD(Rho)x -0.8163365E-16 GRAD(Rho)y 0.7318365E-16 GRAD(Rho)z -0.3156384E-15 Laplacian 0.5854190E+00 (-1/4)Del**2(Rho)) -0.1463547E+00 Diamond 0.1073880E+01 Metallicity 0.4250093E+01 Ellipticity 0.2481910E-01 Gb(Abramov) 0.2012400E+00 Vb(Abramov) -0.2561253E+00 Hb(Abramov) -0.5488529E-01 Ex_ueg -0.5181474E-01 Ec_ueg -0.7573468E-02 Delta_ex -0.6160118E-01 Delta_ec 0.1553497E-01 Delta_et -0.2045706E+00 Pxc 0.6841613E+01 Qxc -0.3965324E+01 3,-1 74 3 +1 -2.200388 1.224771 1.229605 Rho 0.2802539E-01 |GRAD(Rho)| 0.6947946E-16 GRAD(Rho)x 0.6044048E-16 GRAD(Rho)y -0.4752495E-17 GRAD(Rho)z -0.3393755E-16 Laplacian 0.1104220E+00 (-1/4)Del**2(Rho)) -0.2760549E-01 Diamond 0.1852594E-01 Metallicity 0.1613654E+01 Ellipticity -0.2068843E+02 Gb(Abramov) 0.2582795E-01 Vb(Abramov) -0.2405040E-01 Hb(Abramov) 0.1777545E-02 Ex_ueg -0.6287151E-02 Ec_ueg -0.1242212E-02 Delta_ex -0.7232605E-02 Delta_ec 0.2144075E-02 Delta_et -0.1941778E-01 Pxc 0.5061256E+01 Qxc -0.3373298E+01 3,+1 75 3 +1 0.536626 0.594956 1.703226 Rho 0.7495890E-02 |GRAD(Rho)| 0.5889935E-17 GRAD(Rho)x -0.5064867E-17 GRAD(Rho)y 0.2367900E-17 GRAD(Rho)z -0.1852431E-17 Laplacian 0.2768266E-01 (-1/4)Del**2(Rho)) -0.6920666E-02 Diamond 0.6085408E-03 Metallicity 0.7146785E+00 Ellipticity -0.1439732E+01 Gb(Abramov) 0.5438119E-02 Vb(Abramov) -0.3955572E-02 Hb(Abramov) 0.1482547E-02 Ex_ueg -0.1083468E-02 Ec_ueg -0.2558533E-03 Delta_ex -0.1218506E-02 Delta_ec 0.3838614E-03 Delta_et -0.2536988E-02 Pxc 0.4234722E+01 Qxc -0.3174338E+01 3,+1 76 3 -1 -2.993348 1.971239 0.861397 Rho 0.1084956E+00 |GRAD(Rho)| 0.1916683E-15 GRAD(Rho)x 0.3049319E-18 GRAD(Rho)y 0.1804858E-15 GRAD(Rho)z -0.6451003E-16 Laplacian 0.4423127E+00 (-1/4)Del**2(Rho)) -0.1105782E+00 Diamond 0.6217870E+00 Metallicity 0.3845068E+01 Ellipticity 0.1306187E-01 Gb(Abramov) 0.1445822E+00 Vb(Abramov) -0.1785862E+00 Hb(Abramov) -0.3400404E-01 Ex_ueg -0.3821800E-01 Ec_ueg -0.5842498E-02 Delta_ex -0.4416324E-01 Delta_ec 0.1251819E-01 Delta_et -0.1585427E+00 Pxc 0.6541380E+01 Qxc -0.3527925E+01 3,-1 77 3 +3 -2.350761 -0.008513 -0.037619 Rho 0.4332870E-02 |GRAD(Rho)| 0.6809477E-12 GRAD(Rho)x -0.9120215E-13 GRAD(Rho)y -0.6682269E-12 GRAD(Rho)z 0.9404641E-13 Laplacian 0.1751408E-01 (-1/4)Del**2(Rho)) -0.4378520E-02 Diamond 0.1374890E-03 Metallicity 0.4530908E+00 Ellipticity -0.2713171E+00 Gb(Abramov) 0.3249658E-02 Vb(Abramov) -0.2120796E-02 Hb(Abramov) 0.1128862E-02 Ex_ueg -0.5216981E-03 Ec_ueg -0.1183174E-03 Delta_ex -0.6231446E-03 Delta_ec 0.1512792E-03 Delta_et -0.9508973E-03 Pxc 0.4409310E+01 Qxc -0.4119170E+01 3,+3 78 3 -1 -2.808343 -1.808347 0.567902 Rho 0.1424884E+00 |GRAD(Rho)| 0.1490914E-15 GRAD(Rho)x 0.8121352E-16 GRAD(Rho)y -0.1235990E-15 GRAD(Rho)z -0.1886512E-16 Laplacian 0.5889459E+00 (-1/4)Del**2(Rho)) -0.1472365E+00 Diamond 0.1116609E+01 Metallicity 0.4548174E+01 Ellipticity 0.1525994E-01 Gb(Abramov) 0.2097672E+00 Vb(Abramov) -0.2722979E+00 Hb(Abramov) -0.6253069E-01 Ex_ueg -0.5496563E-01 Ec_ueg -0.7964413E-02 Delta_ex -0.6239791E-01 Delta_ec 0.1502929E-01 Delta_et -0.1983775E+00 Pxc 0.6901404E+01 Qxc -0.4151754E+01 3,-1 79 3 +1 -2.024170 -2.016273 -2.028302 Rho 0.1190480E-01 |GRAD(Rho)| 0.1941736E-16 GRAD(Rho)x -0.1425493E-16 GRAD(Rho)y 0.9872324E-17 GRAD(Rho)z 0.8738893E-17 Laplacian 0.5441841E-01 (-1/4)Del**2(Rho)) -0.1360460E-01 Diamond 0.1616193E-02 Metallicity 0.7859667E+00 Ellipticity -0.1081901E+01 Gb(Abramov) 0.1085186E-01 Vb(Abramov) -0.8099123E-02 Hb(Abramov) 0.2752740E-02 Ex_ueg -0.2007619E-02 Ec_ueg -0.4551760E-03 Delta_ex -0.2511382E-02 Delta_ec 0.4244150E-03 Delta_et -0.3393784E-02 Pxc 0.4410642E+01 Qxc -0.5917278E+01 3,+1 80 3 -1 -3.023826 -2.017222 -0.848733 Rho 0.1527466E+00 |GRAD(Rho)| 0.1324940E-15 GRAD(Rho)x -0.6846737E-16 GRAD(Rho)y -0.7532495E-16 GRAD(Rho)z -0.8481171E-16 Laplacian 0.6023428E+00 (-1/4)Del**2(Rho)) -0.1505857E+00 Diamond 0.1238698E+01 Metallicity 0.4993311E+01 Ellipticity 0.3542400E-01 Gb(Abramov) 0.2257107E+00 Vb(Abramov) -0.3008357E+00 Hb(Abramov) -0.7512498E-01 Ex_ueg -0.6030414E-01 Ec_ueg -0.8619567E-02 Delta_ex -0.6488947E-01 Delta_ec 0.1506038E-01 Delta_et -0.2006208E+00 Pxc 0.6996191E+01 Qxc -0.4308620E+01 3,-1 81 3 +1 1.054763 2.193826 -1.464782 Rho 0.2564441E-01 |GRAD(Rho)| 0.5178954E-16 GRAD(Rho)x 0.1593170E-17 GRAD(Rho)y 0.3735196E-16 GRAD(Rho)z -0.3583922E-16 Laplacian 0.9855168E-01 (-1/4)Del**2(Rho)) -0.2463792E-01 Diamond 0.1195885E-01 Metallicity 0.1559327E+01 Ellipticity -0.2574998E+01 Gb(Abramov) 0.2282837E-01 Vb(Abramov) -0.2101883E-01 Hb(Abramov) 0.1809546E-02 Ex_ueg -0.5585243E-02 Ec_ueg -0.1121214E-02 Delta_ex -0.6025271E-02 Delta_ec 0.1411764E-02 Delta_et -0.1259525E-01 Pxc 0.4981425E+01 Qxc -0.4267902E+01 3,+1 82 3 +1 -2.185203 -1.024097 -1.455704 Rho 0.2548518E-01 |GRAD(Rho)| 0.2259595E-16 GRAD(Rho)x -0.9940650E-17 GRAD(Rho)y -0.3101540E-17 GRAD(Rho)z -0.2005346E-16 Laplacian 0.9742145E-01 (-1/4)Del**2(Rho)) -0.2435536E-01 Diamond 0.1161876E-01 Metallicity 0.1561127E+01 Ellipticity -0.2522786E+01 Gb(Abramov) 0.2257388E-01 Vb(Abramov) -0.2079239E-01 Hb(Abramov) 0.1781487E-02 Ex_ueg -0.5539051E-02 Ec_ueg -0.1113173E-02 Delta_ex -0.5935258E-02 Delta_ec 0.1376367E-02 Delta_et -0.1226702E-01 Pxc 0.4975911E+01 Qxc -0.4312264E+01 3,+1 83 3 -1 0.602207 2.845643 1.829022 Rho 0.1185366E+00 |GRAD(Rho)| 0.2306544E-13 GRAD(Rho)x -0.8156290E-14 GRAD(Rho)y 0.1060655E-13 GRAD(Rho)z 0.1878804E-13 Laplacian 0.5059925E+00 (-1/4)Del**2(Rho)) -0.1264981E+00 Diamond 0.7947004E+00 Metallicity 0.3895439E+01 Ellipticity 0.1525911E-01 Gb(Abramov) 0.1664597E+00 Vb(Abramov) -0.2064213E+00 Hb(Abramov) -0.3996159E-01 Ex_ueg -0.4300527E-01 Ec_ueg -0.6461014E-02 Delta_ex -0.5162966E-01 Delta_ec 0.1412021E-01 Delta_et -0.1819623E+00 Pxc 0.6656117E+01 Qxc -0.3656437E+01 3,-1 84 3 -1 -2.000377 -0.882508 -3.049491 Rho 0.1072488E+00 |GRAD(Rho)| 0.1366569E-15 GRAD(Rho)x -0.1175614E-15 GRAD(Rho)y 0.3590064E-16 GRAD(Rho)z 0.5971243E-16 Laplacian 0.4416845E+00 (-1/4)Del**2(Rho)) -0.1104211E+00 Diamond 0.6166373E+00 Metallicity 0.3777072E+01 Ellipticity 0.9695701E-02 Gb(Abramov) 0.1431255E+00 Vb(Abramov) -0.1758299E+00 Hb(Abramov) -0.3270438E-01 Ex_ueg -0.3763354E-01 Ec_ueg -0.5766214E-02 Delta_ex -0.4404903E-01 Delta_ec 0.1265275E-01 Delta_et -0.1600470E+00 Pxc 0.6526560E+01 Qxc -0.3481379E+01 3,-1 85 3 -1 -1.737923 -0.508177 -1.769009 Rho 0.4025500E-01 |GRAD(Rho)| 0.9418604E-16 GRAD(Rho)x -0.8102082E-16 GRAD(Rho)y 0.2131813E-16 GRAD(Rho)z 0.4303690E-16 Laplacian 0.1717891E+00 (-1/4)Del**2(Rho)) -0.4294727E-01 Diamond 0.6991876E-01 Metallicity 0.1896636E+01 Ellipticity 0.1167448E-01 Gb(Abramov) 0.4220740E-01 Vb(Abramov) -0.4146754E-01 Hb(Abramov) 0.7398646E-03 Ex_ueg -0.1018931E-01 Ec_ueg -0.1883748E-02 Delta_ex -0.1368642E-01 Delta_ec 0.5646791E-02 Delta_et -0.5627750E-01 Pxc 0.5409062E+01 Qxc -0.2423753E+01 3,-1 86 3 -1 -1.851373 -0.555345 2.816156 Rho 0.1513454E+00 |GRAD(Rho)| 0.1941329E-15 GRAD(Rho)x -0.1133262E-15 GRAD(Rho)y -0.1003971E-15 GRAD(Rho)z 0.1215120E-15 Laplacian 0.6286274E+00 (-1/4)Del**2(Rho)) -0.1571569E+00 Diamond 0.1277265E+01 Metallicity 0.4711601E+01 Ellipticity 0.1051165E-01 Gb(Abramov) 0.2281813E+00 Vb(Abramov) -0.2992058E+00 Hb(Abramov) -0.7102445E-01 Ex_ueg -0.5956768E-01 Ec_ueg -0.8529694E-02 Delta_ex -0.6755488E-01 Delta_ec 0.1573184E-01 Delta_et -0.2092543E+00 Pxc 0.6983565E+01 Qxc -0.4294148E+01 3,-1 87 3 +1 0.181578 3.011339 -0.176201 Rho 0.5034914E-02 |GRAD(Rho)| 0.5714368E-17 GRAD(Rho)x 0.2250326E-17 GRAD(Rho)y 0.1296282E-18 GRAD(Rho)z 0.5251022E-17 Laplacian 0.1996678E-01 (-1/4)Del**2(Rho)) -0.4991695E-02 Diamond 0.4358754E-03 Metallicity 0.5104562E+00 Ellipticity -0.2436205E+01 Gb(Abramov) 0.3752470E-02 Vb(Abramov) -0.2513246E-02 Hb(Abramov) 0.1239225E-02 Ex_ueg -0.6373448E-03 Ec_ueg -0.1484156E-03 Delta_ex -0.9626658E-03 Delta_ec 0.5726825E-03 Delta_et -0.3139298E-02 Pxc 0.4294325E+01 Qxc -0.1680976E+01 3,+1 88 3 +1 -1.055620 1.439638 2.184801 Rho 0.2399575E-01 |GRAD(Rho)| 0.4455343E-10 GRAD(Rho)x -0.2839668E-10 GRAD(Rho)y -0.3286389E-10 GRAD(Rho)z -0.9929802E-11 Laplacian 0.9035004E-01 (-1/4)Del**2(Rho)) -0.2258751E-01 Diamond 0.1006017E-01 Metallicity 0.1522563E+01 Ellipticity -0.2586291E+01 Gb(Abramov) 0.2079016E-01 Vb(Abramov) -0.1899281E-01 Hb(Abramov) 0.1797352E-02 Ex_ueg -0.5111685E-02 Ec_ueg -0.1038286E-02 Delta_ex -0.5431042E-02 Delta_ec 0.1306203E-02 Delta_et -0.1147375E-01 Pxc 0.4923197E+01 Qxc -0.4157884E+01 3,+1 89 3 -1 -1.754148 0.556292 1.736391 Rho 0.4126086E-01 |GRAD(Rho)| 0.3082374E-16 GRAD(Rho)x -0.1633122E-16 GRAD(Rho)y -0.2548934E-17 GRAD(Rho)z 0.2601725E-16 Laplacian 0.1649944E+00 (-1/4)Del**2(Rho)) -0.4124861E-01 Diamond 0.6332853E-01 Metallicity 0.2057664E+01 Ellipticity 0.2088245E-01 Gb(Abramov) 0.4164503E-01 Vb(Abramov) -0.4204145E-01 Hb(Abramov) -0.3964243E-03 Ex_ueg -0.1053019E-01 Ec_ueg -0.1937830E-02 Delta_ex -0.1288369E-01 Delta_ec 0.4814896E-02 Delta_et -0.4823830E-01 Pxc 0.5434010E+01 Qxc -0.2675798E+01 3,-1 90 3 -1 -1.838612 0.601851 -2.890243 Rho 0.1327595E+00 |GRAD(Rho)| 0.2082757E-15 GRAD(Rho)x -0.1194791E-15 GRAD(Rho)y -0.1705450E-15 GRAD(Rho)z 0.4235165E-17 Laplacian 0.5616741E+00 (-1/4)Del**2(Rho)) -0.1404185E+00 Diamond 0.1003175E+01 Metallicity 0.4238752E+01 Ellipticity 0.1499842E-01 Gb(Abramov) 0.1928122E+00 Vb(Abramov) -0.2452059E+00 Hb(Abramov) -0.5239371E-01 Ex_ueg -0.5001947E-01 Ec_ueg -0.7349184E-02 Delta_ex -0.5878644E-01 Delta_ec 0.1510547E-01 Delta_et -0.1982664E+00 Pxc 0.6806126E+01 Qxc -0.3891732E+01 3,-1 91 3 +1 0.111882 0.098328 -3.024830 Rho 0.4714713E-02 |GRAD(Rho)| 0.5280310E-17 GRAD(Rho)x -0.5091745E-17 GRAD(Rho)y -0.1190196E-17 GRAD(Rho)z -0.7343337E-18 Laplacian 0.1795692E-01 (-1/4)Del**2(Rho)) -0.4489231E-02 Diamond 0.3824217E-03 Metallicity 0.5087136E+00 Ellipticity -0.3969202E+01 Gb(Abramov) 0.3373443E-02 Vb(Abramov) -0.2257655E-02 Hb(Abramov) 0.1115788E-02 Ex_ueg -0.5838825E-03 Ec_ueg -0.1346565E-03 Delta_ex -0.8782225E-03 Delta_ec 0.5573074E-03 Delta_et -0.2976996E-02 Pxc 0.4336089E+01 Qxc -0.1575831E+01 3,+1 92 3 +3 -1.102361 1.109776 -1.200597 Rho 0.4851353E-02 |GRAD(Rho)| 0.8893172E-16 GRAD(Rho)x -0.8276775E-16 GRAD(Rho)y 0.3110883E-16 GRAD(Rho)z -0.9517878E-17 Laplacian 0.1743446E-01 (-1/4)Del**2(Rho)) -0.4358614E-02 Diamond 0.1109074E-03 Metallicity 0.5495108E+00 Ellipticity -0.1239235E+00 Gb(Abramov) 0.3304927E-02 Vb(Abramov) -0.2251240E-02 Hb(Abramov) 0.1053687E-02 Ex_ueg -0.6065532E-03 Ec_ueg -0.1405215E-03 Delta_ex -0.5916107E-03 Delta_ec 0.6659355E-04 Delta_et -0.5540580E-03 Pxc 0.4316443E+01 Qxc -0.8883905E+01 3,+3 93 3 +1 -1.695515 0.535134 -0.594738 Rho 0.8146284E-02 |GRAD(Rho)| 0.1568483E-16 GRAD(Rho)x -0.1461868E-16 GRAD(Rho)y -0.1841251E-17 GRAD(Rho)z -0.5377533E-17 Laplacian 0.3055371E-01 (-1/4)Del**2(Rho)) -0.7638427E-02 Diamond 0.7280499E-03 Metallicity 0.7438439E+00 Ellipticity -0.1420853E+01 Gb(Abramov) 0.6039251E-02 Vb(Abramov) -0.4440075E-02 Hb(Abramov) 0.1599176E-02 Ex_ueg -0.1210592E-02 Ec_ueg -0.2847255E-03 Delta_ex -0.1361627E-02 Delta_ec 0.4027814E-03 Delta_et -0.2737245E-02 Pxc 0.4251785E+01 Qxc -0.3380561E+01 3,+1 94 3 -1 -2.032850 0.852862 3.048126 Rho 0.1566693E+00 |GRAD(Rho)| 0.2082831E-13 GRAD(Rho)x -0.1235729E-13 GRAD(Rho)y -0.1469850E-13 GRAD(Rho)z -0.8066586E-14 Laplacian 0.6066369E+00 (-1/4)Del**2(Rho)) -0.1516592E+00 Diamond 0.1290911E+01 Metallicity 0.5171989E+01 Ellipticity 0.3362045E-01 Gb(Abramov) 0.2318361E+00 Vb(Abramov) -0.3120130E+00 Hb(Abramov) -0.8017690E-01 Ex_ueg -0.6237784E-01 Ec_ueg -0.8871804E-02 Delta_ex -0.6580836E-01 Delta_ec 0.1515182E-01 Delta_et -0.2027110E+00 Pxc 0.7031021E+01 Qxc -0.4343265E+01 3,-1 95 3 +3 -1.961731 -1.948927 -1.966965 Rho 0.1188829E-01 |GRAD(Rho)| 0.2296850E-16 GRAD(Rho)x 0.1573225E-16 GRAD(Rho)y -0.1532999E-16 GRAD(Rho)z 0.6711184E-17 Laplacian 0.5401665E-01 (-1/4)Del**2(Rho)) -0.1350416E-01 Diamond 0.1349817E-02 Metallicity 0.7899832E+00 Ellipticity -0.8924121E+00 Gb(Abramov) 0.1078078E-01 Vb(Abramov) -0.8057407E-02 Hb(Abramov) 0.2723377E-02 Ex_ueg -0.2003907E-02 Ec_ueg -0.4544145E-03 Delta_ex -0.2418321E-02 Delta_ec 0.2899644E-03 Delta_et -0.2486819E-02 Pxc 0.4409866E+01 Qxc -0.8340063E+01 3,+3 96 3 +1 -1.246577 -2.180570 -1.217174 Rho 0.2748660E-01 |GRAD(Rho)| 0.1065254E-13 GRAD(Rho)x -0.1892087E-14 GRAD(Rho)y -0.9851784E-14 GRAD(Rho)z -0.3583146E-14 Laplacian 0.1118120E+00 (-1/4)Del**2(Rho)) -0.2795299E-01 Diamond 0.1826183E-01 Metallicity 0.1542861E+01 Ellipticity -0.8231031E+01 Gb(Abramov) 0.2582326E-01 Vb(Abramov) -0.2369352E-01 Hb(Abramov) 0.2129736E-02 Ex_ueg -0.6126510E-02 Ec_ueg -0.1214708E-02 Delta_ex -0.7285974E-02 Delta_ec 0.2170444E-02 Delta_et -0.1956082E-01 Pxc 0.5043609E+01 Qxc -0.3356905E+01 3,+1 97 3 -1 -1.710695 1.741763 0.505717 Rho 0.5432300E-01 |GRAD(Rho)| 0.1420187E-15 GRAD(Rho)x -0.1331011E-15 GRAD(Rho)y 0.4766932E-16 GRAD(Rho)z -0.1345512E-16 Laplacian 0.2333743E+00 (-1/4)Del**2(Rho)) -0.5834359E-01 Diamond 0.1408990E+00 Metallicity 0.2300733E+01 Ellipticity 0.1953712E-01 Gb(Abramov) 0.6126789E-01 Vb(Abramov) -0.6419220E-01 Hb(Abramov) -0.2924308E-02 Ex_ueg -0.1519486E-01 Ec_ueg -0.2655191E-02 Delta_ex -0.1994330E-01 Delta_ec 0.7533344E-02 Delta_et -0.8137415E-01 Pxc 0.5722700E+01 Qxc -0.2647337E+01 3,-1 98 3 +1 -0.192124 -2.960201 -0.165625 Rho 0.5797165E-02 |GRAD(Rho)| 0.3598521E-15 GRAD(Rho)x -0.2692650E-15 GRAD(Rho)y -0.3273470E-16 GRAD(Rho)z -0.2364706E-15 Laplacian 0.2377067E-01 (-1/4)Del**2(Rho)) -0.5942669E-02 Diamond 0.6495439E-03 Metallicity 0.5423310E+00 Ellipticity -0.3081318E+01 Gb(Abramov) 0.4498928E-02 Vb(Abramov) -0.3055187E-02 Hb(Abramov) 0.1443741E-02 Ex_ueg -0.7691410E-03 Ec_ueg -0.1813777E-03 Delta_ex -0.1196016E-02 Delta_ec 0.7120213E-03 Delta_et -0.4056733E-02 Pxc 0.4240548E+01 Qxc -0.1679748E+01 3,+1 99 3 -1 -1.741253 -1.726825 -0.540643 Rho 0.4386794E-01 |GRAD(Rho)| 0.2169126E-15 GRAD(Rho)x 0.1758881E-15 GRAD(Rho)y 0.9017555E-16 GRAD(Rho)z -0.8934673E-16 Laplacian 0.1762562E+00 (-1/4)Del**2(Rho)) -0.4406405E-01 Diamond 0.7389283E-01 Metallicity 0.2133278E+01 Ellipticity 0.2285522E-01 Gb(Abramov) 0.4504284E-01 Vb(Abramov) -0.4602164E-01 Hb(Abramov) -0.9787975E-03 Ex_ueg -0.1142654E-01 Ec_ueg -0.2078830E-02 Delta_ex -0.1399412E-01 Delta_ec 0.5174592E-02 Delta_et -0.5269954E-01 Pxc 0.5496619E+01 Qxc -0.2704390E+01 3,-1 100 3 +1 -0.531189 -1.667344 0.542088 Rho 0.8346624E-02 |GRAD(Rho)| 0.1171412E-14 GRAD(Rho)x -0.9369112E-15 GRAD(Rho)y -0.4999151E-15 GRAD(Rho)z -0.4944575E-15 Laplacian 0.3203151E-01 (-1/4)Del**2(Rho)) -0.8007879E-02 Diamond 0.8339464E-03 Metallicity 0.7388458E+00 Ellipticity -0.1467306E+01 Gb(Abramov) 0.6324684E-02 Vb(Abramov) -0.4641489E-02 Hb(Abramov) 0.1683195E-02 Ex_ueg -0.1250450E-02 Ec_ueg -0.2936577E-03 Delta_ex -0.1457447E-02 Delta_ec 0.4599190E-03 Delta_et -0.3111895E-02 Pxc 0.4258188E+01 Qxc -0.3168921E+01 3,+1 101 3 -1 -1.785181 2.818259 -0.587171 Rho 0.1509460E+00 |GRAD(Rho)| 0.2205774E-13 GRAD(Rho)x -0.1589833E-13 GRAD(Rho)y -0.6291544E-14 GRAD(Rho)z 0.1393568E-13 Laplacian 0.6315549E+00 (-1/4)Del**2(Rho)) -0.1578887E+00 Diamond 0.1306023E+01 Metallicity 0.4669151E+01 Ellipticity 0.2309586E-01 Gb(Abramov) 0.2281269E+00 Vb(Abramov) -0.2983650E+00 Hb(Abramov) -0.7023815E-01 Ex_ueg -0.5935816E-01 Ec_ueg -0.8504097E-02 Delta_ex -0.6809074E-01 Delta_ec 0.1628957E-01 Delta_et -0.2177118E+00 Pxc 0.6979948E+01 Qxc -0.4180020E+01 3,-1 102 3 -1 -1.998941 3.031365 0.865663 Rho 0.1373650E+00 |GRAD(Rho)| 0.4790297E-13 GRAD(Rho)x -0.2398929E-13 GRAD(Rho)y -0.1902711E-13 GRAD(Rho)z -0.3683989E-13 Laplacian 0.5603798E+00 (-1/4)Del**2(Rho)) -0.1400950E+00 Diamond 0.1033761E+01 Metallicity 0.4497015E+01 Ellipticity 0.7694809E-02 Gb(Abramov) 0.1983982E+00 Vb(Abramov) -0.2567014E+00 Hb(Abramov) -0.5830321E-01 Ex_ueg -0.5234638E-01 Ec_ueg -0.7639668E-02 Delta_ex -0.5903433E-01 Delta_ec 0.1476952E-01 Delta_et -0.1945816E+00 Pxc 0.6851919E+01 Qxc -0.3997039E+01 3,-1 103 3 +3 -0.018875 0.046376 2.360062 Rho 0.4062489E-02 |GRAD(Rho)| 0.3699962E-11 GRAD(Rho)x -0.2951370E-11 GRAD(Rho)y -0.1286086E-11 GRAD(Rho)z 0.1823491E-11 Laplacian 0.1597550E-01 (-1/4)Del**2(Rho)) -0.3993875E-02 Diamond 0.1151588E-03 Metallicity 0.4461481E+00 Ellipticity -0.2149232E+00 Gb(Abramov) 0.2959560E-02 Vb(Abramov) -0.1925245E-02 Hb(Abramov) 0.1034315E-02 Ex_ueg -0.4787491E-03 Ec_ueg -0.1067937E-03 Delta_ex -0.5594084E-03 Delta_ec 0.1385250E-03 Delta_et -0.8567180E-03 Pxc 0.4482934E+01 Qxc -0.4038320E+01 3,+3 104 3 +1 -0.514561 1.698880 -0.592245 Rho 0.8363914E-02 |GRAD(Rho)| 0.1370973E-14 GRAD(Rho)x -0.9954589E-15 GRAD(Rho)y 0.5778463E-16 GRAD(Rho)z 0.9408984E-15 Laplacian 0.3153115E-01 (-1/4)Del**2(Rho)) -0.7882787E-02 Diamond 0.7918585E-03 Metallicity 0.7531635E+00 Ellipticity -0.1444108E+01 Gb(Abramov) 0.6244696E-02 Vb(Abramov) -0.4606605E-02 Hb(Abramov) 0.1638091E-02 Ex_ueg -0.1253904E-02 Ec_ueg -0.2944294E-03 Delta_ex -0.1420754E-02 Delta_ec 0.4265376E-03 Delta_et -0.2908612E-02 Pxc 0.4258761E+01 Qxc -0.3330901E+01 3,+1 105 3 +1 -1.020112 2.203838 1.457422 Rho 0.2559051E-01 |GRAD(Rho)| 0.4724084E-14 GRAD(Rho)x 0.7793373E-15 GRAD(Rho)y 0.1793846E-14 GRAD(Rho)z -0.4300200E-14 Laplacian 0.9581689E-01 (-1/4)Del**2(Rho)) -0.2395422E-01 Diamond 0.1065115E-01 Metallicity 0.1598218E+01 Ellipticity -0.2224420E+01 Gb(Abramov) 0.2235016E-01 Vb(Abramov) -0.2074609E-01 Hb(Abramov) 0.1604064E-02 Ex_ueg -0.5569595E-02 Ec_ueg -0.1118491E-02 Delta_ex -0.5755514E-02 Delta_ec 0.1195511E-02 Delta_et -0.1070596E-01 Pxc 0.4979561E+01 Qxc -0.4814271E+01 3,+1 106 3 +1 0.187332 -2.975039 0.221138 Rho 0.5682780E-02 |GRAD(Rho)| 0.1494277E-11 GRAD(Rho)x 0.1042121E-11 GRAD(Rho)y -0.4244256E-12 GRAD(Rho)z 0.9832155E-12 Laplacian 0.2299872E-01 (-1/4)Del**2(Rho)) -0.5749680E-02 Diamond 0.5461620E-03 Metallicity 0.5422225E+00 Ellipticity -0.2020917E+01 Gb(Abramov) 0.4352721E-02 Vb(Abramov) -0.2955762E-02 Hb(Abramov) 0.1396959E-02 Ex_ueg -0.7489730E-03 Ec_ueg -0.1764129E-03 Delta_ex -0.1101166E-02 Delta_ec 0.5971304E-03 Delta_et -0.3420380E-02 Pxc 0.4245568E+01 Qxc -0.1844096E+01 3,+1 107 3 +1 2.213818 1.097600 -1.385919 Rho 0.2574058E-01 |GRAD(Rho)| 0.5481376E-14 GRAD(Rho)x 0.2403819E-14 GRAD(Rho)y -0.2725517E-14 GRAD(Rho)z -0.4103498E-14 Laplacian 0.9894343E-01 (-1/4)Del**2(Rho)) -0.2473586E-01 Diamond 0.1319094E-01 Metallicity 0.1562872E+01 Ellipticity -0.3658639E+01 Gb(Abramov) 0.2293373E-01 Vb(Abramov) -0.2113161E-01 Hb(Abramov) 0.1802123E-02 Ex_ueg -0.5613187E-02 Ec_ueg -0.1126073E-02 Delta_ex -0.6172663E-02 Delta_ec 0.1626685E-02 Delta_et -0.1447275E-01 Pxc 0.4984745E+01 Qxc -0.3794626E+01 3,+1 108 3 +1 0.542576 -1.662679 -0.520046 Rho 0.8750284E-02 |GRAD(Rho)| 0.1015078E-16 GRAD(Rho)x -0.9604745E-17 GRAD(Rho)y -0.3646874E-19 GRAD(Rho)z -0.3284178E-17 Laplacian 0.3389486E-01 (-1/4)Del**2(Rho)) -0.8473716E-02 Diamond 0.9403382E-03 Metallicity 0.7554102E+00 Ellipticity -0.1475250E+01 Gb(Abramov) 0.6715999E-02 Vb(Abramov) -0.4958282E-02 Hb(Abramov) 0.1757717E-02 Ex_ueg -0.1331725E-02 Ec_ueg -0.3117092E-03 Delta_ex -0.1560365E-02 Delta_ec 0.4860702E-03 Delta_et -0.3329727E-02 Pxc 0.4272331E+01 Qxc -0.3210164E+01 3,+1 109 3 -1 -0.855633 -3.009049 -1.991721 Rho 0.1292501E+00 |GRAD(Rho)| 0.1405003E-12 GRAD(Rho)x -0.1021639E-12 GRAD(Rho)y -0.5290187E-13 GRAD(Rho)z 0.8064903E-13 Laplacian 0.5085823E+00 (-1/4)Del**2(Rho)) -0.1271456E+00 Diamond 0.8593408E+00 Metallicity 0.4476828E+01 Ellipticity 0.3964760E-01 Gb(Abramov) 0.1796318E+00 Vb(Abramov) -0.2321181E+00 Hb(Abramov) -0.5248627E-01 Ex_ueg -0.4826435E-01 Ec_ueg -0.7128773E-02 Delta_ex -0.5264296E-01 Delta_ec 0.1332556E-01 Delta_et -0.1733350E+00 Pxc 0.6770358E+01 Qxc -0.3950526E+01 3,-1 110 3 -1 -0.569237 1.846369 -2.904794 Rho 0.1265039E+00 |GRAD(Rho)| 0.9236979E-12 GRAD(Rho)x -0.6186124E-12 GRAD(Rho)y -0.6486849E-12 GRAD(Rho)z -0.2230341E-12 Laplacian 0.5329261E+00 (-1/4)Del**2(Rho)) -0.1332315E+00 Diamond 0.9024771E+00 Metallicity 0.4122108E+01 Ellipticity 0.2179200E-01 Gb(Abramov) 0.1803535E+00 Vb(Abramov) -0.2274754E+00 Hb(Abramov) -0.4712196E-01 Ex_ueg -0.4690189E-01 Ec_ueg -0.6956860E-02 Delta_ex -0.5519014E-01 Delta_ec 0.1459182E-01 Delta_et -0.1901380E+00 Pxc 0.6741818E+01 Qxc -0.3782266E+01 3,-1 111 3 +1 1.674038 -0.544786 -0.559933 Rho 0.8430654E-02 |GRAD(Rho)| 0.8138977E-17 GRAD(Rho)x -0.1918483E-17 GRAD(Rho)y -0.5321428E-17 GRAD(Rho)z 0.5851902E-17 Laplacian 0.3202126E-01 (-1/4)Del**2(Rho)) -0.8005315E-02 Diamond 0.8544498E-03 Metallicity 0.7515251E+00 Ellipticity -0.1497650E+01 Gb(Abramov) 0.6339576E-02 Vb(Abramov) -0.4673837E-02 Hb(Abramov) 0.1665739E-02 Ex_ueg -0.1267263E-02 Ec_ueg -0.2974095E-03 Delta_ex -0.1464970E-02 Delta_ec 0.4674693E-03 Delta_et -0.3165030E-02 Pxc 0.4261004E+01 Qxc -0.3133830E+01 3,+1 112 3 +3 1.100599 1.140503 1.154792 Rho 0.4778102E-02 |GRAD(Rho)| 0.5445253E-14 GRAD(Rho)x 0.1953504E-14 GRAD(Rho)y 0.4558553E-14 GRAD(Rho)z 0.2248153E-14 Laplacian 0.1766308E-01 (-1/4)Del**2(Rho)) -0.4415771E-02 Diamond 0.1143955E-03 Metallicity 0.5288173E+00 Ellipticity -0.4351197E-01 Gb(Abramov) 0.3333036E-02 Vb(Abramov) -0.2250302E-02 Hb(Abramov) 0.1082734E-02 Ex_ueg -0.5943728E-03 Ec_ueg -0.1373761E-03 Delta_ex -0.6011184E-03 Delta_ec 0.7513320E-04 Delta_et -0.5979267E-03 Pxc 0.4326608E+01 Qxc -0.8000703E+01 3,+3 113 3 +3 -0.002806 -2.286765 0.027554 Rho 0.4687282E-02 |GRAD(Rho)| 0.8964234E-17 GRAD(Rho)x 0.7234714E-17 GRAD(Rho)y -0.1874739E-17 GRAD(Rho)z -0.4949925E-17 Laplacian 0.1914508E-01 (-1/4)Del**2(Rho)) -0.4786270E-02 Diamond 0.1610412E-03 Metallicity 0.4725247E+00 Ellipticity -0.3554028E+00 Gb(Abramov) 0.3567785E-02 Vb(Abramov) -0.2349300E-02 Hb(Abramov) 0.1218485E-02 Ex_ueg -0.5793574E-03 Ec_ueg -0.1334802E-03 Delta_ex -0.6888447E-03 Delta_ec 0.1541892E-03 Delta_et -0.1003878E-02 Pxc 0.4340399E+01 Qxc -0.4467528E+01 3,+3 114 3 -1 -0.064244 -2.961626 -0.034492 Rho 0.5820170E-02 |GRAD(Rho)| 0.2812110E-17 GRAD(Rho)x 0.5432603E-18 GRAD(Rho)y 0.2453236E-18 GRAD(Rho)z 0.2748208E-17 Laplacian 0.2304982E-01 (-1/4)Del**2(Rho)) -0.5762456E-02 Diamond 0.7491154E-03 Metallicity 0.5629955E+00 Ellipticity 0.2513740E+01 Gb(Abramov) 0.4382343E-02 Vb(Abramov) -0.3002231E-02 Hb(Abramov) 0.1380112E-02 Ex_ueg -0.7732132E-03 Ec_ueg -0.1823770E-03 Delta_ex -0.1248561E-02 Delta_ec 0.8473524E-03 Delta_et -0.4768099E-02 Pxc 0.4239642E+01 Qxc -0.1473485E+01 3,-1 115 3 -1 -0.576520 -2.804039 1.813606 Rho 0.1117023E+00 |GRAD(Rho)| 0.7011599E-16 GRAD(Rho)x -0.7480995E-17 GRAD(Rho)y 0.6949397E-16 GRAD(Rho)z -0.5556536E-17 Laplacian 0.4840171E+00 (-1/4)Del**2(Rho)) -0.1210043E+00 Diamond 0.7122262E+00 Metallicity 0.3688553E+01 Ellipticity 0.1692241E-01 Gb(Abramov) 0.1550580E+00 Vb(Abramov) -0.1891116E+00 Hb(Abramov) -0.3405368E-01 Ex_ueg -0.3973146E-01 Ec_ueg -0.6039231E-02 Delta_ex -0.4876875E-01 Delta_ec 0.1380761E-01 Delta_et -0.1761345E+00 Pxc 0.6578894E+01 Qxc -0.3532020E+01 3,-1 116 3 -1 0.546888 1.747081 -1.785997 Rho 0.4025671E-01 |GRAD(Rho)| 0.1542395E-13 GRAD(Rho)x -0.4537605E-14 GRAD(Rho)y 0.8320261E-14 GRAD(Rho)z -0.1216888E-13 Laplacian 0.1725093E+00 (-1/4)Del**2(Rho)) -0.4312734E-01 Diamond 0.7016362E-01 Metallicity 0.1888851E+01 Ellipticity 0.1448581E-01 Gb(Abramov) 0.4232841E-01 Vb(Abramov) -0.4152948E-01 Hb(Abramov) 0.7989300E-03 Ex_ueg -0.1018989E-01 Ec_ueg -0.1883840E-02 Delta_ex -0.1374094E-01 Delta_ec 0.5665090E-02 Delta_et -0.5645995E-01 Pxc 0.5409105E+01 Qxc -0.2425547E+01 3,-1 117 3 -1 -0.845099 -2.040596 -3.026957 Rho 0.1538702E+00 |GRAD(Rho)| 0.4250804E-13 GRAD(Rho)x 0.4090204E-13 GRAD(Rho)y 0.1148211E-13 GRAD(Rho)z 0.1455216E-14 Laplacian 0.5987514E+00 (-1/4)Del**2(Rho)) -0.1496879E+00 Diamond 0.1246498E+01 Metallicity 0.5084998E+01 Ellipticity 0.3417890E-01 Gb(Abramov) 0.2266523E+00 Vb(Abramov) -0.3036168E+00 Hb(Abramov) -0.7696446E-01 Ex_ueg -0.6089633E-01 Ec_ueg -0.8691721E-02 Delta_ex -0.6466085E-01 Delta_ec 0.1501696E-01 Delta_et -0.2004157E+00 Pxc 0.7006245E+01 Qxc -0.4305856E+01 3,-1 118 3 -1 -0.873040 2.010502 3.046341 Rho 0.1055291E+00 |GRAD(Rho)| 0.6765495E-16 GRAD(Rho)x -0.5801837E-16 GRAD(Rho)y -0.3369158E-16 GRAD(Rho)z 0.8714275E-17 Laplacian 0.4340013E+00 (-1/4)Del**2(Rho)) -0.1085003E+00 Diamond 0.5939033E+00 Metallicity 0.3741760E+01 Ellipticity 0.7757530E-02 Gb(Abramov) 0.1399973E+00 Vb(Abramov) -0.1714942E+00 Hb(Abramov) -0.3149692E-01 Ex_ueg -0.3683111E-01 Ec_ueg -0.5661186E-02 Delta_ex -0.4311545E-01 Delta_ec 0.1246802E-01 Delta_et -0.1571956E+00 Pxc 0.6505899E+01 Qxc -0.3458083E+01 3,-1 119 3 +3 0.040786 2.370193 -0.027066 Rho 0.4291822E-02 |GRAD(Rho)| 0.7030449E-17 GRAD(Rho)x -0.1435010E-17 GRAD(Rho)y -0.6881885E-17 GRAD(Rho)z -0.8735418E-19 Laplacian 0.1724118E-01 (-1/4)Del**2(Rho)) -0.4310295E-02 Diamond 0.1350693E-03 Metallicity 0.4530183E+00 Ellipticity -0.3175950E+00 Gb(Abramov) 0.3198971E-02 Vb(Abramov) -0.2087646E-02 Hb(Abramov) 0.1111325E-02 Ex_ueg -0.5151188E-03 Ec_ueg -0.1165655E-03 Delta_ex -0.6136009E-03 Delta_ec 0.1518888E-03 Delta_et -0.9481484E-03 Pxc 0.4419136E+01 Qxc -0.4039803E+01 3,+3 120 3 -1 -0.556443 2.836937 -1.870205 Rho 0.1124424E+00 |GRAD(Rho)| 0.5972393E-14 GRAD(Rho)x -0.8778785E-15 GRAD(Rho)y -0.2953875E-14 GRAD(Rho)z 0.5115998E-14 Laplacian 0.4773834E+00 (-1/4)Del**2(Rho)) -0.1193458E+00 Diamond 0.7089570E+00 Metallicity 0.3781196E+01 Ellipticity 0.5767582E-02 Gb(Abramov) 0.1547756E+00 Vb(Abramov) -0.1902053E+00 Hb(Abramov) -0.3542973E-01 Ex_ueg -0.4008283E-01 Ec_ueg -0.6084743E-02 Delta_ex -0.4818760E-01 Delta_ec 0.1362138E-01 Delta_et -0.1740120E+00 Pxc 0.6587432E+01 Qxc -0.3537645E+01 3,-1 121 3 -1 -0.874995 3.062246 2.035961 Rho 0.1168504E+00 |GRAD(Rho)| 0.9212680E-16 GRAD(Rho)x 0.5290907E-16 GRAD(Rho)y 0.6642094E-16 GRAD(Rho)z 0.3572446E-16 Laplacian 0.4827281E+00 (-1/4)Del**2(Rho)) -0.1206820E+00 Diamond 0.7389921E+00 Metallicity 0.3986829E+01 Ellipticity 0.1207520E-01 Gb(Abramov) 0.1606445E+00 Vb(Abramov) -0.2006069E+00 Hb(Abramov) -0.3996243E-01 Ex_ueg -0.4219154E-01 Ec_ueg -0.6356640E-02 Delta_ex -0.4900337E-01 Delta_ec 0.1336088E-01 Delta_et -0.1714893E+00 Pxc 0.6637396E+01 Qxc -0.3667677E+01 3,-1 122 3 -1 -0.526149 -1.731576 -1.746491 Rho 0.4617107E-01 |GRAD(Rho)| 0.7586269E-16 GRAD(Rho)x -0.1557863E-16 GRAD(Rho)y 0.1666537E-17 GRAD(Rho)z 0.7422719E-16 Laplacian 0.1857518E+00 (-1/4)Del**2(Rho)) -0.4643796E-01 Diamond 0.8385609E-01 Metallicity 0.2204431E+01 Ellipticity 0.1663853E-01 Gb(Abramov) 0.4802019E-01 Vb(Abramov) -0.4960242E-01 Hb(Abramov) -0.1582229E-02 Ex_ueg -0.1223334E-01 Ec_ueg -0.2204344E-02 Delta_ex -0.1495620E-01 Delta_ec 0.5483077E-02 Delta_et -0.5660832E-01 Pxc 0.5549650E+01 Qxc -0.2727701E+01 3,-1 123 3 +3 1.124462 -1.104625 -1.148096 Rho 0.5031640E-02 |GRAD(Rho)| 0.5031691E-14 GRAD(Rho)x 0.4106340E-14 GRAD(Rho)y -0.2777961E-14 GRAD(Rho)z -0.8595431E-15 Laplacian 0.1925221E-01 (-1/4)Del**2(Rho)) -0.4813054E-02 Diamond 0.1355066E-03 Metallicity 0.5288287E+00 Ellipticity -0.1501017E+00 Gb(Abramov) 0.3632916E-02 Vb(Abramov) -0.2452778E-02 Hb(Abramov) 0.1180138E-02 Ex_ueg -0.6367922E-03 Ec_ueg -0.1482746E-03 Delta_ex -0.6662202E-03 Delta_ec 0.8463538E-04 Delta_et -0.6712494E-03 Pxc 0.4294681E+01 Qxc -0.7871651E+01 3,+3 124 3 +1 0.579100 -0.539392 -1.704301 Rho 0.8073764E-02 |GRAD(Rho)| 0.7099237E-17 GRAD(Rho)x 0.1691409E-17 GRAD(Rho)y -0.6091115E-17 GRAD(Rho)z -0.3230577E-17 Laplacian 0.3059216E-01 (-1/4)Del**2(Rho)) -0.7648040E-02 Diamond 0.7551316E-03 Metallicity 0.7319191E+00 Ellipticity -0.1457931E+01 Gb(Abramov) 0.6031651E-02 Vb(Abramov) -0.4415262E-02 Hb(Abramov) 0.1616389E-02 Ex_ueg -0.1196244E-02 Ec_ueg -0.2814967E-03 Delta_ex -0.1377394E-02 Delta_ec 0.4339146E-03 Delta_et -0.2915085E-02 Pxc 0.4249584E+01 Qxc -0.3174343E+01 3,+1 125 3 +1 1.757167 -1.787843 -1.774212 Rho 0.1198985E-01 |GRAD(Rho)| 0.6524793E-15 GRAD(Rho)x -0.1726524E-15 GRAD(Rho)y -0.5105742E-15 GRAD(Rho)z 0.3677423E-15 Laplacian 0.5864721E-01 (-1/4)Del**2(Rho)) -0.1466180E-01 Diamond 0.2289068E-02 Metallicity 0.7379989E+00 Ellipticity -0.1255054E+01 Gb(Abramov) 0.1157793E-01 Vb(Abramov) -0.8494065E-02 Hb(Abramov) 0.3083869E-02 Ex_ueg -0.2026766E-02 Ec_ueg -0.4591007E-03 Delta_ex -0.2865285E-02 Delta_ec 0.7311726E-03 Delta_et -0.5504558E-02 Pxc 0.4414644E+01 Qxc -0.3918753E+01 3,+1 126 3 -1 -0.460073 -0.465383 -0.487589 Rho 0.1829753E+00 |GRAD(Rho)| 0.1191726E-12 GRAD(Rho)x 0.6799422E-13 GRAD(Rho)y 0.6953813E-13 GRAD(Rho)z 0.6887199E-13 Laplacian 0.4885516E+00 (-1/4)Del**2(Rho)) -0.1221379E+00 Diamond 0.1281988E+01 Metallicity 0.8318087E+01 Ellipticity 0.3225840E-02 Gb(Abramov) 0.2507509E+00 Vb(Abramov) -0.3793639E+00 Hb(Abramov) -0.1286130E+00 Ex_ueg -0.7671996E-01 Ec_ueg -0.1058687E-01 Delta_ex -0.5531909E-01 Delta_ec 0.1212249E-01 Delta_et -0.1663459E+00 Pxc 0.7246709E+01 Qxc -0.4563346E+01 3,-1 127 3 +1 0.079119 -0.072272 2.990863 Rho 0.4772757E-02 |GRAD(Rho)| 0.3442809E-13 GRAD(Rho)x 0.3371860E-13 GRAD(Rho)y 0.4877966E-14 GRAD(Rho)z -0.4955302E-14 Laplacian 0.1820622E-01 (-1/4)Del**2(Rho)) -0.4551555E-02 Diamond 0.4085323E-03 Metallicity 0.5120853E+00 Ellipticity -0.6810845E+01 Gb(Abramov) 0.3422834E-02 Vb(Abramov) -0.2294113E-02 Hb(Abramov) 0.1128721E-02 Ex_ueg -0.5934865E-03 Ec_ueg -0.1371468E-03 Delta_ex -0.9067130E-03 Delta_ec 0.5903969E-03 Delta_et -0.3154907E-02 Pxc 0.4327383E+01 Qxc -0.1535768E+01 3,+1 128 3 +3 0.011601 0.021348 -2.404904 Rho 0.4064195E-02 |GRAD(Rho)| 0.2271653E-15 GRAD(Rho)x 0.1045868E-15 GRAD(Rho)y 0.1074469E-15 GRAD(Rho)z 0.1706483E-15 Laplacian 0.1593016E-01 (-1/4)Del**2(Rho)) -0.3982541E-02 Diamond 0.1167629E-03 Metallicity 0.4477309E+00 Ellipticity -0.2417103E+00 Gb(Abramov) 0.2952212E-02 Vb(Abramov) -0.1921883E-02 Hb(Abramov) 0.1030329E-02 Ex_ueg -0.4790172E-03 Ec_ueg -0.1068663E-03 Delta_ex -0.5601641E-03 Delta_ec 0.1422089E-03 Delta_et -0.8734977E-03 Pxc 0.4482398E+01 Qxc -0.3939022E+01 3,+3 129 3 -1 -0.528199 1.770182 1.734303 Rho 0.3819573E-01 |GRAD(Rho)| 0.6330939E-16 GRAD(Rho)x 0.2917711E-16 GRAD(Rho)y -0.4697645E-17 GRAD(Rho)z 0.5598845E-16 Laplacian 0.1617257E+00 (-1/4)Del**2(Rho)) -0.4043143E-01 Diamond 0.6106861E-01 Metallicity 0.1845832E+01 Ellipticity 0.1589687E-01 Gb(Abramov) 0.3939255E-01 Vb(Abramov) -0.3835368E-01 Hb(Abramov) 0.1038875E-02 Ex_ueg -0.9500317E-02 Ec_ueg -0.1773604E-02 Delta_ex -0.1270811E-01 Delta_ec 0.5292857E-02 Delta_et -0.5198883E-01 Pxc 0.5356504E+01 Qxc -0.2400992E+01 3,-1 130 3 -1 -0.470680 0.487305 0.447274 Rho 0.1783881E+00 |GRAD(Rho)| 0.9226968E-15 GRAD(Rho)x 0.2810252E-15 GRAD(Rho)y -0.7702172E-15 GRAD(Rho)z -0.4232725E-15 Laplacian 0.4682049E+00 (-1/4)Del**2(Rho)) -0.1170512E+00 Diamond 0.1194260E+01 Metallicity 0.8319944E+01 Ellipticity 0.9024295E-02 Gb(Abramov) 0.2403441E+00 Vb(Abramov) -0.3636369E+00 Hb(Abramov) -0.1232929E+00 Ex_ueg -0.7416624E-01 Ec_ueg -0.1028490E-01 Delta_ex -0.5269942E-01 Delta_ec 0.1173071E-01 Delta_et -0.1606123E+00 Pxc 0.7211176E+01 Qxc -0.4492433E+01 3,-1 131 3 -1 -0.072718 -3.267341 3.243065 Rho 0.2077317E+00 |GRAD(Rho)| 0.1731931E-14 GRAD(Rho)x -0.1201459E-14 GRAD(Rho)y 0.1108488E-14 GRAD(Rho)z 0.5721335E-15 Laplacian 0.7829364E+00 (-1/4)Del**2(Rho)) -0.1957341E+00 Diamond 0.2327534E+01 Metallicity 0.6412954E+01 Ellipticity 0.3024130E-02 Gb(Abramov) 0.3396950E+00 Vb(Abramov) -0.4836559E+00 Hb(Abramov) -0.1439609E+00 Ex_ueg -0.9086337E-01 Ec_ueg -0.1223709E-01 Delta_ex -0.9112247E-01 Delta_ec 0.1802791E-01 Delta_et -0.2478295E+00 Pxc 0.7425242E+01 Qxc -0.5054523E+01 3,-1 132 3 -1 0.073444 -3.255130 -3.189005 Rho 0.2315913E+00 |GRAD(Rho)| 0.7116881E-15 GRAD(Rho)x -0.6967354E-16 GRAD(Rho)y 0.2780979E-15 GRAD(Rho)z 0.6513887E-15 Laplacian 0.8516125E+00 (-1/4)Del**2(Rho)) -0.2129031E+00 Diamond 0.2884289E+01 Metallicity 0.7067105E+01 Ellipticity 0.1914556E-02 Gb(Abramov) 0.3927036E+00 Vb(Abramov) -0.5725040E+00 Hb(Abramov) -0.1798004E+00 Ex_ueg -0.1050384E+00 Ec_ueg -0.1385978E-01 Delta_ex -0.1019340E+00 Delta_ec 0.1900035E-01 Delta_et -0.2627787E+00 Pxc 0.7578647E+01 Qxc -0.5364848E+01 3,-1 133 3 -1 0.537452 -1.733925 1.755612 Rho 0.4214299E-01 |GRAD(Rho)| 0.3762230E-16 GRAD(Rho)x -0.2152798E-16 GRAD(Rho)y -0.9246635E-17 GRAD(Rho)z -0.2943609E-16 Laplacian 0.1814203E+00 (-1/4)Del**2(Rho)) -0.4535507E-01 Diamond 0.7850321E-01 Metallicity 0.1938517E+01 Ellipticity 0.1860750E-01 Gb(Abramov) 0.4489031E-01 Vb(Abramov) -0.4442555E-01 Hb(Abramov) 0.4647633E-03 Ex_ueg -0.1083142E-01 Ec_ueg -0.1985407E-02 Delta_ex -0.1461146E-01 Delta_ec 0.5954332E-02 Delta_et -0.6009318E-01 Pxc 0.5455517E+01 Qxc -0.2453921E+01 3,-1 134 3 +1 2.955273 -0.164533 0.149701 Rho 0.5145283E-02 |GRAD(Rho)| 0.6563245E-14 GRAD(Rho)x 0.4577734E-15 GRAD(Rho)y -0.4896269E-14 GRAD(Rho)z 0.4346628E-14 Laplacian 0.2042401E-01 (-1/4)Del**2(Rho)) -0.5106002E-02 Diamond 0.4795767E-03 Metallicity 0.5173934E+00 Ellipticity -0.3241253E+01 Gb(Abramov) 0.3844304E-02 Vb(Abramov) -0.2582605E-02 Hb(Abramov) 0.1261699E-02 Ex_ueg -0.6560406E-03 Ec_ueg -0.1531703E-03 Delta_ex -0.1007327E-02 Delta_ec 0.6185448E-03 Delta_et -0.3398138E-02 Pxc 0.4283081E+01 Qxc -0.1628543E+01 3,+1 135 3 -1 0.551789 -2.789940 -1.800125 Rho 0.1411573E+00 |GRAD(Rho)| 0.3160088E-12 GRAD(Rho)x 0.1993507E-12 GRAD(Rho)y -0.7050275E-13 GRAD(Rho)z 0.2348408E-12 Laplacian 0.5891238E+00 (-1/4)Del**2(Rho)) -0.1472809E+00 Diamond 0.1102413E+01 Metallicity 0.4476226E+01 Ellipticity 0.1223968E-01 Gb(Abramov) 0.2080644E+00 Vb(Abramov) -0.2688479E+00 Hb(Abramov) -0.6078349E-01 Ex_ueg -0.5428203E-01 Ec_ueg -0.7879877E-02 Delta_ex -0.6225206E-01 Delta_ec 0.1502970E-01 Delta_et -0.1980271E+00 Pxc 0.6888689E+01 Qxc -0.4141937E+01 3,-1 136 3 -1 0.572207 -1.849671 -2.818377 Rho 0.1588394E+00 |GRAD(Rho)| 0.1788011E-11 GRAD(Rho)x 0.1187221E-11 GRAD(Rho)y 0.1261981E-11 GRAD(Rho)z -0.4414663E-12 Laplacian 0.6524867E+00 (-1/4)Del**2(Rho)) -0.1631217E+00 Diamond 0.1404517E+01 Metallicity 0.4920075E+01 Ellipticity 0.1166157E-01 Gb(Abramov) 0.2425096E+00 Vb(Abramov) -0.3218975E+00 Hb(Abramov) -0.7938791E-01 Ex_ueg -0.6353249E-01 Ec_ueg -0.9011740E-02 Delta_ex -0.7095831E-01 Delta_ec 0.1612359E-01 Delta_et -0.2158010E+00 Pxc 0.7049969E+01 Qxc -0.4400900E+01 3,-1 137 3 -1 1.757140 1.753211 -0.543063 Rho 0.4307361E-01 |GRAD(Rho)| 0.9429786E-16 GRAD(Rho)x -0.8270049E-16 GRAD(Rho)y -0.2762259E-16 GRAD(Rho)z -0.3591250E-16 Laplacian 0.1733794E+00 (-1/4)Del**2(Rho)) -0.4334486E-01 Diamond 0.7084650E-01 Metallicity 0.2103622E+01 Ellipticity 0.2125979E-01 Gb(Abramov) 0.4409344E-01 Vb(Abramov) -0.4484202E-01 Hb(Abramov) -0.7485790E-03 Ex_ueg -0.1115150E-01 Ec_ueg -0.2035746E-02 Delta_ex -0.1370000E-01 Delta_ec 0.5085505E-02 Delta_et -0.5154066E-01 Pxc 0.5477845E+01 Qxc -0.2693931E+01 3,-1 138 3 +1 1.088340 -2.195363 1.383071 Rho 0.2532565E-01 |GRAD(Rho)| 0.4530146E-16 GRAD(Rho)x -0.7105845E-17 GRAD(Rho)y 0.4351570E-16 GRAD(Rho)z -0.1039773E-16 Laplacian 0.9681293E-01 (-1/4)Del**2(Rho)) -0.2420323E-01 Diamond 0.1238018E-01 Metallicity 0.1554584E+01 Ellipticity -0.3321434E+01 Gb(Abramov) 0.2240648E-01 Vb(Abramov) -0.2060973E-01 Hb(Abramov) 0.1796753E-02 Ex_ueg -0.5492868E-02 Ec_ueg -0.1105124E-02 Delta_ex -0.5987710E-02 Delta_ec 0.1545738E-02 Delta_et -0.1370936E-01 Pxc 0.4970363E+01 Qxc -0.3873691E+01 3,+1 139 3 -1 1.757327 0.545438 -1.758708 Rho 0.4219291E-01 |GRAD(Rho)| 0.1178802E-15 GRAD(Rho)x 0.7124860E-16 GRAD(Rho)y 0.2046177E-16 GRAD(Rho)z -0.9165532E-16 Laplacian 0.1809132E+00 (-1/4)Del**2(Rho)) -0.4522830E-01 Diamond 0.7825185E-01 Metallicity 0.1947790E+01 Ellipticity 0.1705419E-01 Gb(Abramov) 0.4483473E-01 Vb(Abramov) -0.4444117E-01 Hb(Abramov) 0.3935622E-03 Ex_ueg -0.1084853E-01 Ec_ueg -0.1988104E-02 Delta_ex -0.1456629E-01 Delta_ec 0.5922411E-02 Delta_et -0.5978830E-01 Pxc 0.5456724E+01 Qxc -0.2459520E+01 3,-1 140 3 -1 0.487451 0.481507 -0.488643 Rho 0.1852432E+00 |GRAD(Rho)| 0.1846817E-13 GRAD(Rho)x -0.9988538E-14 GRAD(Rho)y -0.1071018E-13 GRAD(Rho)z 0.1125142E-13 Laplacian 0.4995491E+00 (-1/4)Del**2(Rho)) -0.1248873E+00 Diamond 0.1325908E+01 Metallicity 0.8303708E+01 Ellipticity 0.4721967E-02 Gb(Abramov) 0.2560961E+00 Vb(Abramov) -0.3873050E+00 Hb(Abramov) -0.1312088E+00 Ex_ueg -0.7799045E-01 Ec_ueg -0.1073660E-01 Delta_ex -0.5670590E-01 Delta_ec 0.1229541E-01 Delta_et -0.1687649E+00 Pxc 0.7263977E+01 Qxc -0.4611959E+01 3,-1 141 3 -1 0.873308 -3.046121 1.995857 Rho 0.1171880E+00 |GRAD(Rho)| 0.8486918E-15 GRAD(Rho)x 0.4960632E-15 GRAD(Rho)y -0.3602397E-15 GRAD(Rho)z -0.5868786E-15 Laplacian 0.4785033E+00 (-1/4)Del**2(Rho)) -0.1196258E+00 Diamond 0.7424867E+00 Metallicity 0.4041415E+01 Ellipticity 0.1378612E-01 Gb(Abramov) 0.1603268E+00 Vb(Abramov) -0.2010278E+00 Hb(Abramov) -0.4070099E-01 Ex_ueg -0.4235414E-01 Ec_ueg -0.6377521E-02 Delta_ex -0.4871027E-01 Delta_ec 0.1341849E-01 Delta_et -0.1726025E+00 Pxc 0.6641161E+01 Qxc -0.3630085E+01 3,-1 142 3 -1 0.880591 -2.031275 3.065299 Rho 0.1302765E+00 |GRAD(Rho)| 0.6092254E-15 GRAD(Rho)x -0.5478745E-15 GRAD(Rho)y -0.1418679E-15 GRAD(Rho)z -0.2255276E-15 Laplacian 0.5276777E+00 (-1/4)Del**2(Rho)) -0.1319194E+00 Diamond 0.9197396E+00 Metallicity 0.4372076E+01 Ellipticity 0.1514476E-01 Gb(Abramov) 0.1840733E+00 Vb(Abramov) -0.2362271E+00 Hb(Abramov) -0.5215382E-01 Ex_ueg -0.4877602E-01 Ec_ueg -0.7193149E-02 Delta_ex -0.5495968E-01 Delta_ec 0.1422085E-01 Delta_et -0.1860080E+00 Pxc 0.6780899E+01 Qxc -0.3864725E+01 3,-1 143 3 +1 1.155414 1.347660 -2.233789 Rho 0.2466421E-01 |GRAD(Rho)| 0.3259189E-15 GRAD(Rho)x -0.1426542E-15 GRAD(Rho)y 0.2456463E-15 GRAD(Rho)z -0.1597835E-15 Laplacian 0.9160125E-01 (-1/4)Del**2(Rho)) -0.2290031E-01 Diamond 0.1210032E-01 Metallicity 0.1572137E+01 Ellipticity -0.6154564E+01 Gb(Abramov) 0.2126728E-01 Vb(Abramov) -0.1963425E-01 Hb(Abramov) 0.1633033E-02 Ex_ueg -0.5302426E-02 Ec_ueg -0.1071822E-02 Delta_ex -0.5714261E-02 Delta_ec 0.1621697E-02 Delta_et -0.1425146E-01 Pxc 0.4947112E+01 Qxc -0.3523630E+01 3,+1 144 3 +1 1.683994 0.545396 0.540440 Rho 0.8457165E-02 |GRAD(Rho)| 0.1583547E-13 GRAD(Rho)x -0.4412537E-14 GRAD(Rho)y -0.1518969E-13 GRAD(Rho)z -0.7516106E-15 Laplacian 0.3223754E-01 (-1/4)Del**2(Rho)) -0.8059386E-02 Diamond 0.8531084E-03 Metallicity 0.7503996E+00 Ellipticity -0.1479253E+01 Gb(Abramov) 0.6380884E-02 Vb(Abramov) -0.4702382E-02 Hb(Abramov) 0.1678502E-02 Ex_ueg -0.1272579E-02 Ec_ueg -0.2985938E-03 Delta_ex -0.1471052E-02 Delta_ec 0.4617435E-03 Delta_et -0.3135806E-02 Pxc 0.4261907E+01 Qxc -0.3185864E+01 3,+1 145 3 +1 1.786911 1.793669 1.795273 Rho 0.1141607E-01 |GRAD(Rho)| 0.1958360E-16 GRAD(Rho)x 0.1215495E-16 GRAD(Rho)y 0.4649886E-17 GRAD(Rho)z -0.1463397E-16 Laplacian 0.5349439E-01 (-1/4)Del**2(Rho)) -0.1337360E-01 Diamond 0.1899969E-02 Metallicity 0.7455884E+00 Ellipticity -0.1244677E+01 Gb(Abramov) 0.1057760E-01 Vb(Abramov) -0.7781599E-02 Hb(Abramov) 0.2795999E-02 Ex_ueg -0.1898485E-02 Ec_ueg -0.4326802E-03 Delta_ex -0.2563715E-02 Delta_ec 0.6381818E-03 Delta_et -0.4771415E-02 Pxc 0.4387732E+01 Qxc -0.4017218E+01 3,+1 146 3 -1 0.900111 2.017373 -3.104423 Rho 0.1247176E+00 |GRAD(Rho)| 0.1389612E-15 GRAD(Rho)x 0.9057154E-16 GRAD(Rho)y -0.3201107E-16 GRAD(Rho)z 0.1004107E-15 Laplacian 0.5054842E+00 (-1/4)Del**2(Rho)) -0.1263711E+00 Diamond 0.8399143E+00 Metallicity 0.4244098E+01 Ellipticity 0.3897754E-02 Gb(Abramov) 0.1736359E+00 Vb(Abramov) -0.2209007E+00 Hb(Abramov) -0.4726484E-01 Ex_ueg -0.4602095E-01 Ec_ueg -0.6845314E-02 Delta_ex -0.5215112E-01 Delta_ec 0.1385032E-01 Delta_et -0.1799680E+00 Pxc 0.6722986E+01 Qxc -0.3765337E+01 3,-1 147 3 -1 2.051666 0.872501 -3.081019 Rho 0.1316792E+00 |GRAD(Rho)| 0.1830828E-15 GRAD(Rho)x 0.7608389E-16 GRAD(Rho)y 0.1523846E-15 GRAD(Rho)z 0.6715277E-16 Laplacian 0.5336071E+00 (-1/4)Del**2(Rho)) -0.1334018E+00 Diamond 0.9422155E+00 Metallicity 0.4401362E+01 Ellipticity 0.1517809E-01 Gb(Abramov) 0.1867928E+00 Vb(Abramov) -0.2401838E+00 Hb(Abramov) -0.5339100E-01 Ex_ueg -0.4947755E-01 Ec_ueg -0.7281251E-02 Delta_ex -0.5572138E-01 Delta_ec 0.1434626E-01 Delta_et -0.1879872E+00 Pxc 0.6795198E+01 Qxc -0.3884035E+01 3,-1 148 3 -1 0.905429 3.029529 -2.037538 Rho 0.1080853E+00 |GRAD(Rho)| 0.3601390E-14 GRAD(Rho)x -0.2466045E-14 GRAD(Rho)y -0.1242923E-14 GRAD(Rho)z -0.2311661E-14 Laplacian 0.4432743E+00 (-1/4)Del**2(Rho)) -0.1108186E+00 Diamond 0.6241601E+00 Metallicity 0.3812575E+01 Ellipticity 0.8288000E-02 Gb(Abramov) 0.1442964E+00 Vb(Abramov) -0.1777742E+00 Hb(Abramov) -0.3347783E-01 Ex_ueg -0.3802541E-01 Ec_ueg -0.5817381E-02 Delta_ex -0.4427962E-01 Delta_ec 0.1266224E-01 Delta_et -0.1603924E+00 Pxc 0.6536517E+01 Qxc -0.3496981E+01 3,-1 149 3 +1 1.329921 -1.153877 2.219671 Rho 0.2520319E-01 |GRAD(Rho)| 0.6310145E-16 GRAD(Rho)x 0.2062755E-16 GRAD(Rho)y -0.4270906E-17 GRAD(Rho)z 0.5948157E-16 Laplacian 0.9453639E-01 (-1/4)Del**2(Rho)) -0.2363410E-01 Diamond 0.1324484E-01 Metallicity 0.1579211E+01 Ellipticity -0.9456349E+01 Gb(Abramov) 0.2197660E-01 Vb(Abramov) -0.2031911E-01 Hb(Abramov) 0.1657496E-02 Ex_ueg -0.5457484E-02 Ec_ueg -0.1098950E-02 Delta_ex -0.5972098E-02 Delta_ec 0.1746538E-02 Delta_et -0.1541536E-01 Pxc 0.4966089E+01 Qxc -0.3419391E+01 3,+1 150 3 +3 2.344582 -0.004728 -0.011705 Rho 0.4415181E-02 |GRAD(Rho)| 0.5785026E-17 GRAD(Rho)x -0.4566308E-17 GRAD(Rho)y 0.2683182E-17 GRAD(Rho)z 0.2327206E-17 Laplacian 0.1780593E-01 (-1/4)Del**2(Rho)) -0.4451483E-02 Diamond 0.1483405E-03 Metallicity 0.4598639E+00 Ellipticity -0.2985227E+00 Gb(Abramov) 0.3308835E-02 Vb(Abramov) -0.2166187E-02 Hb(Abramov) 0.1142648E-02 Ex_ueg -0.5349540E-03 Ec_ueg -0.1218331E-03 Delta_ex -0.6420166E-03 Delta_ec 0.1634747E-03 Delta_et -0.1017704E-02 Pxc 0.4390875E+01 Qxc -0.3927315E+01 3,+3 151 3 -1 1.746682 -1.736421 0.549269 Rho 0.4277688E-01 |GRAD(Rho)| 0.5936962E-16 GRAD(Rho)x 0.3996407E-16 GRAD(Rho)y 0.4320164E-16 GRAD(Rho)z 0.7825737E-17 Laplacian 0.1715530E+00 (-1/4)Del**2(Rho)) -0.4288826E-01 Diamond 0.6935023E-01 Metallicity 0.2101664E+01 Ellipticity 0.1443982E-01 Gb(Abramov) 0.4361496E-01 Vb(Abramov) -0.4434166E-01 Hb(Abramov) -0.7267000E-03 Ex_ueg -0.1104919E-01 Ec_ueg -0.2019680E-02 Delta_ex -0.1352730E-01 Delta_ec 0.5023265E-02 Delta_et -0.5081490E-01 Pxc 0.5470765E+01 Qxc -0.2692929E+01 3,-1 152 3 -1 1.854890 2.833518 0.563628 Rho 0.1446073E+00 |GRAD(Rho)| 0.5636317E-16 GRAD(Rho)x -0.1490778E-17 GRAD(Rho)y 0.5475899E-16 GRAD(Rho)z 0.1326792E-16 Laplacian 0.5945185E+00 (-1/4)Del**2(Rho)) -0.1486296E+00 Diamond 0.1145738E+01 Metallicity 0.4617762E+01 Ellipticity 0.1266736E-01 Gb(Abramov) 0.2134758E+00 Vb(Abramov) -0.2783219E+00 Hb(Abramov) -0.6484616E-01 Ex_ueg -0.5605814E-01 Ec_ueg -0.8099203E-02 Delta_ex -0.6319953E-01 Delta_ec 0.1508660E-01 Delta_et -0.1994946E+00 Pxc 0.6921440E+01 Qxc -0.4189116E+01 3,-1 153 3 -1 1.737173 -0.517837 1.765866 Rho 0.4180324E-01 |GRAD(Rho)| 0.2547496E-15 GRAD(Rho)x 0.2082308E-15 GRAD(Rho)y -0.2538791E-16 GRAD(Rho)z 0.1445432E-15 Laplacian 0.1795784E+00 (-1/4)Del**2(Rho)) -0.4489461E-01 Diamond 0.7699487E-01 Metallicity 0.1932156E+01 Ellipticity 0.1848000E-01 Gb(Abramov) 0.4438697E-01 Vb(Abramov) -0.4387933E-01 Hb(Abramov) 0.5076384E-03 Ex_ueg -0.1071515E-01 Ec_ueg -0.1967067E-02 Delta_ex -0.1444220E-01 Delta_ec 0.5907656E-02 Delta_et -0.5949183E-01 Pxc 0.5447274E+01 Qxc -0.2444659E+01 3,-1 154 3 -1 1.839581 0.594615 2.870190 Rho 0.1331034E+00 |GRAD(Rho)| 0.1891332E-13 GRAD(Rho)x 0.1724901E-13 GRAD(Rho)y -0.5164651E-14 GRAD(Rho)z 0.5788935E-14 Laplacian 0.5599568E+00 (-1/4)Del**2(Rho)) -0.1399892E+00 Diamond 0.1008086E+01 Metallicity 0.4270126E+01 Ellipticity 0.1728035E-01 Gb(Abramov) 0.1929547E+00 Vb(Abramov) -0.2459203E+00 Hb(Abramov) -0.5296552E-01 Ex_ueg -0.5019233E-01 Ec_ueg -0.7370830E-02 Delta_ex -0.5869998E-01 Delta_ec 0.1515149E-01 Delta_et -0.1991457E+00 Pxc 0.6809590E+01 Qxc -0.3874206E+01 3,-1 155 3 -1 2.023729 -0.873786 3.073729 Rho 0.1246532E+00 |GRAD(Rho)| 0.3018768E-09 GRAD(Rho)x 0.1569072E-09 GRAD(Rho)y 0.2217784E-09 GRAD(Rho)z -0.1316209E-09 Laplacian 0.5031762E+00 (-1/4)Del**2(Rho)) -0.1257940E+00 Diamond 0.8351229E+00 Metallicity 0.4259896E+01 Ellipticity 0.4345946E-02 Gb(Abramov) 0.1731743E+00 Vb(Abramov) -0.2205545E+00 Hb(Abramov) -0.4738024E-01 Ex_ueg -0.4598926E-01 Ec_ueg -0.6841296E-02 Delta_ex -0.5190104E-01 Delta_ec 0.1377878E-01 Delta_et -0.1790054E+00 Pxc 0.6722303E+01 Qxc -0.3766736E+01 3,-1 156 3 -1 1.838303 -0.592282 -2.832106 Rho 0.1061905E+00 |GRAD(Rho)| 0.4823662E-14 GRAD(Rho)x -0.3644518E-14 GRAD(Rho)y -0.2905974E-14 GRAD(Rho)z -0.1241174E-14 Laplacian 0.4588102E+00 (-1/4)Del**2(Rho)) -0.1147025E+00 Diamond 0.6357690E+00 Metallicity 0.3576485E+01 Ellipticity 0.1705668E-01 Gb(Abramov) 0.1448404E+00 Vb(Abramov) -0.1749782E+00 Hb(Abramov) -0.3013781E-01 Ex_ueg -0.3713922E-01 Ec_ueg -0.5701554E-02 Delta_ex -0.4569631E-01 Delta_ec 0.1325197E-01 Delta_et -0.1674024E+00 Pxc 0.6513876E+01 Qxc -0.3448266E+01 3,-1 157 3 -1 1.804772 -2.795481 -0.543385 Rho 0.1277240E+00 |GRAD(Rho)| 0.1371444E-15 GRAD(Rho)x -0.1229350E-15 GRAD(Rho)y -0.3384744E-16 GRAD(Rho)z -0.5049672E-16 Laplacian 0.5281333E+00 (-1/4)Del**2(Rho)) -0.1320333E+00 Diamond 0.8812371E+00 Metallicity 0.4226593E+01 Ellipticity 0.1223156E-01 Gb(Abramov) 0.1810307E+00 Vb(Abramov) -0.2300281E+00 Hb(Abramov) -0.4899741E-01 Ex_ueg -0.4750599E-01 Ec_ueg -0.7033174E-02 Delta_ex -0.5452907E-01 Delta_ec 0.1391032E-01 Delta_et -0.1806514E+00 Pxc 0.6754559E+01 Qxc -0.3920044E+01 3,-1 158 3 -1 2.017532 -3.042089 0.844235 Rho 0.1455583E+00 |GRAD(Rho)| 0.3927281E-09 GRAD(Rho)x 0.2160246E-09 GRAD(Rho)y 0.1786534E-09 GRAD(Rho)z -0.2750485E-09 Laplacian 0.5716416E+00 (-1/4)Del**2(Rho)) -0.1429104E+00 Diamond 0.1112056E+01 Metallicity 0.4855318E+01 Ellipticity 0.2645612E-01 Gb(Abramov) 0.2109195E+00 Vb(Abramov) -0.2789286E+00 Hb(Abramov) -0.6800910E-01 Ex_ueg -0.5655023E-01 Ec_ueg -0.8159791E-02 Delta_ex -0.6088297E-01 Delta_ec 0.1451403E-01 Delta_et -0.1921728E+00 Pxc 0.6930353E+01 Qxc -0.4194768E+01 3,-1 159 3 -1 2.801141 -1.849168 -0.553100 Rho 0.1555081E+00 |GRAD(Rho)| 0.6525006E-09 GRAD(Rho)x -0.1395532E-09 GRAD(Rho)y -0.4660065E-09 GRAD(Rho)z 0.4348791E-09 Laplacian 0.6433958E+00 (-1/4)Del**2(Rho)) -0.1608490E+00 Diamond 0.1353476E+01 Metallicity 0.4816409E+01 Ellipticity 0.1184044E-01 Gb(Abramov) 0.2363517E+00 Vb(Abramov) -0.3118544E+00 Hb(Abramov) -0.7550274E-01 Ex_ueg -0.6176216E-01 Ec_ueg -0.8797040E-02 Delta_ex -0.6963465E-01 Delta_ec 0.1604112E-01 Delta_et -0.2142558E+00 Pxc 0.7020789E+01 Qxc -0.4341010E+01 3,-1 160 3 -1 2.819431 1.836065 0.551299 Rho 0.1503368E+00 |GRAD(Rho)| 0.5978481E-15 GRAD(Rho)x -0.8612631E-16 GRAD(Rho)y 0.5072982E-15 GRAD(Rho)z -0.3043898E-15 Laplacian 0.6184828E+00 (-1/4)Del**2(Rho)) -0.1546207E+00 Diamond 0.1247177E+01 Metallicity 0.4735810E+01 Ellipticity 0.1157238E-01 Gb(Abramov) 0.2251228E+00 Vb(Abramov) -0.2956250E+00 Hb(Abramov) -0.7050215E-01 Ex_ueg -0.5903896E-01 Ec_ueg -0.8465076E-02 Delta_ex -0.6636092E-01 Delta_ec 0.1551409E-01 Delta_et -0.2061952E+00 Pxc 0.6974416E+01 Qxc -0.4277462E+01 3,-1 161 3 +1 2.962218 0.118684 -0.149071 Rho 0.5154067E-02 |GRAD(Rho)| 0.7623914E-17 GRAD(Rho)x 0.1382049E-17 GRAD(Rho)y -0.4789494E-17 GRAD(Rho)z -0.5768427E-17 Laplacian 0.2037882E-01 (-1/4)Del**2(Rho)) -0.5094704E-02 Diamond 0.4873989E-03 Metallicity 0.5200170E+00 Ellipticity -0.3723554E+01 Gb(Abramov) 0.3838025E-02 Vb(Abramov) -0.2581346E-02 Hb(Abramov) 0.1256679E-02 Ex_ueg -0.6575343E-03 Ec_ueg -0.1535489E-03 Delta_ex -0.1012376E-02 Delta_ec 0.6295698E-03 Delta_et -0.3455279E-02 Pxc 0.4282246E+01 Qxc -0.1608044E+01 3,+1 162 3 -1 2.051356 3.030123 -0.852519 Rho 0.1502248E+00 |GRAD(Rho)| 0.1734519E-12 GRAD(Rho)x 0.1015740E-12 GRAD(Rho)y -0.6053501E-13 GRAD(Rho)z 0.1269008E-12 Laplacian 0.5869150E+00 (-1/4)Del**2(Rho)) -0.1467287E+00 Diamond 0.1186174E+01 Metallicity 0.4984337E+01 Ellipticity 0.3069059E-01 Gb(Abramov) 0.2197101E+00 Vb(Abramov) -0.2926914E+00 Hb(Abramov) -0.7298133E-01 Ex_ueg -0.5898034E-01 Ec_ueg -0.8457906E-02 Delta_ex -0.6299915E-01 Delta_ec 0.1479088E-01 Delta_et -0.1967172E+00 Pxc 0.6973397E+01 Qxc -0.4259325E+01 3,-1 163 3 -1 3.033213 -0.885361 2.011843 Rho 0.1006646E+00 |GRAD(Rho)| 0.1937013E-15 GRAD(Rho)x -0.9938068E-16 GRAD(Rho)y -0.7535205E-17 GRAD(Rho)z 0.1660930E-15 Laplacian 0.4180098E+00 (-1/4)Del**2(Rho)) -0.1045024E+00 Diamond 0.5406718E+00 Metallicity 0.3591046E+01 Ellipticity 0.6944018E-02 Gb(Abramov) 0.1322138E+00 Vb(Abramov) -0.1599252E+00 Hb(Abramov) -0.2771137E-01 Ex_ueg -0.3458495E-01 Ec_ueg -0.5365326E-02 Delta_ex -0.4108073E-01 Delta_ec 0.1214202E-01 Delta_et -0.1516481E+00 Pxc 0.6446011E+01 Qxc -0.3383353E+01 3,-1 164 3 -1 2.812536 -0.586657 -1.825144 Rho 0.1110952E+00 |GRAD(Rho)| 0.1828144E-09 GRAD(Rho)x 0.3524996E-10 GRAD(Rho)y -0.1221714E-09 GRAD(Rho)z 0.1313495E-09 Laplacian 0.4840008E+00 (-1/4)Del**2(Rho)) -0.1210002E+00 Diamond 0.7073442E+00 Metallicity 0.3655322E+01 Ellipticity 0.1407462E-01 Gb(Abramov) 0.1543826E+00 Vb(Abramov) -0.1877650E+00 Hb(Abramov) -0.3338238E-01 Ex_ueg -0.3944378E-01 Ec_ueg -0.6001924E-02 Delta_ex -0.4870212E-01 Delta_ec 0.1381867E-01 Delta_et -0.1760831E+00 Pxc 0.6571856E+01 Qxc -0.3524371E+01 3,-1 165 3 -1 2.958971 -0.010462 -0.013408 Rho 0.5168475E-02 |GRAD(Rho)| 0.6126267E-17 GRAD(Rho)x 0.6026480E-18 GRAD(Rho)y -0.3885116E-17 GRAD(Rho)z -0.4698280E-17 Laplacian 0.2013017E-01 (-1/4)Del**2(Rho)) -0.5032542E-02 Diamond 0.5474418E-03 Metallicity 0.5288954E+00 Ellipticity 0.4416876E+01 Gb(Abramov) 0.3798643E-02 Vb(Abramov) -0.2564744E-02 Hb(Abramov) 0.1233899E-02 Ex_ueg -0.6599863E-03 Ec_ueg -0.1541702E-03 Delta_ex -0.1057587E-02 Delta_ec 0.7236895E-03 Delta_et -0.3933367E-02 Pxc 0.4280896E+01 Qxc -0.1461383E+01 3,-1 166 3 -1 2.811442 0.583877 1.825022 Rho 0.1127567E+00 |GRAD(Rho)| 0.5181189E-14 GRAD(Rho)x -0.2627117E-14 GRAD(Rho)y 0.6365486E-15 GRAD(Rho)z -0.4420157E-14 Laplacian 0.4867544E+00 (-1/4)Del**2(Rho)) -0.1216886E+00 Diamond 0.7218215E+00 Metallicity 0.3725695E+01 Ellipticity 0.1573286E-01 Gb(Abramov) 0.1566882E+00 Vb(Abramov) -0.1916877E+00 Hb(Abramov) -0.3499957E-01 Ex_ueg -0.4023231E-01 Ec_ueg -0.6104086E-02 Delta_ex -0.4911479E-01 Delta_ec 0.1378938E-01 Delta_et -0.1761237E+00 Pxc 0.6591046E+01 Qxc -0.3561784E+01 3,-1 167 3 -1 3.063399 0.879373 -2.004126 Rho 0.1215220E+00 |GRAD(Rho)| 0.2324586E-15 GRAD(Rho)x 0.5580253E-16 GRAD(Rho)y -0.1716970E-15 GRAD(Rho)z -0.1464351E-15 Laplacian 0.4943649E+00 (-1/4)Del**2(Rho)) -0.1235912E+00 Diamond 0.7988658E+00 Metallicity 0.4155825E+01 Ellipticity 0.2474679E-01 Gb(Abramov) 0.1679981E+00 Vb(Abramov) -0.2124049E+00 Hb(Abramov) -0.4440684E-01 Ex_ueg -0.4445546E-01 Ec_ueg -0.6646301E-02 Delta_ex -0.5072553E-01 Delta_ec 0.1369016E-01 Delta_et -0.1771748E+00 Pxc 0.6688752E+01 Qxc -0.3705254E+01 3,-1 168 3 +1 2.202635 -1.055381 1.433969 Rho 0.2493623E-01 |GRAD(Rho)| 0.1013021E-13 GRAD(Rho)x 0.9661129E-14 GRAD(Rho)y 0.3529549E-16 GRAD(Rho)z 0.3046712E-14 Laplacian 0.9482212E-01 (-1/4)Del**2(Rho)) -0.2370553E-01 Diamond 0.1106133E-01 Metallicity 0.1546755E+01 Ellipticity -0.2569442E+01 Gb(Abramov) 0.2191480E-01 Vb(Abramov) -0.2012406E-01 Hb(Abramov) 0.1790734E-02 Ex_ueg -0.5380544E-02 Ec_ueg -0.1085504E-02 Delta_ex -0.5752078E-02 Delta_ec 0.1356739E-02 Delta_et -0.1202769E-01 Pxc 0.4956724E+01 Qxc -0.4239634E+01 3,+1 169 3 -1 3.055709 2.021679 -0.844310 Rho 0.1398323E+00 |GRAD(Rho)| 0.2420514E-15 GRAD(Rho)x -0.3722879E-16 GRAD(Rho)y 0.1835419E-15 GRAD(Rho)z 0.1533468E-15 Laplacian 0.5425228E+00 (-1/4)Del**2(Rho)) -0.1356307E+00 Diamond 0.1008704E+01 Metallicity 0.4784915E+01 Ellipticity 0.2059794E-01 Gb(Abramov) 0.1985840E+00 Vb(Abramov) -0.2615374E+00 Hb(Abramov) -0.6295333E-01 Ex_ueg -0.5360372E-01 Ec_ueg -0.7795845E-02 Delta_ex -0.5724987E-01 Delta_ec 0.1396911E-01 Delta_et -0.1839989E+00 Pxc 0.6875935E+01 Qxc -0.4098318E+01 3,-1 170 3 -1 3.041484 -2.040397 0.851878 Rho 0.1605262E+00 |GRAD(Rho)| 0.1256829E-13 GRAD(Rho)x 0.7881879E-14 GRAD(Rho)y -0.7368102E-14 GRAD(Rho)z -0.6445853E-14 Laplacian 0.6193768E+00 (-1/4)Del**2(Rho)) -0.1548442E+00 Diamond 0.1360056E+01 Metallicity 0.5275148E+01 Ellipticity 0.3332244E-01 Gb(Abramov) 0.2393671E+00 Vb(Abramov) -0.3238901E+00 Hb(Abramov) -0.8452294E-01 Ex_ueg -0.6443367E-01 Ec_ueg -0.9120710E-02 Delta_ex -0.6762366E-01 Delta_ec 0.1542333E-01 Delta_et -0.2071103E+00 Pxc 0.7064545E+01 Qxc -0.4384504E+01 3,-1 171 3 -1 3.257421 3.235637 0.073873 Rho 0.2301992E+00 |GRAD(Rho)| 0.2079440E-13 GRAD(Rho)x -0.2032879E-15 GRAD(Rho)y 0.2074675E-13 GRAD(Rho)z 0.1392156E-14 Laplacian 0.8417667E+00 (-1/4)Del**2(Rho)) -0.2104417E+00 Diamond 0.2834399E+01 Metallicity 0.7078282E+01 Ellipticity 0.2479675E-02 Gb(Abramov) 0.3885554E+00 Vb(Abramov) -0.5666691E+00 Hb(Abramov) -0.1781137E+00 Ex_ueg -0.1041974E+00 Ec_ueg -0.1376425E-01 Delta_ex -0.1006205E+00 Delta_ec 0.1885451E-01 Delta_et -0.2608635E+00 Pxc 0.7570150E+01 Qxc -0.5336681E+01 3,-1 172 3 -1 3.293659 -0.071654 -3.240238 Rho 0.2082958E+00 |GRAD(Rho)| 0.1933234E-13 GRAD(Rho)x -0.1397027E-13 GRAD(Rho)y 0.4091996E-14 GRAD(Rho)z 0.1272111E-13 Laplacian 0.7849909E+00 (-1/4)Del**2(Rho)) -0.1962477E+00 Diamond 0.2341659E+01 Metallicity 0.6425142E+01 Ellipticity 0.3313839E-02 Gb(Abramov) 0.3409851E+00 Vb(Abramov) -0.4857224E+00 Hb(Abramov) -0.1447373E+00 Ex_ueg -0.9119249E-01 Ec_ueg -0.1227509E-01 Delta_ex -0.9142779E-01 Delta_ec 0.1806612E-01 Delta_et -0.2484187E+00 Pxc 0.7429068E+01 Qxc -0.5060731E+01 3,-1 173 3 -1 3.279063 0.065684 3.252031 Rho 0.2069538E+00 |GRAD(Rho)| 0.1565078E-14 GRAD(Rho)x 0.7669646E-15 GRAD(Rho)y -0.1034017E-14 GRAD(Rho)z -0.8899674E-15 Laplacian 0.7789688E+00 (-1/4)Del**2(Rho)) -0.1947422E+00 Diamond 0.2306603E+01 Metallicity 0.6405439E+01 Ellipticity 0.2212409E-02 Gb(Abramov) 0.3377297E+00 Vb(Abramov) -0.4807172E+00 Hb(Abramov) -0.1429875E+00 Ex_ueg -0.9040998E-01 Ec_ueg -0.1218472E-01 Delta_ex -0.9058176E-01 Delta_ec 0.1797017E-01 Delta_et -0.2470246E+00 Pxc 0.7419949E+01 Qxc -0.5040673E+01 3,-1 174 3 -1 -2.007911 -3.006120 -0.846933 Rho 0.1372328E+00 |GRAD(Rho)| 0.3348451E-15 GRAD(Rho)x 0.1327199E-15 GRAD(Rho)y 0.4149106E-16 GRAD(Rho)z -0.3046066E-15 Laplacian 0.5312739E+00 (-1/4)Del**2(Rho)) -0.1328185E+00 Diamond 0.9696643E+00 Metallicity 0.4735775E+01 Ellipticity 0.3552693E-01 Gb(Abramov) 0.1933787E+00 Vb(Abramov) -0.2539390E+00 Hb(Abramov) -0.6056025E-01 Ex_ueg -0.5227919E-01 Ec_ueg -0.7631306E-02 Delta_ex -0.5585109E-01 Delta_ec 0.1382002E-01 Delta_et -0.1816754E+00 Pxc 0.6850621E+01 Qxc -0.4041318E+01 3,-1 175 3 -1 -0.589367 -1.821126 2.817360 Rho 0.1146913E+00 |GRAD(Rho)| 0.4560658E-15 GRAD(Rho)x 0.2518873E-15 GRAD(Rho)y 0.2557497E-15 GRAD(Rho)z 0.2813200E-15 Laplacian 0.4946251E+00 (-1/4)Del**2(Rho)) -0.1236563E+00 Diamond 0.7514539E+00 Metallicity 0.3771852E+01 Ellipticity 0.1560779E-01 Gb(Abramov) 0.1601731E+00 Vb(Abramov) -0.1966898E+00 Hb(Abramov) -0.3651678E-01 Ex_ueg -0.4115531E-01 Ec_ueg -0.6223289E-02 Delta_ex -0.5014814E-01 Delta_ec 0.1402964E-01 Delta_et -0.1798744E+00 Pxc 0.6613112E+01 Qxc -0.3574443E+01 3,-1 176 3 -1 -0.021660 3.283898 -3.293087 Rho 0.2075019E+00 |GRAD(Rho)| 0.3309600E-15 GRAD(Rho)x -0.1038937E-15 GRAD(Rho)y 0.3139849E-15 GRAD(Rho)z -0.1241411E-16 Laplacian 0.7800126E+00 (-1/4)Del**2(Rho)) -0.1950031E+00 Diamond 0.2318959E+01 Metallicity 0.6425124E+01 Ellipticity 0.1661869E-02 Gb(Abramov) 0.3388220E+00 Vb(Abramov) -0.4826409E+00 Hb(Abramov) -0.1438189E+00 Ex_ueg -0.9072933E-01 Ec_ueg -0.1222161E-01 Delta_ex -0.9077706E-01 Delta_ec 0.1800306E-01 Delta_et -0.2476038E+00 Pxc 0.7423680E+01 Qxc -0.5042312E+01 3,-1 177 3 -1 0.066093 3.283117 3.268258 Rho 0.2093480E+00 |GRAD(Rho)| 0.5266506E-14 GRAD(Rho)x -0.8804535E-15 GRAD(Rho)y -0.3467170E-14 GRAD(Rho)z -0.3865181E-14 Laplacian 0.7828839E+00 (-1/4)Del**2(Rho)) -0.1957210E+00 Diamond 0.2354557E+01 Metallicity 0.6496765E+01 Ellipticity 0.4860653E-02 Gb(Abramov) 0.3424062E+00 Vb(Abramov) -0.4890914E+00 Hb(Abramov) -0.1466852E+00 Ex_ueg -0.9180721E-01 Ec_ueg -0.1234602E-01 Delta_ex -0.9133239E-01 Delta_ec 0.1804925E-01 Delta_et -0.2484837E+00 Pxc 0.7436178E+01 Qxc -0.5060177E+01 3,-1 178 3 -1 0.481614 -0.462817 0.472899 Rho 0.1845533E+00 |GRAD(Rho)| 0.9292226E-15 GRAD(Rho)x -0.7008283E-15 GRAD(Rho)y 0.2532696E-15 GRAD(Rho)z -0.5551115E-15 Laplacian 0.4951185E+00 (-1/4)Del**2(Rho)) -0.1237796E+00 Diamond 0.1308755E+01 Metallicity 0.8326077E+01 Ellipticity 0.2206133E-02 Gb(Abramov) 0.2542862E+00 Vb(Abramov) -0.3847927E+00 Hb(Abramov) -0.1305066E+00 Ex_ueg -0.7760342E-01 Ec_ueg -0.1069102E-01 Delta_ex -0.5615390E-01 Delta_ec 0.1220481E-01 Delta_et -0.1674742E+00 Pxc 0.7258745E+01 Qxc -0.4600965E+01 3,-1 179 3 -1 0.594796 1.860549 2.862285 Rho 0.1285099E+00 |GRAD(Rho)| 0.5684702E-12 GRAD(Rho)x 0.3707104E-12 GRAD(Rho)y -0.4060143E-12 GRAD(Rho)z 0.1445152E-12 Laplacian 0.5484571E+00 (-1/4)Del**2(Rho)) -0.1371143E+00 Diamond 0.9441084E+00 Metallicity 0.4111796E+01 Ellipticity 0.1614971E-01 Gb(Abramov) 0.1853738E+00 Vb(Abramov) -0.2336334E+00 Hb(Abramov) -0.4825956E-01 Ex_ueg -0.4789615E-01 Ec_ueg -0.7082385E-02 Delta_ex -0.5698278E-01 Delta_ec 0.1490951E-01 Delta_et -0.1947123E+00 Pxc 0.6762714E+01 Qxc -0.3821909E+01 3,-1 180 3 -1 -4.269059 3.850496 -0.839462 Rho 0.3374533E+00 |GRAD(Rho)| 0.1253740E-14 GRAD(Rho)x 0.8033553E-15 GRAD(Rho)y 0.4339790E-15 GRAD(Rho)z -0.8591548E-15 Laplacian -0.1711478E+01 (-1/4)Del**2(Rho)) 0.4278696E+00 Diamond 0.6286823E+01 Metallicity -0.6585640E+01 Ellipticity 0.3219256E-03 Gb(Abramov) 0.1843861E+00 Vb(Abramov) -0.7966418E+00 Hb(Abramov) -0.6122557E+00 Ex_ueg -0.1735149E+00 Ec_ueg -0.2143705E-01 Delta_ex 0.1743161E+00 Delta_ec 0.5918768E-01 Delta_et -0.1437885E+01 Pxc 0.8094157E+01 Qxc 0.2945141E+01 3,-1 181 3 -1 3.219847 -3.246445 -0.081014 Rho 0.2309295E+00 |GRAD(Rho)| 0.3128022E-12 GRAD(Rho)x -0.2098923E-12 GRAD(Rho)y 0.2215023E-12 GRAD(Rho)z 0.6875427E-13 Laplacian 0.8446128E+00 (-1/4)Del**2(Rho)) -0.2111532E+00 Diamond 0.2853530E+01 Metallicity 0.7091768E+01 Ellipticity 0.2392336E-02 Gb(Abramov) 0.3903437E+00 Vb(Abramov) -0.5695342E+00 Hb(Abramov) -0.1791905E+00 Ex_ueg -0.1046384E+00 Ec_ueg -0.1381435E-01 Delta_ex -0.1010365E+00 Delta_ec 0.1888773E-01 Delta_et -0.2613055E+00 Pxc 0.7574614E+01 Qxc -0.5349320E+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 79 133 175 115 142 141 131 122 136 135 117 109 132 116 110 120 146 148 176 129 179 83 118 121 177 151 159 157 170 158 181 137 160 152 169 162 171 97 73 101 76 102 64 99 78 59 80 174 72 85 70 90 62 84 67 89 69 86 71 94 66 153 166 154 163 155 173 139 164 156 167 147 172 178 126 140 130 165 114 180 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 18 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 20 28 54 2.426369 2.013901 2.024628 1.976734 2.016576 1.798781 2.399313 1.894097 1.938569 1.916075 1.984036 1.756886 2.445125 1.979536 2.025769 1.993705 2.049043 1.799229 2.471714 1.972631 2.001901 2.056320 2.017681 1.796043 2.431158 1.902202 1.978448 1.899471 1.937555 1.758126 2.426954 1.916233 1.930932 1.954151 1.925628 1.759357 2.315508 1.951407 1.912141 2.050740 1.958208 1.966073 2.420435 1.934828 1.904226 1.918674 1.961150 1.757563 2.446569 1.985291 1.960462 2.053830 2.051126 1.797783 2.447466 1.984776 1.912582 1.919379 1.908210 1.755403 2.429734 2.021241 1.959448 2.075305 1.994413 1.800306 2.427233 2.026127 2.043712 2.002325 1.972332 1.797739 1.701677 1.705983 1.700167 1.716953 3.314818 3.237563 0.975998 2.428375 2.014171 2.024844 1.977034 2.016924 1.798787 2.401145 1.894410 1.939036 1.916557 1.984607 1.756898 2.447206 1.979715 2.025883 1.993995 2.049318 1.799237 2.473513 1.972810 2.002188 2.056616 2.017868 1.796044 2.432722 1.902541 1.978837 1.899895 1.938088 1.758136 2.428491 1.916587 1.931268 1.954652 1.926143 1.759368 2.317259 1.951667 1.912417 2.051025 1.958530 1.967273 2.422002 1.935285 1.904572 1.919186 1.961680 1.757574 2.448669 1.985404 1.960656 2.054100 2.051399 1.797786 2.448934 1.985201 1.912961 1.919784 1.908665 1.755412 2.431702 2.021532 1.959625 2.075599 1.994703 1.800312 2.429240 2.026339 2.043911 2.002679 1.972628 1.797748 1.701682 1.705986 1.700169 1.716962 3.318882 3.241732 0.976125 29 29 28 26 25 24 28 27 25 28 27 23 30 27 27 24 25 25 29 28 24 28 25 23 27 26 25 29 25 25 28 27 27 27 25 24 28 24 26 24 29 24 30 25 25 24 27 21 31 25 28 24 24 22 31 24 28 25 28 22 27 26 25 26 25 26 29 26 24 30 24 24 24 21 21 22 35 35 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 W Ta Ta W W Ta W Ta W 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 2.2029 2.4265 2.1924 2.1855 2.4176 2.4133 2.3782 2.4269 2.2028 2.4172 2.1942 2.1983 -1.1122 -1.1169 -1.1102 -1.1219 -0.9748 -0.9833 -1.0122 -0.9897 -0.9792 -1.0185 -1.0242 -0.9874 -1.0021 -0.9813 -0.9937 -0.9740 -1.0025 -1.0097 -1.0175 -1.0053 -1.0431 -1.0427 -1.0023 -1.0079 -0.9971 -1.0372 -1.0144 -1.0132 -0.9560 -0.8559 -0.9605 -0.9522 -0.8625 -0.8673 -0.8335 -0.8590 -0.9562 -0.8547 -0.9611 -0.9529 2.5119 0.2785 2.1089 2.1054 2.1162 2.1172 2.1095 2.1142 2.1007 2.1037 2.1105 2.1090 2.1132 2.1107 1.9379 1.9374 1.9387 1.9352 1.9278 1.9279 1.9262 1.9268 1.9285 1.9226 1.9220 1.9272 1.9258 1.9281 1.9258 1.9283 1.9360 1.9347 1.9326 1.9348 1.9288 1.9288 1.9348 1.9352 1.9357 1.9304 1.9337 1.9338 1.9390 1.9560 1.9390 1.9402 1.9553 1.9547 1.8712 1.9553 1.9397 1.9566 1.9386 1.9394 0.8349 0.6110 6.0787 6.0998 6.0859 6.0879 6.1032 6.1066 6.0788 6.1001 6.0825 6.1032 6.0828 6.0807 5.1375 5.1417 5.1345 5.1499 5.0189 5.0285 5.0614 5.0367 5.0237 5.0714 5.0781 5.0336 5.0512 5.0262 5.0418 5.0175 5.0385 5.0477 5.0575 5.0430 5.0890 5.0884 5.0395 5.0450 5.0323 5.0816 5.0530 5.0524 4.9912 4.8676 4.9958 4.9859 4.8751 4.8807 4.9340 4.8715 4.9907 4.8655 4.9969 4.9876 1.1127 0.1105 2.5750 3.3387 2.5713 2.5752 3.3402 3.3364 2.4053 3.3397 2.5700 3.3412 2.5754 2.5760 0.0369 0.0378 0.0371 0.0368 0.0281 0.0269 0.0247 0.0262 0.0270 0.0244 0.0240 0.0266 0.0250 0.0270 0.0261 0.0281 0.0281 0.0273 0.0274 0.0275 0.0253 0.0255 0.0281 0.0277 0.0292 0.0252 0.0276 0.0270 0.0258 0.0323 0.0257 0.0261 0.0321 0.0319 0.0284 0.0322 0.0259 0.0325 0.0256 0.0259 10.5405 0.0000 14.0345 14.0295 14.0342 14.0342 14.0296 14.0295 14.0369 14.0296 14.0342 14.0294 14.0343 14.0343 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 Ta Ta W W Ta W Ta W 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 2.362115 2.497824 2.358613 2.356849 2.495311 2.494841 2.417476 2.497116 2.357946 2.494176 2.358679 2.361687 -1.094213 -1.094450 -1.096242 -1.095267 -0.999459 -1.012607 -1.037360 -1.022994 -1.009236 -1.054410 -1.061950 -1.016181 -1.039111 -1.011456 -1.025813 -0.998854 -1.012797 -1.017730 -1.026225 -1.014195 -1.058932 -1.058609 -1.012988 -1.013647 -0.997202 -1.046671 -1.021704 -1.024165 -1.046186 -0.906075 -1.051325 -1.041125 -0.913833 -0.920555 -0.646060 -0.910286 -1.044577 -0.904525 -1.052947 -1.042298 2.317120 0.084507 1.838730 1.927023 1.838545 1.837607 1.927510 1.927067 1.759839 1.923479 1.834034 1.927841 1.836839 1.841966 -0.715921 -0.716445 -0.717202 -0.704107 -0.750099 -0.767642 -0.761713 -0.775420 -0.779416 -0.810762 -0.820544 -0.774504 -0.779870 -0.770096 -0.782808 -0.740804 -0.861184 -0.866323 -0.865278 -0.840102 -0.904422 -0.903048 -0.859984 -0.862011 -0.830848 -0.867355 -0.863439 -0.868667 -0.990859 -0.827748 -0.998223 -0.985918 -0.835312 -0.846135 -0.865314 -0.833141 -0.988676 -0.824921 -0.999818 -0.986427 1.740801 0.381223 1.960778 2.042595 1.965514 1.960071 2.040600 2.046283 1.945827 2.039726 1.956305 2.042191 1.960570 1.963921 -0.795071 -0.793425 -0.798400 -0.790037 -0.835779 -0.851240 -0.875644 -0.858715 -0.858187 -0.901233 -0.909392 -0.859734 -0.886134 -0.850435 -0.869445 -0.825185 -0.888050 -0.900377 -0.901113 -0.875642 -0.945740 -0.941086 -0.888993 -0.890271 -0.866639 -0.911989 -0.896723 -0.901149 -0.964512 -0.791042 -0.969540 -0.958349 -0.800548 -0.808782 -0.851539 -0.797058 -0.961419 -0.788423 -0.972921 -0.959414 1.667372 0.397619 -9.59538519 -0.22047140 -1.65533149 9.73961739 24.72140006 -25.06193175 -7.77663692 14.51592991 8.51274353 -39.23732997 -383.4892 433.7983 -2.2800 -442.9680 -95.5334 -490.4723 Jun21-2024 20:52:16 Nodes: 1 Procs: 1 Jun21-2024 20:52:30 Nodes: 1 Procs: 1 0 Jun21-2024 20:52:39 Nodes: 1 Procs: 1 Jun21-2024 20:52:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 20:53:00 Nodes: 1 Procs: 1 Jun21-2024 20:53:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 20:53:09 Nodes: 1 Procs: 1 Jun21-2024 20:53:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 20:53:15 Nodes: 1 Procs: 1 Jun21-2024 20:53:20 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 20:53:29 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -17.62893952 -17.90675357 -17.92428280 -18.00757377 -18.01538972 -18.01970574 -18.02167002 -18.02294540 -18.02383331 -18.02399351 -18.02421871 -18.02436804 -18.02449938 -18.02452588 GEOMETRY CONVERGED