ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:46:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 2.21 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 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:46:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.05 2.40 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 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 Jun11-2024 04:46:56 Nodes: 1 Procs: 1 Jun11-2024 04:46:58 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:47:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.60 0.05 2.09 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 Jun11-2024 04:46:56 Nodes: 1 Procs: 1 Jun11-2024 04:46:58 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:47:01 Nodes: 1 Procs: 1 Jun11-2024 04:47:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:47:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.04 1.41 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 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 Jun11-2024 04:46:56 Nodes: 1 Procs: 1 Jun11-2024 04:46:58 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:47:01 Nodes: 1 Procs: 1 Jun11-2024 04:47:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:47:06 Nodes: 1 Procs: 1 Jun11-2024 04:47:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:47:10 Hydrogen (TZP) c5-50 c5-50 c5-50 c5-50 c5-50 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.90 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 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 Jun11-2024 04:46:56 Nodes: 1 Procs: 1 Jun11-2024 04:46:58 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:47:01 Nodes: 1 Procs: 1 Jun11-2024 04:47:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:47:06 Nodes: 1 Procs: 1 Jun11-2024 04:47:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:47:10 Nodes: 1 Procs: 1 Jun11-2024 04:47:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:47:18 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2393.577600000001 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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.Mo ADF 2019.304 Jun11-2024 04:47:03 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun11-2024 04:47:13 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun11-2024 04:47:07 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun11-2024 04:46:58 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun11-2024 04:46:54 1 1 Hydrogen TZP 1 1 -15.89111373 0.23436230 0.00100000 F 0.10333528 0.00066667 F 0.23436230 0.10333528 0.13094639 0.01000000 F 0.04565019 0.00666667 F Cartesian 2393.577600000001 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3.802878 0.218621 -3.747847 3.856854 -0.234309 -3.693903 -3.784335 0.198456 -3.791773 0.240503 -3.688085 -3.821516 -0.181384 3.693334 3.833134 0.184410 3.684821 3.824094 -0.224088 -3.682693 0.003622 0.002047 -0.008839 -4.320343 3.850856 -1.032147 1 3 -3 0.075949 -2.492145 2.608406 Rho 0.1240647E+06 3,-3 2 3 -3 -0.100826 -2.516463 -2.629948 Rho 0.1240647E+06 3,-3 3 3 -3 -0.060668 2.490747 2.634124 Rho 0.1240647E+06 3,-3 4 3 -3 2.489882 -2.657422 0.105934 Rho 0.1240647E+06 3,-3 5 3 -3 2.646184 -0.154662 2.500257 Rho 0.1240647E+06 3,-3 6 3 -3 2.639064 0.090486 -2.489986 Rho 0.1240647E+06 3,-3 7 3 -3 0.153260 2.495754 -2.619978 Rho 0.4361414E+07 3,-3 8 3 -3 2.498728 2.597906 -0.099333 Rho 0.4361414E+07 3,-3 9 3 -3 -2.460238 2.563613 0.104967 Rho 0.4361413E+07 3,-3 10 3 -3 -2.506861 -2.579562 -0.122643 Rho 0.4361414E+07 3,-3 11 3 -3 -2.567345 -0.115484 -2.533459 Rho 0.4361414E+07 3,-3 12 3 -3 -2.609277 0.128244 2.512862 Rho 0.4361414E+07 3,-3 13 3 -3 0.965011 -0.965858 0.980983 Rho 0.3190512E+03 3,-3 14 3 -3 -0.978801 -0.968362 -0.990959 Rho 0.3190195E+03 3,-3 15 3 -3 0.977432 0.992367 -0.979822 Rho 0.3190191E+03 3,-3 16 3 -3 -0.999833 1.001151 0.946736 Rho 0.3190101E+03 3,-3 17 3 -3 -2.980301 -1.163116 1.147340 Rho 0.3188809E+03 3,-3 18 3 -3 3.006321 -1.175829 -1.143801 Rho 0.3190415E+03 3,-3 19 3 -3 -2.968539 1.161864 -1.103456 Rho 0.3189232E+03 3,-3 20 3 -3 2.978973 1.182186 1.144993 Rho 0.3189470E+03 3,-3 21 3 -3 1.164170 -1.152830 -3.002382 Rho 0.3190362E+03 3,-3 22 3 -3 1.175588 1.165776 3.034870 Rho 0.3190647E+03 3,-3 23 3 -3 -1.158569 1.135933 -2.996221 Rho 0.3188688E+03 3,-3 24 3 -3 -1.176137 -1.112860 3.020880 Rho 0.3189636E+03 3,-3 25 3 -3 -1.136252 2.979335 -1.150319 Rho 0.3189287E+03 3,-3 26 3 -3 -1.127250 -2.989686 1.161048 Rho 0.3189462E+03 3,-3 27 3 -3 1.114895 3.016362 1.153943 Rho 0.3189439E+03 3,-3 28 3 -3 1.153778 -3.031054 -1.177573 Rho 0.3190327E+03 3,-3 29 3 -3 3.440806 -1.532999 1.488028 Rho 0.3191477E+03 3,-3 30 3 -3 -3.406582 -1.516586 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3.856854 -0.234309 Rho 0.3186964E+03 3,-3 48 3 -3 -3.693903 -3.784335 0.198456 Rho 0.3194231E+03 3,-3 49 3 -3 -3.791773 0.240503 -3.688085 Rho 0.3194344E+03 3,-3 50 3 -3 -3.821516 -0.181384 3.693334 Rho 0.3194317E+03 3,-3 51 3 -3 3.833134 0.184410 3.684821 Rho 0.3195774E+03 3,-3 52 3 -3 3.824094 -0.224088 -3.682693 Rho 0.3195742E+03 3,-3 53 3 -3 0.003622 0.002047 -0.008839 Rho 0.4276079E+05 3,-3 54 3 -3 -4.320343 3.850856 -1.032147 Rho 0.4429754E+00 3,-3 55 3 +1 -0.562830 -0.499886 1.662628 Rho 0.8555147E-02 |GRAD(Rho)| 0.1456665E-13 GRAD(Rho)x 0.2243371E-14 GRAD(Rho)y 0.1015147E-13 GRAD(Rho)z -0.1020304E-13 Laplacian 0.3294834E-01 (-1/4)Del**2(Rho)) -0.8237084E-02 Diamond 0.8805142E-03 Metallicity 0.7484431E+00 Ellipticity -0.1464764E+01 Gb(Abramov) 0.6518887E-02 Vb(Abramov) -0.4800691E-02 Hb(Abramov) 0.1718196E-02 Ex_ueg -0.1292275E-02 Ec_ueg -0.3029737E-03 Delta_ex -0.1505503E-02 Delta_ec 0.4677160E-03 Delta_et -0.3189203E-02 Pxc 0.4265305E+01 Qxc -0.3218839E+01 3,+1 56 3 -1 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-0.3390964E-02 Pxc 0.4283191E+01 Qxc -0.3298533E+01 3,+1 58 3 +1 -1.649116 0.510379 -0.549205 Rho 0.9578148E-02 |GRAD(Rho)| 0.8069069E-13 GRAD(Rho)x 0.5117385E-13 GRAD(Rho)y 0.4310616E-13 GRAD(Rho)z -0.4510083E-13 Laplacian 0.3850921E-01 (-1/4)Del**2(Rho)) -0.9627302E-02 Diamond 0.1173611E-02 Metallicity 0.7730088E+00 Ellipticity -0.1436671E+01 Gb(Abramov) 0.7658533E-02 Vb(Abramov) -0.5689764E-02 Hb(Abramov) 0.1968769E-02 Ex_ueg -0.1502313E-02 Ec_ueg -0.3489549E-03 Delta_ex -0.1800300E-02 Delta_ec 0.5279168E-03 Delta_et -0.3720200E-02 Pxc 0.4305178E+01 Qxc -0.3410197E+01 3,+1 59 3 -1 -0.531840 -1.709507 -1.775457 Rho 0.4201870E-01 |GRAD(Rho)| 0.5051872E-16 GRAD(Rho)x 0.1903251E-16 GRAD(Rho)y -0.1707216E-16 GRAD(Rho)z 0.4357116E-16 Laplacian 0.1779051E+00 (-1/4)Del**2(Rho)) -0.4447627E-01 Diamond 0.7274834E-01 Metallicity 0.1967112E+01 Ellipticity 0.1132888E-01 Gb(Abramov) 0.4423248E-01 Vb(Abramov) -0.4398869E-01 Hb(Abramov) 0.2437869E-03 Ex_ueg -0.1078885E-01 Ec_ueg -0.1978695E-02 Delta_ex -0.1410470E-01 Delta_ec 0.5458145E-02 Delta_et -0.5498944E-01 Pxc 0.5452507E+01 Qxc -0.2584155E+01 3,-1 60 3 +3 0.009201 -2.323092 -0.027993 Rho 0.4595059E-02 |GRAD(Rho)| 0.3832640E-17 GRAD(Rho)x 0.2930030E-17 GRAD(Rho)y -0.7884515E-18 GRAD(Rho)z 0.2341453E-17 Laplacian 0.1863049E-01 (-1/4)Del**2(Rho)) -0.4657624E-02 Diamond 0.1672656E-03 Metallicity 0.4697576E+00 Ellipticity -0.3395469E+00 Gb(Abramov) 0.3469741E-02 Vb(Abramov) -0.2281859E-02 Hb(Abramov) 0.1187882E-02 Ex_ueg -0.5642087E-03 Ec_ueg -0.1295284E-03 Delta_ex -0.6821769E-03 Delta_ec 0.1773761E-03 Delta_et -0.1106023E-02 Pxc 0.4355870E+01 Qxc -0.3845935E+01 3,+3 61 3 -1 -3.155258 3.236191 -0.103810 Rho 0.1762668E+00 |GRAD(Rho)| 0.3392570E-13 GRAD(Rho)x 0.2430798E-13 GRAD(Rho)y -0.2146999E-13 GRAD(Rho)z 0.9955646E-14 Laplacian 0.6870271E+00 (-1/4)Del**2(Rho)) -0.1717568E+00 Diamond 0.1715579E+01 Metallicity 0.5558066E+01 Ellipticity 0.1146295E+00 Gb(Abramov) 0.2736104E+00 Vb(Abramov) -0.3754641E+00 Hb(Abramov) -0.1018536E+00 Ex_ueg -0.7299266E-01 Ec_ueg -0.1014567E-01 Delta_ex -0.7700348E-01 Delta_ec 0.1709660E-01 Delta_et -0.2332745E+00 Pxc 0.7194463E+01 Qxc -0.4504022E+01 3,-1 62 3 +1 0.533719 -1.680715 -0.551625 Rho 0.8315937E-02 |GRAD(Rho)| 0.3828370E-13 GRAD(Rho)x 0.9543340E-14 GRAD(Rho)y 0.9975741E-14 GRAD(Rho)z 0.3570785E-13 Laplacian 0.3195229E-01 (-1/4)Del**2(Rho)) -0.7988072E-02 Diamond 0.8413141E-03 Metallicity 0.7361446E+00 Ellipticity -0.1483523E+01 Gb(Abramov) 0.6305444E-02 Vb(Abramov) -0.4622816E-02 Hb(Abramov) 0.1682628E-02 Ex_ueg -0.1244323E-02 Ec_ueg -0.2922883E-03 Delta_ex -0.1458901E-02 Delta_ec 0.4702174E-03 Delta_et -0.3169345E-02 Pxc 0.4257178E+01 Qxc -0.3102610E+01 3,+1 63 3 +1 -2.870585 -0.199928 -0.184255 Rho 0.5561187E-02 |GRAD(Rho)| 0.5311828E-17 GRAD(Rho)x -0.1183313E-17 GRAD(Rho)y -0.4264779E-17 GRAD(Rho)z 0.2937167E-17 Laplacian 0.2332787E-01 (-1/4)Del**2(Rho)) -0.5831967E-02 Diamond 0.5617119E-03 Metallicity 0.5156449E+00 Ellipticity -0.2055227E+01 Gb(Abramov) 0.4389182E-02 Vb(Abramov) -0.2946397E-02 Hb(Abramov) 0.1442785E-02 Ex_ueg -0.7276822E-03 Ec_ueg -0.1711424E-03 Delta_ex -0.1130938E-02 Delta_ec 0.6396916E-03 Delta_et -0.3624564E-02 Pxc 0.4251912E+01 Qxc -0.1767942E+01 3,+1 64 3 -1 -3.266088 -0.038986 3.152512 Rho 0.2555746E+00 |GRAD(Rho)| 0.2035550E-12 GRAD(Rho)x 0.1460319E-12 GRAD(Rho)y 0.3465034E-13 GRAD(Rho)z -0.1375087E-12 Laplacian 0.9251749E+00 (-1/4)Del**2(Rho)) -0.2312937E+00 Diamond 0.3519617E+01 Metallicity 0.7666293E+01 Ellipticity 0.2168464E-02 Gb(Abramov) 0.4497234E+00 Vb(Abramov) -0.6681531E+00 Hb(Abramov) -0.2184297E+00 Ex_ueg -0.1197867E+00 Ec_ueg -0.1552238E-01 Delta_ex -0.1135896E+00 Delta_ec 0.1996913E-01 Delta_et -0.2766401E+00 Pxc 0.7717033E+01 Qxc -0.5688258E+01 3,-1 65 3 -1 -3.023117 0.875597 1.948793 Rho 0.1487756E+00 |GRAD(Rho)| 0.6864092E-15 GRAD(Rho)x 0.2733951E-15 GRAD(Rho)y -0.4514076E-15 GRAD(Rho)z 0.4389121E-15 Laplacian 0.5904877E+00 (-1/4)Del**2(Rho)) -0.1476219E+00 Diamond 0.1188421E+01 Metallicity 0.4874782E+01 Ellipticity 0.5733769E-01 Gb(Abramov) 0.2183521E+00 Vb(Abramov) -0.2890822E+00 Hb(Abramov) -0.7073013E-01 Ex_ueg -0.5822292E-01 Ec_ueg -0.8365181E-02 Delta_ex -0.6332070E-01 Delta_ec 0.1507583E-01 Delta_et -0.2006034E+00 Pxc 0.6960151E+01 Qxc -0.4200148E+01 3,-1 66 3 +1 -2.180485 1.107409 1.330661 Rho 0.3030542E-01 |GRAD(Rho)| 0.8817254E-16 GRAD(Rho)x -0.7455953E-16 GRAD(Rho)y 0.4291293E-16 GRAD(Rho)z 0.1933273E-16 Laplacian 0.1217877E+00 (-1/4)Del**2(Rho)) -0.3044692E-01 Diamond 0.2001152E-01 Metallicity 0.1666775E+01 Ellipticity -0.3639278E+01 Gb(Abramov) 0.2875597E-01 Vb(Abramov) -0.2706503E-01 Hb(Abramov) 0.1690948E-02 Ex_ueg -0.6978232E-02 Ec_ueg -0.1359372E-02 Delta_ex -0.7913314E-02 Delta_ec 0.1953710E-02 Delta_et -0.1807198E-01 Pxc 0.5133424E+01 Qxc -0.4050403E+01 3,+1 67 3 +1 0.506536 1.676942 0.529843 Rho 0.8952625E-02 |GRAD(Rho)| 0.8464253E-17 GRAD(Rho)x -0.6152397E-17 GRAD(Rho)y 0.1138942E-17 GRAD(Rho)z 0.5700386E-17 Laplacian 0.3484021E-01 (-1/4)Del**2(Rho)) -0.8710053E-02 Diamond 0.9805429E-03 Metallicity 0.7634543E+00 Ellipticity -0.1459974E+01 Gb(Abramov) 0.6914990E-02 Vb(Abramov) -0.5119927E-02 Hb(Abramov) 0.1795063E-02 Ex_ueg -0.1372942E-02 Ec_ueg -0.3207850E-03 Delta_ex -0.1606092E-02 Delta_ec 0.4869582E-03 Delta_et -0.3365507E-02 Pxc 0.4279945E+01 Qxc -0.3298213E+01 3,+1 68 3 +3 -1.097700 -1.089820 1.126563 Rho 0.5265997E-02 |GRAD(Rho)| 0.3098215E-17 GRAD(Rho)x -0.1556605E-18 GRAD(Rho)y 0.1479962E-17 GRAD(Rho)z -0.2717429E-17 Laplacian 0.2039237E-01 (-1/4)Del**2(Rho)) -0.5098091E-02 Diamond 0.1511909E-03 Metallicity 0.5386167E+00 Ellipticity -0.8708900E-01 Gb(Abramov) 0.3856381E-02 Vb(Abramov) -0.2614670E-02 Hb(Abramov) 0.1241711E-02 Ex_ueg -0.6766423E-03 Ec_ueg -0.1583776E-03 Delta_ex -0.7132980E-03 Delta_ec 0.8719905E-04 Delta_et -0.7039933E-03 Pxc 0.4272335E+01 Qxc -0.8180113E+01 3,+3 69 3 -1 -3.149949 -3.232181 0.050631 Rho 0.2546384E+00 |GRAD(Rho)| 0.1256534E-13 GRAD(Rho)x 0.1085785E-13 GRAD(Rho)y 0.7781319E-15 GRAD(Rho)z 0.6276094E-14 Laplacian 0.9253991E+00 (-1/4)Del**2(Rho)) -0.2313498E+00 Diamond 0.3499387E+01 Metallicity 0.7617701E+01 Ellipticity 0.1468331E-02 Gb(Abramov) 0.4479588E+00 Vb(Abramov) -0.6645677E+00 Hb(Abramov) -0.2166090E+00 Ex_ueg -0.1192020E+00 Ec_ueg -0.1545689E-01 Delta_ex -0.1134801E+00 Delta_ec 0.1994762E-01 Delta_et -0.2760937E+00 Pxc 0.7711902E+01 Qxc -0.5688903E+01 3,-1 70 3 -1 -2.966708 -2.001916 -0.852706 Rho 0.1374784E+00 |GRAD(Rho)| 0.1154448E-15 GRAD(Rho)x 0.8793557E-16 GRAD(Rho)y -0.1951564E-16 GRAD(Rho)z -0.7220786E-16 Laplacian 0.5405236E+00 (-1/4)Del**2(Rho)) -0.1351309E+00 Diamond 0.9922362E+00 Metallicity 0.4668626E+01 Ellipticity 0.2786575E-01 Gb(Abramov) 0.1952332E+00 Vb(Abramov) -0.2553355E+00 Hb(Abramov) -0.6010232E-01 Ex_ueg -0.5240398E-01 Ec_ueg -0.7646834E-02 Delta_ex -0.5688809E-01 Delta_ec 0.1412583E-01 Delta_et -0.1858910E+00 Pxc 0.6853030E+01 Qxc -0.4027239E+01 3,-1 71 3 +1 -1.658086 -0.524273 0.520176 Rho 0.9042376E-02 |GRAD(Rho)| 0.4579642E-15 GRAD(Rho)x -0.3592626E-15 GRAD(Rho)y -0.2123101E-15 GRAD(Rho)z 0.1886427E-15 Laplacian 0.3518912E-01 (-1/4)Del**2(Rho)) -0.8797281E-02 Diamond 0.1004116E-02 Metallicity 0.7685562E+00 Ellipticity -0.1464506E+01 Gb(Abramov) 0.6991721E-02 Vb(Abramov) -0.5186162E-02 Hb(Abramov) 0.1805560E-02 Ex_ueg -0.1391325E-02 Ec_ueg -0.3248164E-03 Delta_ex -0.1626378E-02 Delta_ec 0.4919757E-03 Delta_et -0.3408761E-02 Pxc 0.4283418E+01 Qxc -0.3305810E+01 3,+1 72 3 +1 -0.505685 1.659766 -0.554302 Rho 0.9410035E-02 |GRAD(Rho)| 0.1501896E-16 GRAD(Rho)x 0.3663808E-17 GRAD(Rho)y -0.9786897E-17 GRAD(Rho)z 0.1078713E-16 Laplacian 0.3768752E-01 (-1/4)Del**2(Rho)) -0.9421881E-02 Diamond 0.1124728E-02 Metallicity 0.7668921E+00 Ellipticity -0.1437391E+01 Gb(Abramov) 0.7485515E-02 Vb(Abramov) -0.5549149E-02 Hb(Abramov) 0.1936366E-02 Ex_ueg -0.1467259E-02 Ec_ueg -0.3413674E-03 Delta_ex -0.1755338E-02 Delta_ec 0.5192176E-03 Delta_et -0.3640429E-02 Pxc 0.4298180E+01 Qxc -0.3380738E+01 3,+1 73 3 -1 -2.949683 1.999067 0.829027 Rho 0.1372895E+00 |GRAD(Rho)| 0.7589665E-15 GRAD(Rho)x 0.1726253E-15 GRAD(Rho)y 0.3966689E-15 GRAD(Rho)z -0.6236060E-15 Laplacian 0.5316281E+00 (-1/4)Del**2(Rho)) -0.1329070E+00 Diamond 0.9691065E+00 Metallicity 0.4735879E+01 Ellipticity 0.2011618E-01 Gb(Abramov) 0.1935100E+00 Vb(Abramov) -0.2541129E+00 Hb(Abramov) -0.6060293E-01 Ex_ueg -0.5230799E-01 Ec_ueg -0.7634891E-02 Delta_ex -0.5587504E-01 Delta_ec 0.1379411E-01 Delta_et -0.1812783E+00 Pxc 0.6851177E+01 Qxc -0.4050645E+01 3,-1 74 3 +1 -0.522455 0.538006 -1.661805 Rho 0.9154893E-02 |GRAD(Rho)| 0.1858175E-15 GRAD(Rho)x -0.1588306E-15 GRAD(Rho)y -0.7531228E-17 GRAD(Rho)z -0.9614711E-16 Laplacian 0.3578049E-01 (-1/4)Del**2(Rho)) -0.8945123E-02 Diamond 0.1033203E-02 Metallicity 0.7715942E+00 Ellipticity -0.1459432E+01 Gb(Abramov) 0.7113750E-02 Vb(Abramov) -0.5282376E-02 Hb(Abramov) 0.1831374E-02 Ex_ueg -0.1414456E-02 Ec_ueg -0.3298754E-03 Delta_ex -0.1656790E-02 Delta_ec 0.4964266E-03 Delta_et -0.3453553E-02 Pxc 0.4287849E+01 Qxc -0.3337431E+01 3,+1 75 3 +3 -0.009866 0.041607 2.320541 Rho 0.4454462E-02 |GRAD(Rho)| 0.8893370E-11 GRAD(Rho)x -0.5782222E-11 GRAD(Rho)y -0.5744792E-11 GRAD(Rho)z 0.3557429E-11 Laplacian 0.1801766E-01 (-1/4)Del**2(Rho)) -0.4504414E-02 Diamond 0.1532654E-03 Metallicity 0.4612187E+00 Ellipticity -0.3388640E+00 Gb(Abramov) 0.3349196E-02 Vb(Abramov) -0.2193978E-02 Hb(Abramov) 0.1155218E-02 Ex_ueg -0.5413092E-03 Ec_ueg -0.1235121E-03 Delta_ex -0.6525775E-03 Delta_ec 0.1680221E-03 Delta_et -0.1044591E-02 Pxc 0.4382639E+01 Qxc -0.3883880E+01 3,+3 76 3 +1 2.165590 -1.407177 1.056773 Rho 0.2561447E-01 |GRAD(Rho)| 0.4909448E-16 GRAD(Rho)x -0.1598734E-16 GRAD(Rho)y -0.3870923E-16 GRAD(Rho)z -0.2561773E-16 Laplacian 0.1014658E+00 (-1/4)Del**2(Rho)) -0.2536644E-01 Diamond 0.1355517E-01 Metallicity 0.1511597E+01 Ellipticity -0.3331628E+01 Gb(Abramov) 0.2330160E-01 Vb(Abramov) -0.2123676E-01 Hb(Abramov) 0.2064841E-02 Ex_ueg -0.5576549E-02 Ec_ueg -0.1119701E-02 Delta_ex -0.6334200E-02 Delta_ec 0.1690529E-02 Delta_et -0.1501804E-01 Pxc 0.4980390E+01 Qxc -0.3746875E+01 3,+1 77 3 -1 -2.743405 -1.822730 0.550679 Rho 0.1324505E+00 |GRAD(Rho)| 0.7532403E-14 GRAD(Rho)x 0.1100906E-14 GRAD(Rho)y -0.5764147E-14 GRAD(Rho)z -0.4722256E-14 Laplacian 0.5594974E+00 (-1/4)Del**2(Rho)) -0.1398744E+00 Diamond 0.9798613E+00 Metallicity 0.4238748E+01 Ellipticity 0.1164490E-01 Gb(Abramov) 0.1920649E+00 Vb(Abramov) -0.2442555E+00 Hb(Abramov) -0.5219058E-01 Ex_ueg -0.4986430E-01 Ec_ueg -0.7329744E-02 Delta_ex -0.5833028E-01 Delta_ec 0.1470606E-01 Delta_et -0.1922988E+00 Pxc 0.6803007E+01 Qxc -0.3966411E+01 3,-1 78 3 -1 -0.007969 -0.023982 -2.889865 Rho 0.5412264E-02 |GRAD(Rho)| 0.6550873E-13 GRAD(Rho)x -0.6406517E-13 GRAD(Rho)y 0.8297090E-14 GRAD(Rho)z 0.1087224E-13 Laplacian 0.2167652E-01 (-1/4)Del**2(Rho)) -0.5419129E-02 Diamond 0.6485159E-03 Metallicity 0.5303818E+00 Ellipticity 0.2683703E+01 Gb(Abramov) 0.4091787E-02 Vb(Abramov) -0.2764445E-02 Hb(Abramov) 0.1327342E-02 Ex_ueg -0.7018167E-03 Ec_ueg -0.1646971E-03 Delta_ex -0.1166446E-02 Delta_ec 0.8111465E-03 Delta_et -0.4459706E-02 Pxc 0.4261257E+01 Qxc -0.1438022E+01 3,-1 79 3 +1 -1.721992 -1.733702 1.755614 Rho 0.1224021E-01 |GRAD(Rho)| 0.6547440E-14 GRAD(Rho)x 0.2865753E-14 GRAD(Rho)y 0.3141691E-14 GRAD(Rho)z 0.4978575E-14 Laplacian 0.6187401E-01 (-1/4)Del**2(Rho)) -0.1546850E-01 Diamond 0.2542422E-02 Metallicity 0.7240243E+00 Ellipticity -0.1240623E+01 Gb(Abramov) 0.1217893E-01 Vb(Abramov) -0.8889358E-02 Hb(Abramov) 0.3289572E-02 Ex_ueg -0.2083389E-02 Ec_ueg -0.4706694E-03 Delta_ex -0.3055870E-02 Delta_ec 0.8005085E-03 Delta_et -0.6033609E-02 Pxc 0.4426438E+01 Qxc -0.3817411E+01 3,+1 80 3 +3 1.111005 -1.133405 -1.107739 Rho 0.5057451E-02 |GRAD(Rho)| 0.3683709E-14 GRAD(Rho)x 0.1640709E-14 GRAD(Rho)y -0.1321041E-14 GRAD(Rho)z -0.3022025E-14 Laplacian 0.1944498E-01 (-1/4)Del**2(Rho)) -0.4861246E-02 Diamond 0.1383179E-03 Metallicity 0.5280703E+00 Ellipticity -0.6191231E-01 Gb(Abramov) 0.3668677E-02 Vb(Abramov) -0.2476109E-02 Hb(Abramov) 0.1192569E-02 Ex_ueg -0.6411515E-03 Ec_ueg -0.1493860E-03 Delta_ex -0.6742978E-03 Delta_ec 0.8628539E-04 Delta_et -0.6826126E-03 Pxc 0.4291912E+01 Qxc -0.7814739E+01 3,+3 81 3 +1 -2.166187 -1.282728 -1.171406 Rho 0.2974103E-01 |GRAD(Rho)| 0.4222734E-15 GRAD(Rho)x -0.3379577E-15 GRAD(Rho)y -0.2441175E-15 GRAD(Rho)z 0.6712730E-16 Laplacian 0.1220254E+00 (-1/4)Del**2(Rho)) -0.3050636E-01 Diamond 0.2163638E-01 Metallicity 0.1612215E+01 Ellipticity -0.7269827E+01 Gb(Abramov) 0.2853471E-01 Vb(Abramov) -0.2656305E-01 Hb(Abramov) 0.1971654E-02 Ex_ueg -0.6805496E-02 Ec_ueg -0.1330257E-02 Delta_ex -0.8069150E-02 Delta_ec 0.2280459E-02 Delta_et -0.2096989E-01 Pxc 0.5115925E+01 Qxc -0.3538388E+01 3,+1 82 3 +3 -2.314058 -0.030702 -0.013223 Rho 0.4963942E-02 |GRAD(Rho)| 0.4008485E-17 GRAD(Rho)x -0.1697299E-17 GRAD(Rho)y -0.3630514E-17 GRAD(Rho)z -0.8055090E-19 Laplacian 0.2061767E-01 (-1/4)Del**2(Rho)) -0.5154418E-02 Diamond 0.2051877E-03 Metallicity 0.4827823E+00 Ellipticity -0.3158804E+00 Gb(Abramov) 0.3851022E-02 Vb(Abramov) -0.2547627E-02 Hb(Abramov) 0.1303396E-02 Ex_ueg -0.6253943E-03 Ec_ueg -0.1453614E-03 Delta_ex -0.7696146E-03 Delta_ec 0.1956585E-03 Delta_et -0.1243809E-02 Pxc 0.4302341E+01 Qxc -0.3933459E+01 3,+3 83 3 +3 1.086815 1.103498 1.146998 Rho 0.5128837E-02 |GRAD(Rho)| 0.6352603E-14 GRAD(Rho)x 0.1400607E-14 GRAD(Rho)y -0.1530275E-14 GRAD(Rho)z -0.6004342E-14 Laplacian 0.1975231E-01 (-1/4)Del**2(Rho)) -0.4938078E-02 Diamond 0.1421485E-03 Metallicity 0.5321409E+00 Ellipticity -0.6290373E-01 Gb(Abramov) 0.3730011E-02 Vb(Abramov) -0.2521944E-02 Hb(Abramov) 0.1208067E-02 Ex_ueg -0.6532462E-03 Ec_ueg -0.1524614E-03 Delta_ex -0.6866580E-03 Delta_ec 0.8591809E-04 Delta_et -0.6862920E-03 Pxc 0.4284667E+01 Qxc -0.7992008E+01 3,+3 84 3 -1 -0.867221 -1.968814 -3.033745 Rho 0.1333252E+00 |GRAD(Rho)| 0.4718160E-13 GRAD(Rho)x 0.4549006E-13 GRAD(Rho)y 0.1204889E-13 GRAD(Rho)z 0.3403250E-14 Laplacian 0.5231964E+00 (-1/4)Del**2(Rho)) -0.1307991E+00 Diamond 0.9131113E+00 Metallicity 0.4582847E+01 Ellipticity 0.5132199E-01 Gb(Abramov) 0.1871048E+00 Vb(Abramov) -0.2434104E+00 Hb(Abramov) -0.5630567E-01 Ex_ueg -0.5030385E-01 Ec_ueg -0.7384789E-02 Delta_ex -0.5451071E-01 Delta_ec 0.1351275E-01 Delta_et -0.1764620E+00 Pxc 0.6811820E+01 Qxc -0.4034021E+01 3,-1 85 3 -1 -2.014716 -0.851819 -2.996059 Rho 0.1438040E+00 |GRAD(Rho)| 0.5216285E-13 GRAD(Rho)x 0.4182645E-13 GRAD(Rho)y -0.2291659E-13 GRAD(Rho)z 0.2112679E-13 Laplacian 0.5632479E+00 (-1/4)Del**2(Rho)) -0.1408120E+00 Diamond 0.1092340E+01 Metallicity 0.4829087E+01 Ellipticity 0.3442403E-01 Gb(Abramov) 0.2072069E+00 Vb(Abramov) -0.2736018E+00 Hb(Abramov) -0.6639489E-01 Ex_ueg -0.5564330E-01 Ec_ueg -0.8048066E-02 Delta_ex -0.5994233E-01 Delta_ec 0.1457809E-01 Delta_et -0.1931968E+00 Pxc 0.6913872E+01 Qxc -0.4111809E+01 3,-1 86 3 -1 -1.843542 -0.530176 2.766942 Rho 0.1319849E+00 |GRAD(Rho)| 0.2103675E-15 GRAD(Rho)x -0.2450297E-16 GRAD(Rho)y -0.1932590E-15 GRAD(Rho)z 0.7940426E-16 Laplacian 0.5517013E+00 (-1/4)Del**2(Rho)) -0.1379253E+00 Diamond 0.9632518E+00 Metallicity 0.4273491E+01 Ellipticity 0.1504441E-01 Gb(Abramov) 0.1901873E+00 Vb(Abramov) -0.2424493E+00 Hb(Abramov) -0.5226198E-01 Ex_ueg -0.4963072E-01 Ec_ueg -0.7300463E-02 Delta_ex -0.5748189E-01 Delta_ec 0.1453707E-01 Delta_et -0.1900265E+00 Pxc 0.6798297E+01 Qxc -0.3954159E+01 3,-1 87 3 -1 -1.814173 0.550045 -2.763783 Rho 0.1393987E+00 |GRAD(Rho)| 0.2341087E-15 GRAD(Rho)x -0.1021861E-15 GRAD(Rho)y -0.1967962E-15 GRAD(Rho)z 0.7507422E-16 Laplacian 0.5891935E+00 (-1/4)Del**2(Rho)) -0.1472984E+00 Diamond 0.1095419E+01 Metallicity 0.4383153E+01 Ellipticity 0.8129047E-02 Gb(Abramov) 0.2058041E+00 Vb(Abramov) -0.2643099E+00 Hb(Abramov) -0.5850575E-01 Ex_ueg -0.5338224E-01 Ec_ueg -0.7768373E-02 Delta_ex -0.6217195E-01 Delta_ec 0.1526114E-01 Delta_et -0.2010870E+00 Pxc 0.6871740E+01 Qxc -0.4073874E+01 3,-1 88 3 +1 -1.103999 1.368016 2.152514 Rho 0.2744706E-01 |GRAD(Rho)| 0.1456516E-14 GRAD(Rho)x 0.1056176E-15 GRAD(Rho)y 0.6391450E-15 GRAD(Rho)z 0.1304522E-14 Laplacian 0.1100278E+00 (-1/4)Del**2(Rho)) -0.2750696E-01 Diamond 0.1682313E-01 Metallicity 0.1564121E+01 Ellipticity -0.4463777E+01 Gb(Abramov) 0.2550867E-01 Vb(Abramov) -0.2351039E-01 Hb(Abramov) 0.1998283E-02 Ex_ueg -0.6114762E-02 Ec_ueg -0.1212692E-02 Delta_ex -0.7060388E-02 Delta_ec 0.1945466E-02 Delta_et -0.1755392E-01 Pxc 0.5042304E+01 Qxc -0.3629150E+01 3,+1 89 3 +1 -1.096143 -1.356520 -2.188861 Rho 0.2759619E-01 |GRAD(Rho)| 0.2826114E-16 GRAD(Rho)x 0.1666346E-16 GRAD(Rho)y -0.1747285E-16 GRAD(Rho)z 0.1468742E-16 Laplacian 0.1108241E+00 (-1/4)Del**2(Rho)) -0.2770601E-01 Diamond 0.1644647E-01 Metallicity 0.1566971E+01 Ellipticity -0.3610306E+01 Gb(Abramov) 0.2570643E-01 Vb(Abramov) -0.2370685E-01 Hb(Abramov) 0.1999582E-02 Ex_ueg -0.6159101E-02 Ec_ueg -0.1220296E-02 Delta_ex -0.7062255E-02 Delta_ec 0.1853268E-02 Delta_et -0.1676031E-01 Pxc 0.5047217E+01 Qxc -0.3810705E+01 3,+1 90 3 +1 -0.167623 -0.180963 -2.878974 Rho 0.5379993E-02 |GRAD(Rho)| 0.5928912E-16 GRAD(Rho)x -0.3658977E-16 GRAD(Rho)y -0.4302275E-16 GRAD(Rho)z 0.1803973E-16 Laplacian 0.2223508E-01 (-1/4)Del**2(Rho)) -0.5558769E-02 Diamond 0.5497446E-03 Metallicity 0.5119302E+00 Ellipticity -0.2756541E+01 Gb(Abramov) 0.4180130E-02 Vb(Abramov) -0.2801490E-02 Hb(Abramov) 0.1378639E-02 Ex_ueg -0.6962428E-03 Ec_ueg -0.1633019E-03 Delta_ex -0.1102422E-02 Delta_ec 0.6664120E-03 Delta_et -0.3713137E-02 Pxc 0.4263530E+01 Qxc -0.1654265E+01 3,+1 91 3 +1 -1.723195 1.727876 -1.741339 Rho 0.1262527E-01 |GRAD(Rho)| 0.3130976E-13 GRAD(Rho)x -0.9180668E-14 GRAD(Rho)y -0.2478813E-13 GRAD(Rho)z -0.1677990E-13 Laplacian 0.6400733E-01 (-1/4)Del**2(Rho)) -0.1600183E-01 Diamond 0.2734019E-02 Metallicity 0.7369724E+00 Ellipticity -0.1254248E+01 Gb(Abramov) 0.1263337E-01 Vb(Abramov) -0.9264914E-02 Hb(Abramov) 0.3368459E-02 Ex_ueg -0.2171231E-02 Ec_ueg -0.4885101E-03 Delta_ex -0.3184479E-02 Delta_ec 0.8231630E-03 Delta_et -0.6255035E-02 Pxc 0.4444598E+01 Qxc -0.3868589E+01 3,+1 92 3 +3 -1.083706 1.102101 -1.132901 Rho 0.5489230E-02 |GRAD(Rho)| 0.1847493E-15 GRAD(Rho)x 0.1765483E-15 GRAD(Rho)y 0.3147522E-16 GRAD(Rho)z 0.4441082E-16 Laplacian 0.2192186E-01 (-1/4)Del**2(Rho)) -0.5480465E-02 Diamond 0.1726356E-03 Metallicity 0.5369347E+00 Ellipticity -0.1395756E+00 Gb(Abramov) 0.4144085E-02 Vb(Abramov) -0.2807706E-02 Hb(Abramov) 0.1336380E-02 Ex_ueg -0.7151552E-03 Ec_ueg -0.1680267E-03 Delta_ex -0.7762208E-03 Delta_ec 0.9458122E-04 Delta_et -0.7663457E-03 Pxc 0.4256199E+01 Qxc -0.8206923E+01 3,+3 93 3 -1 -2.032767 0.863183 2.965975 Rho 0.1377853E+00 |GRAD(Rho)| 0.3189889E-13 GRAD(Rho)x 0.1213439E-14 GRAD(Rho)y 0.2961628E-13 GRAD(Rho)z 0.1178740E-13 Laplacian 0.5410518E+00 (-1/4)Del**2(Rho)) -0.1352630E+00 Diamond 0.9955059E+00 Metallicity 0.4681437E+01 Ellipticity 0.2848529E-01 Gb(Abramov) 0.1957128E+00 Vb(Abramov) -0.2561627E+00 Hb(Abramov) -0.6044985E-01 Ex_ueg -0.5256004E-01 Ec_ueg -0.7666244E-02 Delta_ex -0.5697042E-01 Delta_ec 0.1412476E-01 Delta_et -0.1859266E+00 Pxc 0.6856035E+01 Qxc -0.4033373E+01 3,-1 94 3 -1 -1.767001 0.556550 1.693895 Rho 0.4546046E-01 |GRAD(Rho)| 0.3261097E-13 GRAD(Rho)x 0.2165741E-13 GRAD(Rho)y 0.1647453E-13 GRAD(Rho)z -0.1797281E-13 Laplacian 0.1846618E+00 (-1/4)Del**2(Rho)) -0.4616546E-01 Diamond 0.8117301E-01 Metallicity 0.2160855E+01 Ellipticity 0.1152712E-01 Gb(Abramov) 0.4740312E-01 Vb(Abramov) -0.4864078E-01 Hb(Abramov) -0.1237661E-02 Ex_ueg -0.1198294E-01 Ec_ueg -0.2165525E-02 Delta_ex -0.1478865E-01 Delta_ec 0.5412089E-02 Delta_et -0.5563893E-01 Pxc 0.5533504E+01 Qxc -0.2732521E+01 3,-1 95 3 -1 -1.697778 1.749407 0.516757 Rho 0.5828707E-01 |GRAD(Rho)| 0.4840415E-13 GRAD(Rho)x -0.3111417E-13 GRAD(Rho)y 0.3363707E-13 GRAD(Rho)z -0.1560186E-13 Laplacian 0.2376695E+00 (-1/4)Del**2(Rho)) -0.5941738E-01 Diamond 0.1443979E+00 Metallicity 0.2540544E+01 Ellipticity 0.1955297E-01 Gb(Abramov) 0.6477033E-01 Vb(Abramov) -0.7012328E-01 Hb(Abramov) -0.5352950E-02 Ex_ueg -0.1669096E-01 Ec_ueg -0.2877827E-02 Delta_ex -0.2019678E-01 Delta_ec 0.6821697E-02 Delta_et -0.7472698E-01 Pxc 0.5799848E+01 Qxc -0.2960669E+01 3,-1 96 3 -1 -1.768663 -2.780688 0.561429 Rho 0.1437246E+00 |GRAD(Rho)| 0.7519706E-13 GRAD(Rho)x -0.5511090E-13 GRAD(Rho)y 0.8188667E-14 GRAD(Rho)z -0.5050081E-13 Laplacian 0.6025034E+00 (-1/4)Del**2(Rho)) -0.1506259E+00 Diamond 0.1158931E+01 Metallicity 0.4510301E+01 Ellipticity 0.1311190E-01 Gb(Abramov) 0.2136452E+00 Vb(Abramov) -0.2766646E+00 Hb(Abramov) -0.6301938E-01 Ex_ueg -0.5560236E-01 Ec_ueg -0.8043017E-02 Delta_ex -0.6401893E-01 Delta_ec 0.1543118E-01 Delta_et -0.2041315E+00 Pxc 0.6913123E+01 Qxc -0.4148673E+01 3,-1 97 3 -1 -1.954112 -2.999778 -0.872910 Rho 0.1505741E+00 |GRAD(Rho)| 0.7096943E-16 GRAD(Rho)x -0.5959046E-16 GRAD(Rho)y -0.3819102E-16 GRAD(Rho)z -0.5204170E-17 Laplacian 0.5918265E+00 (-1/4)Del**2(Rho)) -0.1479566E+00 Diamond 0.1209042E+01 Metallicity 0.4962144E+01 Ellipticity 0.4550229E-01 Gb(Abramov) 0.2210014E+00 Vb(Abramov) -0.2940462E+00 Hb(Abramov) -0.7304480E-01 Ex_ueg -0.5916327E-01 Ec_ueg -0.8480277E-02 Delta_ex -0.6365784E-01 Delta_ec 0.1507590E-01 Delta_et -0.2009684E+00 Pxc 0.6976574E+01 Qxc -0.4222491E+01 3,-1 98 3 +1 -0.151617 -2.902711 -0.180005 Rho 0.5260770E-02 |GRAD(Rho)| 0.1795478E-16 GRAD(Rho)x -0.1365726E-16 GRAD(Rho)y -0.1295945E-17 GRAD(Rho)z -0.1158335E-16 Laplacian 0.2160885E-01 (-1/4)Del**2(Rho)) -0.5402212E-02 Diamond 0.5190657E-03 Metallicity 0.5074545E+00 Ellipticity -0.2646173E+01 Gb(Abramov) 0.4058371E-02 Vb(Abramov) -0.2714530E-02 Hb(Abramov) 0.1343841E-02 Ex_ueg -0.6757471E-03 Ec_ueg -0.1581520E-03 Delta_ex -0.1067210E-02 Delta_ec 0.6486818E-03 Delta_et -0.3589823E-02 Pxc 0.4272769E+01 Qxc -0.1645198E+01 3,+1 99 3 -1 -1.705672 -1.735091 -0.547137 Rho 0.4803710E-01 |GRAD(Rho)| 0.6156632E-16 GRAD(Rho)x -0.1291979E-16 GRAD(Rho)y 0.3316176E-16 GRAD(Rho)z -0.5023731E-16 Laplacian 0.1966389E+00 (-1/4)Del**2(Rho)) -0.4915973E-01 Diamond 0.9335210E-01 Metallicity 0.2224530E+01 Ellipticity 0.1257049E-01 Gb(Abramov) 0.5099937E-01 Vb(Abramov) -0.5283902E-01 Hb(Abramov) -0.1839643E-02 Ex_ueg -0.1289696E-01 Ec_ueg -0.2306663E-02 Delta_ex -0.1597605E-01 Delta_ec 0.5775782E-02 Delta_et -0.6024759E-01 Pxc 0.5591178E+01 Qxc -0.2766042E+01 3,-1 100 3 -1 -1.747891 2.766791 -0.567829 Rho 0.1668668E+00 |GRAD(Rho)| 0.1080210E-14 GRAD(Rho)x 0.9213008E-15 GRAD(Rho)y -0.4734237E-15 GRAD(Rho)z 0.3064768E-15 Laplacian 0.6995474E+00 (-1/4)Del**2(Rho)) -0.1748868E+00 Diamond 0.1591702E+01 Metallicity 0.4982104E+01 Ellipticity 0.1810278E-01 Gb(Abramov) 0.2618086E+00 Vb(Abramov) -0.3487304E+00 Hb(Abramov) -0.8692179E-01 Ex_ueg -0.6784926E-01 Ec_ueg -0.9531838E-02 Delta_ex -0.7696451E-01 Delta_ec 0.1697747E-01 Delta_et -0.2283406E+00 Pxc 0.7118172E+01 Qxc -0.4533332E+01 3,-1 101 3 -1 -0.033423 2.898980 0.026120 Rho 0.5770233E-02 |GRAD(Rho)| 0.3692993E-17 GRAD(Rho)x -0.3123825E-17 GRAD(Rho)y -0.8909318E-18 GRAD(Rho)z -0.1756745E-17 Laplacian 0.2344241E-01 (-1/4)Del**2(Rho)) -0.5860602E-02 Diamond 0.7679268E-03 Metallicity 0.5456739E+00 Ellipticity 0.2380288E+01 Gb(Abramov) 0.4440064E-02 Vb(Abramov) -0.3019526E-02 Hb(Abramov) 0.1420538E-02 Ex_ueg -0.7643804E-03 Ec_ueg -0.1802082E-03 Delta_ex -0.1279160E-02 Delta_ec 0.8820896E-03 Delta_et -0.4943682E-02 Pxc 0.4241652E+01 Qxc -0.1450148E+01 3,-1 102 3 -1 -1.954049 2.985834 0.845693 Rho 0.1802619E+00 |GRAD(Rho)| 0.7210473E-15 GRAD(Rho)x -0.1466926E-15 GRAD(Rho)y -0.3053655E-15 GRAD(Rho)z -0.6365080E-15 Laplacian 0.7037145E+00 (-1/4)Del**2(Rho)) -0.1759286E+00 Diamond 0.1764841E+01 Metallicity 0.5632786E+01 Ellipticity 0.4434997E-01 Gb(Abramov) 0.2824471E+00 Vb(Abramov) -0.3889656E+00 Hb(Abramov) -0.1065185E+00 Ex_ueg -0.7520678E-01 Ec_ueg -0.1040811E-01 Delta_ex -0.7900305E-01 Delta_ec 0.1684862E-01 Delta_et -0.2288332E+00 Pxc 0.7225790E+01 Qxc -0.4688993E+01 3,-1 103 3 +1 2.173294 1.115231 -1.340362 Rho 0.2820262E-01 |GRAD(Rho)| 0.3804596E-16 GRAD(Rho)x -0.1831190E-16 GRAD(Rho)y -0.1121806E-16 GRAD(Rho)z -0.3140581E-16 Laplacian 0.1145742E+00 (-1/4)Del**2(Rho)) -0.2864355E-01 Diamond 0.1836978E-01 Metallicity 0.1571600E+01 Ellipticity -0.4862825E+01 Gb(Abramov) 0.2659840E-01 Vb(Abramov) -0.2455325E-01 Hb(Abramov) 0.2045149E-02 Ex_ueg -0.6340219E-02 Ec_ueg -0.1251274E-02 Delta_ex -0.7422716E-02 Delta_ec 0.2056278E-02 Delta_et -0.1867292E-01 Pxc 0.5067010E+01 Qxc -0.3609783E+01 3,+1 104 3 +1 -0.177245 2.888903 0.177498 Rho 0.5738499E-02 |GRAD(Rho)| 0.2967058E-17 GRAD(Rho)x -0.2794711E-17 GRAD(Rho)y -0.5883161E-18 GRAD(Rho)z -0.8043090E-18 Laplacian 0.2406320E-01 (-1/4)Del**2(Rho)) -0.6015799E-02 Diamond 0.6486688E-03 Metallicity 0.5267329E+00 Ellipticity -0.2806340E+01 Gb(Abramov) 0.4538653E-02 Vb(Abramov) -0.3061506E-02 Hb(Abramov) 0.1477147E-02 Ex_ueg -0.7587805E-03 Ec_ueg -0.1788306E-03 Delta_ex -0.1208324E-02 Delta_ec 0.7208839E-03 Delta_et -0.4094764E-02 Pxc 0.4243013E+01 Qxc -0.1676170E+01 3,+1 105 3 +1 0.547042 -0.521697 -1.669988 Rho 0.8699702E-02 |GRAD(Rho)| 0.4691419E-17 GRAD(Rho)x 0.2100480E-17 GRAD(Rho)y -0.6873540E-19 GRAD(Rho)z -0.4194362E-17 Laplacian 0.3367442E-01 (-1/4)Del**2(Rho)) -0.8418605E-02 Diamond 0.9381320E-03 Metallicity 0.7530440E+00 Ellipticity -0.1488514E+01 Gb(Abramov) 0.6669000E-02 Vb(Abramov) -0.4919395E-02 Hb(Abramov) 0.1749605E-02 Ex_ueg -0.1321471E-02 Ec_ueg -0.3094433E-03 Delta_ex -0.1552945E-02 Delta_ec 0.4918302E-03 Delta_et -0.3357060E-02 Pxc 0.4270478E+01 Qxc -0.3157482E+01 3,+1 106 3 -1 -0.831674 -2.962886 -2.036477 Rho 0.1226228E+00 |GRAD(Rho)| 0.1873036E-15 GRAD(Rho)x -0.1502704E-15 GRAD(Rho)y -0.1118083E-15 GRAD(Rho)z -0.5624299E-18 Laplacian 0.4783957E+00 (-1/4)Del**2(Rho)) -0.1195989E+00 Diamond 0.7550949E+00 Metallicity 0.4359581E+01 Ellipticity 0.3484344E-01 Gb(Abramov) 0.1666328E+00 Vb(Abramov) -0.2136667E+00 Hb(Abramov) -0.4703388E-01 Ex_ueg -0.4499319E-01 Ec_ueg -0.6714775E-02 Delta_ex -0.4884806E-01 Delta_ec 0.1260630E-01 Delta_et -0.1624031E+00 Pxc 0.6700625E+01 Qxc -0.3874892E+01 3,-1 107 3 -1 0.015444 -2.903351 -0.008080 Rho 0.5300215E-02 |GRAD(Rho)| 0.5821530E-15 GRAD(Rho)x 0.2713385E-16 GRAD(Rho)y 0.5802015E-15 GRAD(Rho)z 0.3914145E-16 Laplacian 0.2117640E-01 (-1/4)Del**2(Rho)) -0.5294101E-02 Diamond 0.6229718E-03 Metallicity 0.5243043E+00 Ellipticity 0.2598001E+01 Gb(Abramov) 0.3992021E-02 Vb(Abramov) -0.2689940E-02 Hb(Abramov) 0.1302080E-02 Ex_ueg -0.6825111E-03 Ec_ueg -0.1598551E-03 Delta_ex -0.1141176E-02 Delta_ec 0.8031309E-03 Delta_et -0.4383949E-02 Pxc 0.4269562E+01 Qxc -0.1420909E+01 3,-1 108 3 -1 -0.558070 -2.737283 1.840121 Rho 0.1293541E+00 |GRAD(Rho)| 0.2680833E-15 GRAD(Rho)x -0.1386491E-15 GRAD(Rho)y -0.1745565E-16 GRAD(Rho)z -0.2287802E-15 Laplacian 0.5430883E+00 (-1/4)Del**2(Rho)) -0.1357721E+00 Diamond 0.9096334E+00 Metallicity 0.4198005E+01 Ellipticity 0.6131383E-02 Gb(Abramov) 0.1855100E+00 Vb(Abramov) -0.2352480E+00 Hb(Abramov) -0.4973794E-01 Ex_ueg -0.4831610E-01 Ec_ueg -0.7135289E-02 Delta_ex -0.5611755E-01 Delta_ec 0.1403413E-01 Delta_et -0.1822177E+00 Pxc 0.6771429E+01 Qxc -0.3998648E+01 3,-1 109 3 +1 -1.041041 -2.150913 -1.429286 Rho 0.2792126E-01 |GRAD(Rho)| 0.2227971E-14 GRAD(Rho)x 0.9811719E-15 GRAD(Rho)y -0.1130994E-14 GRAD(Rho)z -0.1649852E-14 Laplacian 0.1121311E+00 (-1/4)Del**2(Rho)) -0.2803276E-01 Diamond 0.1636106E-01 Metallicity 0.1579231E+01 Ellipticity -0.3129992E+01 Gb(Abramov) 0.2606688E-01 Vb(Abramov) -0.2410099E-01 Hb(Abramov) 0.1965885E-02 Ex_ueg -0.6256026E-02 Ec_ueg -0.1236891E-02 Delta_ex -0.7116567E-02 Delta_ec 0.1783069E-02 Delta_et -0.1618455E-01 Pxc 0.5057864E+01 Qxc -0.3991191E+01 3,+1 110 3 -1 -0.849455 1.965204 3.014959 Rho 0.1363580E+00 |GRAD(Rho)| 0.1225350E-15 GRAD(Rho)x 0.3609038E-16 GRAD(Rho)y 0.8572651E-16 GRAD(Rho)z 0.7977017E-16 Laplacian 0.5323789E+00 (-1/4)Del**2(Rho)) -0.1330947E+00 Diamond 0.9539569E+00 Metallicity 0.4675846E+01 Ellipticity 0.5144315E-01 Gb(Abramov) 0.1924516E+00 Vb(Abramov) -0.2518084E+00 Hb(Abramov) -0.5935683E-01 Ex_ueg -0.5183535E-01 Ec_ueg -0.7576036E-02 Delta_ex -0.5576412E-01 Delta_ec 0.1366241E-01 Delta_et -0.1790105E+00 Pxc 0.6842014E+01 Qxc -0.4081574E+01 3,-1 111 3 +1 1.439333 1.035695 -2.166768 Rho 0.2718582E-01 |GRAD(Rho)| 0.3200344E-15 GRAD(Rho)x 0.1904961E-16 GRAD(Rho)y -0.2937412E-15 GRAD(Rho)z -0.1255994E-15 Laplacian 0.1077597E+00 (-1/4)Del**2(Rho)) -0.2693992E-01 Diamond 0.1448792E-01 Metallicity 0.1571789E+01 Ellipticity -0.2687642E+01 Gb(Abramov) 0.2501726E-01 Vb(Abramov) -0.2309459E-01 Hb(Abramov) 0.1922663E-02 Ex_ueg -0.6037283E-02 Ec_ueg -0.1199384E-02 Delta_ex -0.6725021E-02 Delta_ec 0.1597930E-02 Delta_et -0.1443456E-01 Pxc 0.5033653E+01 Qxc -0.4208583E+01 3,+1 112 3 +3 0.026051 0.004305 -2.325459 Rho 0.4738217E-02 |GRAD(Rho)| 0.1397054E-10 GRAD(Rho)x -0.9000758E-11 GRAD(Rho)y 0.9174801E-11 GRAD(Rho)z 0.5475890E-11 Laplacian 0.1932584E-01 (-1/4)Del**2(Rho)) -0.4831461E-02 Diamond 0.1812624E-03 Metallicity 0.4766134E+00 Ellipticity -0.3151371E+00 Gb(Abramov) 0.3604764E-02 Vb(Abramov) -0.2378067E-02 Hb(Abramov) 0.1226697E-02 Ex_ueg -0.5877667E-03 Ec_ueg -0.1356647E-03 Delta_ex -0.7135661E-03 Delta_ec 0.1846661E-03 Delta_et -0.1159150E-02 Pxc 0.4332497E+01 Qxc -0.3864089E+01 3,+3 113 3 +1 -0.973824 2.162963 1.491517 Rho 0.2724013E-01 |GRAD(Rho)| 0.2158150E-16 GRAD(Rho)x -0.7439232E-18 GRAD(Rho)y -0.6724375E-17 GRAD(Rho)z -0.2049367E-16 Laplacian 0.1096341E+00 (-1/4)Del**2(Rho)) -0.2740854E-01 Diamond 0.1266969E-01 Metallicity 0.1550063E+01 Ellipticity -0.1907084E+01 Gb(Abramov) 0.2535318E-01 Vb(Abramov) -0.2329783E-01 Hb(Abramov) 0.2055353E-02 Ex_ueg -0.6053372E-02 Ec_ueg -0.1202150E-02 Delta_ex -0.6641267E-02 Delta_ec 0.1260655E-02 Delta_et -0.1146340E-01 Pxc 0.5035457E+01 Qxc -0.5268108E+01 3,+1 114 3 +1 1.214070 2.179024 -1.246407 Rho 0.2980756E-01 |GRAD(Rho)| 0.2660387E-10 GRAD(Rho)x -0.1933047E-10 GRAD(Rho)y -0.7446565E-11 GRAD(Rho)z -0.1669274E-10 Laplacian 0.1230061E+00 (-1/4)Del**2(Rho)) -0.3075153E-01 Diamond 0.2222361E-01 Metallicity 0.1605328E+01 Ellipticity -0.8903965E+01 Gb(Abramov) 0.2872874E-01 Vb(Abramov) -0.2670594E-01 Hb(Abramov) 0.2022795E-02 Ex_ueg -0.6825802E-02 Ec_ueg -0.1333685E-02 Delta_ex -0.8168577E-02 Delta_ec 0.2351884E-02 Delta_et -0.2163398E-01 Pxc 0.5118000E+01 Qxc -0.3473205E+01 3,+1 115 3 -1 -0.587654 -1.760216 2.807528 Rho 0.1420398E+00 |GRAD(Rho)| 0.2552794E-12 GRAD(Rho)x 0.1697793E-12 GRAD(Rho)y -0.1895354E-12 GRAD(Rho)z -0.2046734E-13 Laplacian 0.6016259E+00 (-1/4)Del**2(Rho)) -0.1504065E+00 Diamond 0.1123583E+01 Metallicity 0.4428974E+01 Ellipticity 0.2124463E-01 Gb(Abramov) 0.2112954E+00 Vb(Abramov) -0.2721843E+00 Hb(Abramov) -0.6088892E-01 Ex_ueg -0.5473498E-01 Ec_ueg -0.7935907E-02 Delta_ex -0.6355559E-01 Delta_ec 0.1512083E-01 Delta_et -0.1989706E+00 Pxc 0.6897129E+01 Qxc -0.4203182E+01 3,-1 116 3 +1 1.652932 0.538608 0.538581 Rho 0.8970069E-02 |GRAD(Rho)| 0.6371677E-14 GRAD(Rho)x -0.3336006E-14 GRAD(Rho)y -0.5362321E-14 GRAD(Rho)z 0.8454907E-15 Laplacian 0.3477333E-01 (-1/4)Del**2(Rho)) -0.8693332E-02 Diamond 0.9965927E-03 Metallicity 0.7674084E+00 Ellipticity -0.1484554E+01 Gb(Abramov) 0.6907444E-02 Vb(Abramov) -0.5121556E-02 Hb(Abramov) 0.1785888E-02 Ex_ueg -0.1376510E-02 Ec_ueg -0.3215683E-03 Delta_ex -0.1610333E-02 Delta_ec 0.4976827E-03 Delta_et -0.3431932E-02 Pxc 0.4280616E+01 Qxc -0.3235662E+01 3,+1 117 3 -1 -0.833136 2.948164 2.022244 Rho 0.9598168E-01 |GRAD(Rho)| 0.8940814E-16 GRAD(Rho)x -0.4902627E-17 GRAD(Rho)y -0.8489134E-16 GRAD(Rho)z 0.2762683E-16 Laplacian 0.3774873E+00 (-1/4)Del**2(Rho)) -0.9437184E-01 Diamond 0.4454235E+00 Metallicity 0.3673031E+01 Ellipticity 0.3281108E-01 Gb(Abramov) 0.1206863E+00 Vb(Abramov) -0.1470009E+00 Hb(Abramov) -0.2631451E-01 Ex_ueg -0.3245659E-01 Ec_ueg -0.5082286E-02 Delta_ex -0.3641328E-01 Delta_ec 0.1057628E-01 Delta_et -0.1302488E+00 Pxc 0.6386218E+01 Qxc -0.3442918E+01 3,-1 118 3 +1 0.522604 0.567197 1.675212 Rho 0.8140215E-02 |GRAD(Rho)| 0.1594629E-17 GRAD(Rho)x 0.2219623E-18 GRAD(Rho)y -0.1175396E-17 GRAD(Rho)z 0.1054523E-17 Laplacian 0.3104133E-01 (-1/4)Del**2(Rho)) -0.7760332E-02 Diamond 0.7897706E-03 Metallicity 0.7312502E+00 Ellipticity -0.1476995E+01 Gb(Abramov) 0.6119345E-02 Vb(Abramov) -0.4478359E-02 Hb(Abramov) 0.1640987E-02 Ex_ueg -0.1209390E-02 Ec_ueg -0.2844553E-03 Delta_ex -0.1407750E-02 Delta_ec 0.4532286E-03 Delta_et -0.3040699E-02 Pxc 0.4251599E+01 Qxc -0.3106049E+01 3,+1 119 3 -1 -0.470265 -0.464433 -0.482018 Rho 0.1873878E+00 |GRAD(Rho)| 0.1969351E-15 GRAD(Rho)x 0.1283695E-15 GRAD(Rho)y -0.6938894E-17 GRAD(Rho)z -0.1491862E-15 Laplacian 0.5211011E+00 (-1/4)Del**2(Rho)) -0.1302753E+00 Diamond 0.1405953E+01 Metallicity 0.8114471E+01 Ellipticity 0.3106656E-02 Gb(Abramov) 0.2630360E+00 Vb(Abramov) -0.3957967E+00 Hb(Abramov) -0.1327607E+00 Ex_ueg -0.7919667E-01 Ec_ueg -0.1087847E-01 Delta_ex -0.5935052E-01 Delta_ec 0.1283445E-01 Delta_et -0.1765239E+00 Pxc 0.7280129E+01 Qxc -0.4624313E+01 3,-1 120 3 -1 -0.480787 0.483085 0.448362 Rho 0.1818137E+00 |GRAD(Rho)| 0.3008233E-15 GRAD(Rho)x 0.2324529E-15 GRAD(Rho)y -0.1734723E-15 GRAD(Rho)z -0.7979728E-16 Laplacian 0.4926860E+00 (-1/4)Del**2(Rho)) -0.1231715E+00 Diamond 0.1286189E+01 Metallicity 0.8161198E+01 Ellipticity 0.1074515E-01 Gb(Abramov) 0.2496522E+00 Vb(Abramov) -0.3761328E+00 Hb(Abramov) -0.1264807E+00 Ex_ueg -0.7607124E-01 Ec_ueg -0.1051029E-01 Delta_ex -0.5572290E-01 Delta_ec 0.1228948E-01 Delta_et -0.1686476E+00 Pxc 0.7237788E+01 Qxc -0.4534197E+01 3,-1 121 3 +1 0.196243 -2.892894 0.178328 Rho 0.5252121E-02 |GRAD(Rho)| 0.1034088E-16 GRAD(Rho)x 0.1005245E-16 GRAD(Rho)y 0.1478996E-17 GRAD(Rho)z -0.1922131E-17 Laplacian 0.2169115E-01 (-1/4)Del**2(Rho)) -0.5422787E-02 Diamond 0.5145104E-03 Metallicity 0.5041447E+00 Ellipticity -0.2504143E+01 Gb(Abramov) 0.4070836E-02 Vb(Abramov) -0.2718885E-02 Hb(Abramov) 0.1351951E-02 Ex_ueg -0.6742662E-03 Ec_ueg -0.1577787E-03 Delta_ex -0.1066247E-02 Delta_ec 0.6427990E-03 Delta_et -0.3559044E-02 Pxc 0.4273493E+01 Qxc -0.1658757E+01 3,+1 122 3 -1 -0.087907 -3.126783 3.247714 Rho 0.2439624E+00 |GRAD(Rho)| 0.1065484E-12 GRAD(Rho)x 0.1947197E-13 GRAD(Rho)y 0.7321129E-13 GRAD(Rho)z -0.7492336E-13 Laplacian 0.8708511E+00 (-1/4)Del**2(Rho)) -0.2177128E+00 Diamond 0.3156778E+01 Metallicity 0.7537156E+01 Ellipticity 0.6975876E-03 Gb(Abramov) 0.4186311E+00 Vb(Abramov) -0.6195493E+00 Hb(Abramov) -0.2009183E+00 Ex_ueg -0.1125855E+00 Ec_ueg -0.1471346E-01 Delta_ex -0.1057487E+00 Delta_ec 0.1928856E-01 Delta_et -0.2679698E+00 Pxc 0.7651872E+01 Qxc -0.5482459E+01 3,-1 123 3 -1 0.066365 -3.152082 -3.267079 Rho 0.2444550E+00 |GRAD(Rho)| 0.1932944E-13 GRAD(Rho)x 0.8684974E-14 GRAD(Rho)y 0.1706361E-13 GRAD(Rho)z 0.2651742E-14 Laplacian 0.8679707E+00 (-1/4)Del**2(Rho)) -0.2169927E+00 Diamond 0.3157193E+01 Metallicity 0.7587631E+01 Ellipticity 0.4133200E-02 Gb(Abramov) 0.4190718E+00 Vb(Abramov) -0.6211510E+00 Hb(Abramov) -0.2020792E+00 Ex_ueg -0.1128886E+00 Ec_ueg -0.1474762E-01 Delta_ex -0.1054712E+00 Delta_ec 0.1924296E-01 Delta_et -0.2674874E+00 Pxc 0.7654704E+01 Qxc -0.5481026E+01 3,-1 124 3 +1 0.195842 -0.164704 2.914801 Rho 0.5098423E-02 |GRAD(Rho)| 0.1332696E-14 GRAD(Rho)x 0.1314202E-14 GRAD(Rho)y 0.2118763E-16 GRAD(Rho)z -0.2202373E-15 Laplacian 0.2116264E-01 (-1/4)Del**2(Rho)) -0.5290661E-02 Diamond 0.4664779E-03 Metallicity 0.4917787E+00 Ellipticity -0.2102715E+01 Gb(Abramov) 0.3960746E-02 Vb(Abramov) -0.2630832E-02 Hb(Abramov) 0.1329915E-02 Ex_ueg -0.6480864E-03 Ec_ueg -0.1511508E-03 Delta_ex -0.1019839E-02 Delta_ec 0.6015550E-03 Delta_et -0.3312284E-02 Pxc 0.4287681E+01 Qxc -0.1695338E+01 3,+1 125 3 -1 -0.523852 1.714497 1.756856 Rho 0.4047452E-01 |GRAD(Rho)| 0.3804133E-16 GRAD(Rho)x -0.1271799E-16 GRAD(Rho)y 0.3428959E-16 GRAD(Rho)z -0.1046996E-16 Laplacian 0.1688523E+00 (-1/4)Del**2(Rho)) -0.4221308E-01 Diamond 0.6572316E-01 Metallicity 0.1947193E+01 Ellipticity 0.3327225E-01 Gb(Abramov) 0.4184155E-01 Vb(Abramov) -0.4147002E-01 Hb(Abramov) 0.3715263E-03 Ex_ueg -0.1026346E-01 Ec_ueg -0.1895535E-02 Delta_ex -0.1326971E-01 Delta_ec 0.5192094E-02 Delta_et -0.5178349E-01 Pxc 0.5414546E+01 Qxc -0.2555752E+01 3,-1 126 3 -1 -0.546084 1.769029 -2.803214 Rho 0.1441846E+00 |GRAD(Rho)| 0.1412316E-11 GRAD(Rho)x 0.9625975E-12 GRAD(Rho)y 0.1002688E-11 GRAD(Rho)z 0.2503165E-12 Laplacian 0.6090129E+00 (-1/4)Del**2(Rho)) -0.1522532E+00 Diamond 0.1177111E+01 Metallicity 0.4485918E+01 Ellipticity 0.1062405E-01 Gb(Abramov) 0.2153347E+00 Vb(Abramov) -0.2784162E+00 Hb(Abramov) -0.6308149E-01 Ex_ueg -0.5583974E-01 Ec_ueg -0.8072287E-02 Delta_ex -0.6477329E-01 Delta_ec 0.1560731E-01 Delta_et -0.2066047E+00 Pxc 0.6917462E+01 Qxc -0.4150189E+01 3,-1 127 3 +1 1.667628 -0.537292 -0.538321 Rho 0.8607934E-02 |GRAD(Rho)| 0.4902905E-16 GRAD(Rho)x -0.3102083E-16 GRAD(Rho)y -0.3289542E-17 GRAD(Rho)z 0.3782505E-16 Laplacian 0.3298978E-01 (-1/4)Del**2(Rho)) -0.8247445E-02 Diamond 0.9094244E-03 Metallicity 0.7552057E+00 Ellipticity -0.1501414E+01 Gb(Abramov) 0.6536383E-02 Vb(Abramov) -0.4825321E-02 Hb(Abramov) 0.1711062E-02 Ex_ueg -0.1302918E-02 Ec_ueg -0.3053351E-03 Delta_ex -0.1518914E-02 Delta_ec 0.4846809E-03 Delta_et -0.3296940E-02 Pxc 0.4267172E+01 Qxc -0.3133843E+01 3,+1 128 3 +1 2.881148 -0.172380 0.168509 Rho 0.5074751E-02 |GRAD(Rho)| 0.1196657E-16 GRAD(Rho)x 0.1149208E-17 GRAD(Rho)y -0.1465125E-17 GRAD(Rho)z 0.1182081E-16 Laplacian 0.2092918E-01 (-1/4)Del**2(Rho)) -0.5232294E-02 Diamond 0.4736671E-03 Metallicity 0.4934224E+00 Ellipticity -0.2417676E+01 Gb(Abramov) 0.3918484E-02 Vb(Abramov) -0.2604675E-02 Hb(Abramov) 0.1313809E-02 Ex_ueg -0.6440773E-03 Ec_ueg -0.1501310E-03 Delta_ex -0.1021499E-02 Delta_ec 0.6196489E-03 Delta_et -0.3396143E-02 Pxc 0.4290101E+01 Qxc -0.1648513E+01 3,+1 129 3 +1 0.193878 2.894682 -0.208777 Rho 0.5665123E-02 |GRAD(Rho)| 0.1024072E-16 GRAD(Rho)x -0.9172813E-17 GRAD(Rho)y 0.4869682E-18 GRAD(Rho)z -0.4527110E-17 Laplacian 0.2379564E-01 (-1/4)Del**2(Rho)) -0.5948909E-02 Diamond 0.5883895E-03 Metallicity 0.5213525E+00 Ellipticity -0.2088180E+01 Gb(Abramov) 0.4482852E-02 Vb(Abramov) -0.3016796E-02 Hb(Abramov) 0.1466057E-02 Ex_ueg -0.7458718E-03 Ec_ueg -0.1756471E-03 Delta_ex -0.1158758E-02 Delta_ec 0.6538467E-03 Delta_et -0.3724454E-02 Pxc 0.4246422E+01 Qxc -0.1772216E+01 3,+1 130 3 +1 1.747838 -1.761229 -1.745440 Rho 0.1183934E-01 |GRAD(Rho)| 0.1238578E-16 GRAD(Rho)x -0.4962820E-17 GRAD(Rho)y -0.8390138E-17 GRAD(Rho)z 0.7640908E-17 Laplacian 0.5951489E-01 (-1/4)Del**2(Rho)) -0.1487872E-01 Diamond 0.2355651E-02 Metallicity 0.7120874E+00 Ellipticity -0.1242128E+01 Gb(Abramov) 0.1168497E-01 Vb(Abramov) -0.8491225E-02 Hb(Abramov) 0.3193749E-02 Ex_ueg -0.1992913E-02 Ec_ueg -0.4521574E-03 Delta_ex -0.2919324E-02 Delta_ec 0.7801472E-03 Delta_et -0.5824622E-02 Pxc 0.4407564E+01 Qxc -0.3742017E+01 3,+1 131 3 -1 0.510322 -1.694738 1.758652 Rho 0.4375968E-01 |GRAD(Rho)| 0.2457655E-15 GRAD(Rho)x 0.1066101E-15 GRAD(Rho)y 0.1745529E-15 GRAD(Rho)z -0.1362580E-15 Laplacian 0.1844458E+00 (-1/4)Del**2(Rho)) -0.4611145E-01 Diamond 0.7998591E-01 Metallicity 0.2030180E+01 Ellipticity 0.1668253E-01 Gb(Abramov) 0.4634339E-01 Vb(Abramov) -0.4657533E-01 Hb(Abramov) -0.2319419E-03 Ex_ueg -0.1138895E-01 Ec_ueg -0.2072952E-02 Delta_ex -0.1478558E-01 Delta_ec 0.5683445E-02 Delta_et -0.5789250E-01 Pxc 0.5494075E+01 Qxc -0.2601517E+01 3,-1 132 3 -1 0.556831 2.751799 1.848595 Rho 0.1247803E+00 |GRAD(Rho)| 0.5006733E-15 GRAD(Rho)x -0.3850612E-15 GRAD(Rho)y -0.2534695E-15 GRAD(Rho)z 0.1953326E-15 Laplacian 0.5197508E+00 (-1/4)Del**2(Rho)) -0.1299377E+00 Diamond 0.8353231E+00 Metallicity 0.4131059E+01 Ellipticity 0.3047999E-02 Gb(Abramov) 0.1760885E+00 Vb(Abramov) -0.2222393E+00 Hb(Abramov) -0.4615082E-01 Ex_ueg -0.4605178E-01 Ec_ueg -0.6849223E-02 Delta_ex -0.5326249E-01 Delta_ec 0.1358445E-01 Delta_et -0.1754190E+00 Pxc 0.6723650E+01 Qxc -0.3920843E+01 3,-1 133 3 -1 0.083306 3.147342 3.256030 Rho 0.2443283E+00 |GRAD(Rho)| 0.2865803E-10 GRAD(Rho)x -0.4518245E-11 GRAD(Rho)y -0.2054133E-10 GRAD(Rho)z -0.1946592E-10 Laplacian 0.8645903E+00 (-1/4)Del**2(Rho)) -0.2161476E+00 Diamond 0.3147598E+01 Metallicity 0.7610719E+01 Ellipticity 0.2072964E-02 Gb(Abramov) 0.4182714E+00 Vb(Abramov) -0.6203953E+00 Hb(Abramov) -0.2021239E+00 Ex_ueg -0.1128106E+00 Ec_ueg -0.1473883E-01 Delta_ex -0.1050704E+00 Delta_ec 0.1921425E-01 Delta_et -0.2672774E+00 Pxc 0.7653976E+01 Qxc -0.5468360E+01 3,-1 134 3 -1 -0.036885 3.146085 -3.259986 Rho 0.2548766E+00 |GRAD(Rho)| 0.2885068E-15 GRAD(Rho)x 0.1511107E-15 GRAD(Rho)y -0.2436202E-15 GRAD(Rho)z -0.3241764E-16 Laplacian 0.9296725E+00 (-1/4)Del**2(Rho)) -0.2324181E+00 Diamond 0.3516463E+01 Metallicity 0.7594512E+01 Ellipticity 0.1317105E-02 Gb(Abramov) 0.4491291E+00 Vb(Abramov) -0.6658401E+00 Hb(Abramov) -0.2167110E+00 Ex_ueg -0.1193507E+00 Ec_ueg -0.1547355E-01 Delta_ex -0.1140172E+00 Delta_ec 0.2000728E-01 Delta_et -0.2767951E+00 Pxc 0.7713210E+01 Qxc -0.5698785E+01 3,-1 135 3 -1 0.467193 -0.464365 0.469243 Rho 0.1914637E+00 |GRAD(Rho)| 0.6274042E-15 GRAD(Rho)x -0.2289835E-15 GRAD(Rho)y 0.3295975E-15 GRAD(Rho)z -0.4822531E-15 Laplacian 0.5337959E+00 (-1/4)Del**2(Rho)) -0.1334490E+00 Diamond 0.1473514E+01 Metallicity 0.8210734E+01 Ellipticity 0.2924790E-02 Gb(Abramov) 0.2715850E+00 Vb(Abramov) -0.4097210E+00 Hb(Abramov) -0.1381360E+00 Ex_ueg -0.8150176E-01 Ec_ueg -0.1114881E-01 Delta_ex -0.6109534E-01 Delta_ec 0.1301603E-01 Delta_et -0.1792418E+00 Pxc 0.7310357E+01 Qxc -0.4693853E+01 3,-1 136 3 +1 0.189193 0.166514 -2.890093 Rho 0.5356471E-02 |GRAD(Rho)| 0.1466091E-14 GRAD(Rho)x 0.1448464E-14 GRAD(Rho)y 0.9623206E-16 GRAD(Rho)z 0.2052181E-15 Laplacian 0.2203383E-01 (-1/4)Del**2(Rho)) -0.5508459E-02 Diamond 0.5274793E-03 Metallicity 0.5128468E+00 Ellipticity -0.2428384E+01 Gb(Abramov) 0.4143138E-02 Vb(Abramov) -0.2777818E-02 Hb(Abramov) 0.1365320E-02 Ex_ueg -0.6921869E-03 Ec_ueg -0.1622853E-03 Delta_ex -0.1079562E-02 Delta_ec 0.6390740E-03 Delta_et -0.3565140E-02 Pxc 0.4265247E+01 Qxc -0.1689259E+01 3,+1 137 3 -1 0.471853 0.479920 -0.476350 Rho 0.1873223E+00 |GRAD(Rho)| 0.1881393E-11 GRAD(Rho)x -0.1050254E-11 GRAD(Rho)y -0.1150878E-11 GRAD(Rho)z 0.1054556E-11 Laplacian 0.5207546E+00 (-1/4)Del**2(Rho)) -0.1301886E+00 Diamond 0.1405360E+01 Metallicity 0.8115140E+01 Ellipticity 0.3102770E-02 Gb(Abramov) 0.2628756E+00 Vb(Abramov) -0.3955626E+00 Hb(Abramov) -0.1326870E+00 Ex_ueg -0.7915977E-01 Ec_ueg -0.1087414E-01 Delta_ex -0.5931274E-01 Delta_ec 0.1283942E-01 Delta_et -0.1766236E+00 Pxc 0.7279638E+01 Qxc -0.4619580E+01 3,-1 138 3 -1 0.553880 1.707117 -1.759621 Rho 0.4926711E-01 |GRAD(Rho)| 0.6622977E-12 GRAD(Rho)x 0.5328544E-12 GRAD(Rho)y 0.1003484E-12 GRAD(Rho)z -0.3803085E-12 Laplacian 0.2027340E+00 (-1/4)Del**2(Rho)) -0.5068351E-01 Diamond 0.9991467E-01 Metallicity 0.2250514E+01 Ellipticity 0.1203358E-01 Gb(Abramov) 0.5279966E-01 Vb(Abramov) -0.5491581E-01 Hb(Abramov) -0.2116151E-02 Ex_ueg -0.1333914E-01 Ec_ueg -0.2374403E-02 Delta_ex -0.1658985E-01 Delta_ec 0.5977431E-02 Delta_et -0.6277060E-01 Pxc 0.5617893E+01 Qxc -0.2775415E+01 3,-1 139 3 +3 0.010357 2.313868 -0.009666 Rho 0.4964756E-02 |GRAD(Rho)| 0.2401492E-17 GRAD(Rho)x -0.2171897E-18 GRAD(Rho)y -0.7142524E-18 GRAD(Rho)z -0.2282507E-17 Laplacian 0.2062762E-01 (-1/4)Del**2(Rho)) -0.5156905E-02 Diamond 0.2006141E-03 Metallicity 0.4826814E+00 Ellipticity -0.3041202E+00 Gb(Abramov) 0.3852793E-02 Vb(Abramov) -0.2548682E-02 Hb(Abramov) 0.1304111E-02 Ex_ueg -0.6255311E-03 Ec_ueg -0.1453964E-03 Delta_ex -0.7655956E-03 Delta_ec 0.1878565E-03 Delta_et -0.1204860E-02 Pxc 0.4302246E+01 Qxc -0.4075428E+01 3,+3 140 3 -1 0.557097 -2.771114 -1.860080 Rho 0.1171151E+00 |GRAD(Rho)| 0.2475697E-13 GRAD(Rho)x -0.2419232E-13 GRAD(Rho)y -0.5238784E-14 GRAD(Rho)z -0.4409247E-15 Laplacian 0.4872768E+00 (-1/4)Del**2(Rho)) -0.1218192E+00 Diamond 0.7293693E+00 Metallicity 0.3964535E+01 Ellipticity 0.7754355E-02 Gb(Abramov) 0.1617055E+00 Vb(Abramov) -0.2015919E+00 Hb(Abramov) -0.3988634E-01 Ex_ueg -0.4231902E-01 Ec_ueg -0.6373011E-02 Delta_ex -0.4923359E-01 Delta_ec 0.1301919E-01 Delta_et -0.1664629E+00 Pxc 0.6640349E+01 Qxc -0.3781617E+01 3,-1 141 3 -1 0.834885 -2.953950 2.039766 Rho 0.1141062E+00 |GRAD(Rho)| 0.1741577E-13 GRAD(Rho)x 0.8731853E-14 GRAD(Rho)y 0.5248270E-14 GRAD(Rho)z -0.1412513E-13 Laplacian 0.4444381E+00 (-1/4)Del**2(Rho)) -0.1111095E+00 Diamond 0.6466742E+00 Metallicity 0.4162147E+01 Ellipticity 0.2689170E-01 Gb(Abramov) 0.1511487E+00 Vb(Abramov) -0.1911879E+00 Hb(Abramov) -0.4003919E-01 Ex_ueg -0.4087560E-01 Ec_ueg -0.6187208E-02 Delta_ex -0.4465602E-01 Delta_ec 0.1199600E-01 Delta_et -0.1527469E+00 Pxc 0.6606469E+01 Qxc -0.3722578E+01 3,-1 142 3 -1 1.856902 -0.560213 -2.743501 Rho 0.1149115E+00 |GRAD(Rho)| 0.3672831E-13 GRAD(Rho)x 0.2891919E-13 GRAD(Rho)y 0.2190792E-13 GRAD(Rho)z 0.5717743E-14 Laplacian 0.4746200E+00 (-1/4)Del**2(Rho)) -0.1186550E+00 Diamond 0.6929822E+00 Metallicity 0.3943417E+01 Ellipticity 0.1115689E-01 Gb(Abramov) 0.1570877E+00 Vb(Abramov) -0.1955204E+00 Hb(Abramov) -0.3843269E-01 Ex_ueg -0.4126066E-01 Ec_ueg -0.6236869E-02 Delta_ex -0.4771883E-01 Delta_ec 0.1270170E-01 Delta_et -0.1618019E+00 Pxc 0.6615604E+01 Qxc -0.3756886E+01 3,-1 143 3 +1 1.106650 -2.163304 1.361064 Rho 0.2662421E-01 |GRAD(Rho)| 0.5596500E-16 GRAD(Rho)x -0.1558697E-16 GRAD(Rho)y 0.5327687E-16 GRAD(Rho)z -0.7120627E-17 Laplacian 0.1077719E+00 (-1/4)Del**2(Rho)) -0.2694297E-01 Diamond 0.1654715E-01 Metallicity 0.1517874E+01 Ellipticity -0.5899423E+01 Gb(Abramov) 0.2477798E-01 Vb(Abramov) -0.2261300E-01 Hb(Abramov) 0.2164984E-02 Ex_ueg -0.5871568E-02 Ec_ueg -0.1170834E-02 Delta_ex -0.6934097E-02 Delta_ec 0.2038405E-02 Delta_et -0.1823214E-01 Pxc 0.5014862E+01 Qxc -0.3401727E+01 3,+1 144 3 -1 0.849161 -1.948923 3.008551 Rho 0.1332089E+00 |GRAD(Rho)| 0.1638307E-13 GRAD(Rho)x 0.7987914E-14 GRAD(Rho)y 0.1292642E-13 GRAD(Rho)z -0.6124211E-14 Laplacian 0.5187291E+00 (-1/4)Del**2(Rho)) -0.1296823E+00 Diamond 0.9062494E+00 Metallicity 0.4615599E+01 Ellipticity 0.5129518E-01 Gb(Abramov) 0.1862151E+00 Vb(Abramov) -0.2427479E+00 Hb(Abramov) -0.5653280E-01 Ex_ueg -0.5024538E-01 Ec_ueg -0.7377471E-02 Delta_ex -0.5405581E-01 Delta_ec 0.1343943E-01 Delta_et -0.1755573E+00 Pxc 0.6810651E+01 Qxc -0.4022181E+01 3,-1 145 3 +1 1.726734 1.754091 1.760046 Rho 0.1199357E-01 |GRAD(Rho)| 0.6940326E-16 GRAD(Rho)x -0.2589094E-16 GRAD(Rho)y -0.2438021E-16 GRAD(Rho)z 0.5959930E-16 Laplacian 0.6015197E-01 (-1/4)Del**2(Rho)) -0.1503799E-01 Diamond 0.2417219E-02 Metallicity 0.7199087E+00 Ellipticity -0.1257963E+01 Gb(Abramov) 0.1182966E-01 Vb(Abramov) -0.8621326E-02 Hb(Abramov) 0.3208334E-02 Ex_ueg -0.2027604E-02 Ec_ueg -0.4592722E-03 Delta_ex -0.2958830E-02 Delta_ec 0.7852586E-03 Delta_et -0.5883910E-02 Pxc 0.4414819E+01 Qxc -0.3767968E+01 3,+1 146 3 -1 0.890920 1.949619 -3.035158 Rho 0.1638454E+00 |GRAD(Rho)| 0.3931339E-14 GRAD(Rho)x 0.3274724E-14 GRAD(Rho)y 0.1570657E-14 GRAD(Rho)z 0.1504873E-14 Laplacian 0.6399226E+00 (-1/4)Del**2(Rho)) -0.1599806E+00 Diamond 0.1445719E+01 Metallicity 0.5282948E+01 Ellipticity 0.5516303E-01 Gb(Abramov) 0.2475153E+00 Vb(Abramov) -0.3350500E+00 Hb(Abramov) -0.8753470E-01 Ex_ueg -0.6621620E-01 Ec_ueg -0.9335635E-02 Delta_ex -0.7027242E-01 Delta_ec 0.1594038E-01 Delta_et -0.2148320E+00 Pxc 0.7092844E+01 Qxc -0.4408453E+01 3,-1 147 3 -1 0.863035 2.967117 -2.031600 Rho 0.1397431E+00 |GRAD(Rho)| 0.1823972E-15 GRAD(Rho)x -0.1570060E-15 GRAD(Rho)y 0.5697482E-16 GRAD(Rho)z 0.7329207E-16 Laplacian 0.5489475E+00 (-1/4)Del**2(Rho)) -0.1372369E+00 Diamond 0.1027061E+01 Metallicity 0.4723886E+01 Ellipticity 0.3009142E-01 Gb(Abramov) 0.1995398E+00 Vb(Abramov) -0.2618428E+00 Hb(Abramov) -0.6230294E-01 Ex_ueg -0.5355813E-01 Ec_ueg -0.7790190E-02 Delta_ex -0.5799759E-01 Delta_ec 0.1427736E-01 Delta_et -0.1883340E+00 Pxc 0.6875073E+01 Qxc -0.4062207E+01 3,-1 148 3 -1 0.570848 -1.792250 -2.806565 Rho 0.1465112E+00 |GRAD(Rho)| 0.5106755E-13 GRAD(Rho)x 0.6198452E-14 GRAD(Rho)y 0.4391915E-13 GRAD(Rho)z 0.2530973E-13 Laplacian 0.6142357E+00 (-1/4)Del**2(Rho)) -0.1535589E+00 Diamond 0.1185404E+01 Metallicity 0.4568035E+01 Ellipticity 0.2684964E-01 Gb(Abramov) 0.2192830E+00 Vb(Abramov) -0.2850071E+00 Hb(Abramov) -0.6572411E-01 Ex_ueg -0.5704436E-01 Ec_ueg -0.8220555E-02 Delta_ex -0.6532983E-01 Delta_ec 0.1522322E-01 Delta_et -0.2009708E+00 Pxc 0.6939236E+01 Qxc -0.4291461E+01 3,-1 149 3 +1 1.329206 -1.122157 2.166147 Rho 0.2772820E-01 |GRAD(Rho)| 0.2573833E-16 GRAD(Rho)x 0.2558717E-16 GRAD(Rho)y -0.8796989E-18 GRAD(Rho)z 0.2642784E-17 Laplacian 0.1143633E+00 (-1/4)Del**2(Rho)) -0.2859083E-01 Diamond 0.1928140E-01 Metallicity 0.1530603E+01 Ellipticity -0.1052478E+02 Gb(Abramov) 0.2635409E-01 Vb(Abramov) -0.2411735E-01 Hb(Abramov) 0.2236741E-02 Ex_ueg -0.6198416E-02 Ec_ueg -0.1227032E-02 Delta_ex -0.7505067E-02 Delta_ec 0.2283633E-02 Delta_et -0.2061776E-01 Pxc 0.5051551E+01 Qxc -0.3286460E+01 3,+1 150 3 -1 1.768552 -0.548185 1.706905 Rho 0.4306318E-01 |GRAD(Rho)| 0.2478231E-13 GRAD(Rho)x 0.1763921E-13 GRAD(Rho)y 0.7675691E-14 GRAD(Rho)z 0.1562385E-13 Laplacian 0.1828079E+00 (-1/4)Del**2(Rho)) -0.4570197E-01 Diamond 0.7760057E-01 Metallicity 0.1994321E+01 Ellipticity 0.1116081E-01 Gb(Abramov) 0.4565871E-01 Vb(Abramov) -0.4561546E-01 Hb(Abramov) 0.4325432E-04 Ex_ueg -0.1114790E-01 Ec_ueg -0.2035181E-02 Delta_ex -0.1459804E-01 Delta_ec 0.5636840E-02 Delta_et -0.5717116E-01 Pxc 0.5477597E+01 Qxc -0.2589755E+01 3,-1 151 3 +3 2.337629 -0.011654 0.003491 Rho 0.4559850E-02 |GRAD(Rho)| 0.3272054E-17 GRAD(Rho)x 0.2622314E-17 GRAD(Rho)y -0.1937747E-17 GRAD(Rho)z -0.2737546E-18 Laplacian 0.1855134E-01 (-1/4)Del**2(Rho)) -0.4637835E-02 Diamond 0.1733279E-03 Metallicity 0.4657527E+00 Ellipticity -0.3462987E+00 Gb(Abramov) 0.3451904E-02 Vb(Abramov) -0.2265973E-02 Hb(Abramov) 0.1185931E-02 Ex_ueg -0.5584519E-03 Ec_ueg -0.1280208E-03 Delta_ex -0.6868780E-03 Delta_ec 0.1925610E-03 Delta_et -0.1176967E-02 Pxc 0.4362197E+01 Qxc -0.3567066E+01 3,+3 152 3 -1 1.869557 0.536857 2.763968 Rho 0.1008082E+00 |GRAD(Rho)| 0.7588532E-16 GRAD(Rho)x -0.5387130E-17 GRAD(Rho)y -0.2073537E-17 GRAD(Rho)z 0.7566545E-16 Laplacian 0.4184725E+00 (-1/4)Del**2(Rho)) -0.1046181E+00 Diamond 0.5236917E+00 Metallicity 0.3595612E+01 Ellipticity 0.8650122E-02 Gb(Abramov) 0.1324398E+00 Vb(Abramov) -0.1602614E+00 Hb(Abramov) -0.2782165E-01 Ex_ueg -0.3465078E-01 Ec_ueg -0.5374037E-02 Delta_ex -0.4082650E-01 Delta_ec 0.1159245E-01 Delta_et -0.1441623E+00 Pxc 0.6447811E+01 Qxc -0.3521818E+01 3,-1 153 3 -1 2.042785 0.826007 -2.963914 Rho 0.1117920E+00 |GRAD(Rho)| 0.1178621E-12 GRAD(Rho)x 0.7851894E-13 GRAD(Rho)y -0.7961137E-13 GRAD(Rho)z 0.3725964E-13 Laplacian 0.4367935E+00 (-1/4)Del**2(Rho)) -0.1091984E+00 Diamond 0.6171803E+00 Metallicity 0.4092811E+01 Ellipticity 0.2552470E-01 Gb(Abramov) 0.1472870E+00 Vb(Abramov) -0.1853755E+00 Hb(Abramov) -0.3808859E-01 Ex_ueg -0.3977402E-01 Ec_ueg -0.6044746E-02 Delta_ex -0.4363291E-01 Delta_ec 0.1176919E-01 Delta_et -0.1491886E+00 Pxc 0.6579931E+01 Qxc -0.3707386E+01 3,-1 154 3 -1 1.773027 0.533928 -1.702605 Rho 0.4207983E-01 |GRAD(Rho)| 0.4299011E-16 GRAD(Rho)x 0.3435163E-16 GRAD(Rho)y -0.4550367E-17 GRAD(Rho)z -0.2544423E-16 Laplacian 0.1776638E+00 (-1/4)Del**2(Rho)) -0.4441595E-01 Diamond 0.7276570E-01 Metallicity 0.1974562E+01 Ellipticity 0.1470018E-01 Gb(Abramov) 0.4422764E-01 Vb(Abramov) -0.4403934E-01 Hb(Abramov) 0.1883081E-03 Ex_ueg -0.1080978E-01 Ec_ueg -0.1981996E-02 Delta_ex -0.1408913E-01 Delta_ec 0.5448011E-02 Delta_et -0.5490847E-01 Pxc 0.5453989E+01 Qxc -0.2586105E+01 3,-1 155 3 -1 1.757959 2.803267 0.570538 Rho 0.1494383E+00 |GRAD(Rho)| 0.1342137E-13 GRAD(Rho)x 0.1132850E-13 GRAD(Rho)y 0.7109066E-14 GRAD(Rho)z -0.1122176E-14 Laplacian 0.6264926E+00 (-1/4)Del**2(Rho)) -0.1566232E+00 Diamond 0.1260276E+01 Metallicity 0.4628783E+01 Ellipticity 0.1390005E-01 Gb(Abramov) 0.2252445E+00 Vb(Abramov) -0.2938659E+00 Hb(Abramov) -0.6862138E-01 Ex_ueg -0.5856895E-01 Ec_ueg -0.8407564E-02 Delta_ex -0.6718133E-01 Delta_ec 0.1584598E-01 Delta_et -0.2106833E+00 Pxc 0.6966221E+01 Qxc -0.4239644E+01 3,-1 156 3 -1 1.694534 -1.776159 0.533919 Rho 0.4009078E-01 |GRAD(Rho)| 0.1314970E-15 GRAD(Rho)x 0.9265545E-16 GRAD(Rho)y -0.7890832E-16 GRAD(Rho)z -0.4979866E-16 Laplacian 0.1678155E+00 (-1/4)Del**2(Rho)) -0.4195388E-01 Diamond 0.6439853E-01 Metallicity 0.1928362E+01 Ellipticity 0.2218014E-01 Gb(Abramov) 0.4145297E-01 Vb(Abramov) -0.4095205E-01 Hb(Abramov) 0.5009136E-03 Ex_ueg -0.1013393E-01 Ec_ueg -0.1874936E-02 Delta_ex -0.1315265E-01 Delta_ec 0.5152171E-02 Delta_et -0.5125176E-01 Pxc 0.5404945E+01 Qxc -0.2552837E+01 3,-1 157 3 -1 1.700705 1.756367 -0.530448 Rho 0.4845065E-01 |GRAD(Rho)| 0.8991650E-16 GRAD(Rho)x -0.5231530E-16 GRAD(Rho)y -0.6594067E-16 GRAD(Rho)z -0.3162143E-16 Laplacian 0.1983709E+00 (-1/4)Del**2(Rho)) -0.4959273E-01 Diamond 0.9541469E-01 Metallicity 0.2236838E+01 Ellipticity 0.1366583E-01 Gb(Abramov) 0.5155030E-01 Vb(Abramov) -0.5350787E-01 Hb(Abramov) -0.1957572E-02 Ex_ueg -0.1304521E-01 Ec_ueg -0.2329412E-02 Delta_ex -0.1615773E-01 Delta_ec 0.5837214E-02 Delta_et -0.6102789E-01 Pxc 0.5600217E+01 Qxc -0.2768055E+01 3,-1 158 3 -1 1.780619 -2.834899 -0.576222 Rho 0.1488204E+00 |GRAD(Rho)| 0.7091712E-13 GRAD(Rho)x 0.4904653E-13 GRAD(Rho)y -0.4534540E-15 GRAD(Rho)z 0.5121982E-13 Laplacian 0.6245097E+00 (-1/4)Del**2(Rho)) -0.1561274E+00 Diamond 0.1231787E+01 Metallicity 0.4611526E+01 Ellipticity 0.2753278E-01 Gb(Abramov) 0.2240826E+00 Vb(Abramov) -0.2920377E+00 Hb(Abramov) -0.6795515E-01 Ex_ueg -0.5824629E-01 Ec_ueg -0.8368045E-02 Delta_ex -0.6671666E-01 Delta_ec 0.1548383E-01 Delta_et -0.2049980E+00 Pxc 0.6960562E+01 Qxc -0.4308794E+01 3,-1 159 3 -1 1.967219 -3.033981 0.873963 Rho 0.1510141E+00 |GRAD(Rho)| 0.4217833E-15 GRAD(Rho)x -0.2415467E-15 GRAD(Rho)y -0.1933810E-15 GRAD(Rho)z 0.2866359E-15 Laplacian 0.5887891E+00 (-1/4)Del**2(Rho)) -0.1471973E+00 Diamond 0.1193226E+01 Metallicity 0.5012058E+01 Ellipticity 0.6560765E-01 Gb(Abramov) 0.2210917E+00 Vb(Abramov) -0.2949862E+00 Hb(Abramov) -0.7389445E-01 Ex_ueg -0.5939390E-01 Ec_ueg -0.8508465E-02 Delta_ex -0.6323999E-01 Delta_ec 0.1474383E-01 Delta_et -0.1960566E+00 Pxc 0.6980566E+01 Qxc -0.4289251E+01 3,-1 160 3 -1 1.952636 3.013403 -0.866138 Rho 0.1447840E+00 |GRAD(Rho)| 0.1474786E-13 GRAD(Rho)x -0.7095466E-14 GRAD(Rho)y -0.1271752E-13 GRAD(Rho)z -0.2327769E-14 Laplacian 0.5716424E+00 (-1/4)Del**2(Rho)) -0.1429106E+00 Diamond 0.1114102E+01 Metallicity 0.4812339E+01 Ellipticity 0.4026610E-01 Gb(Abramov) 0.2098961E+00 Vb(Abramov) -0.2768816E+00 Hb(Abramov) -0.6698550E-01 Ex_ueg -0.5614948E-01 Ec_ueg -0.8110453E-02 Delta_ex -0.6089903E-01 Delta_ec 0.1470370E-01 Delta_et -0.1949117E+00 Pxc 0.6923099E+01 Qxc -0.4141749E+01 3,-1 161 3 -1 2.046254 -0.852708 2.960964 Rho 0.1311486E+00 |GRAD(Rho)| 0.4294507E-16 GRAD(Rho)x 0.4302927E-17 GRAD(Rho)y -0.3606327E-16 GRAD(Rho)z 0.2291732E-16 Laplacian 0.5075842E+00 (-1/4)Del**2(Rho)) -0.1268961E+00 Diamond 0.8722894E+00 Metallicity 0.4595975E+01 Ellipticity 0.4107192E-01 Gb(Abramov) 0.1817992E+00 Vb(Abramov) -0.2367024E+00 Hb(Abramov) -0.5490316E-01 Ex_ueg -0.4921186E-01 Ec_ueg -0.7247907E-02 Delta_ex -0.5271863E-01 Delta_ec 0.1324192E-01 Delta_et -0.1726314E+00 Pxc 0.6789804E+01 Qxc -0.3981192E+01 3,-1 162 3 -1 3.046668 -0.885664 1.953297 Rho 0.1551009E+00 |GRAD(Rho)| 0.3027946E-11 GRAD(Rho)x 0.1241846E-11 GRAD(Rho)y -0.2216879E-11 GRAD(Rho)z -0.1646731E-11 Laplacian 0.6063064E+00 (-1/4)Del**2(Rho)) -0.1515766E+00 Diamond 0.1268751E+01 Metallicity 0.5088756E+01 Ellipticity 0.6909769E-01 Gb(Abramov) 0.2296071E+00 Vb(Abramov) -0.3076377E+00 Hb(Abramov) -0.7803052E-01 Ex_ueg -0.6154662E-01 Ec_ueg -0.8770842E-02 Delta_ex -0.6555228E-01 Delta_ec 0.1508062E-01 Delta_et -0.2012459E+00 Pxc 0.7017185E+01 Qxc -0.4346790E+01 3,-1 163 3 -1 2.813573 -0.582418 -1.774763 Rho 0.1511561E+00 |GRAD(Rho)| 0.4053418E-13 GRAD(Rho)x -0.2796506E-14 GRAD(Rho)y 0.2726793E-13 GRAD(Rho)z -0.2986066E-13 Laplacian 0.6330397E+00 (-1/4)Del**2(Rho)) -0.1582599E+00 Diamond 0.1269976E+01 Metallicity 0.4669011E+01 Ellipticity 0.2672646E-01 Gb(Abramov) 0.2286595E+00 Vb(Abramov) -0.2990591E+00 Hb(Abramov) -0.7039959E-01 Ex_ueg -0.5946835E-01 Ec_ueg -0.8517561E-02 Delta_ex -0.6786682E-01 Delta_ec 0.1559510E-01 Delta_et -0.2068056E+00 Pxc 0.6981852E+01 Qxc -0.4351803E+01 3,-1 164 3 -1 2.878072 0.063225 -0.062525 Rho 0.5134388E-02 |GRAD(Rho)| 0.5331786E-17 GRAD(Rho)x -0.1287000E-17 GRAD(Rho)y 0.3260509E-17 GRAD(Rho)z 0.4017543E-17 Laplacian 0.2075985E-01 (-1/4)Del**2(Rho)) -0.5189962E-02 Diamond 0.5634682E-03 Metallicity 0.5072283E+00 Ellipticity 0.9083182E+01 Gb(Abramov) 0.3898724E-02 Vb(Abramov) -0.2607486E-02 Hb(Abramov) 0.1291238E-02 Ex_ueg -0.6541890E-03 Ec_ueg -0.1527006E-03 Delta_ex -0.1092832E-02 Delta_ec 0.7525655E-03 Delta_et -0.4079891E-02 Pxc 0.4284128E+01 Qxc -0.1452142E+01 3,-1 165 3 -1 2.802624 0.551955 1.782145 Rho 0.1335648E+00 |GRAD(Rho)| 0.7033007E-16 GRAD(Rho)x 0.6907384E-16 GRAD(Rho)y -0.1245477E-16 GRAD(Rho)z -0.4472334E-17 Laplacian 0.5632913E+00 (-1/4)Del**2(Rho)) -0.1408228E+00 Diamond 0.9787678E+00 Metallicity 0.4269400E+01 Ellipticity 0.1546633E-01 Gb(Abramov) 0.1940867E+00 Vb(Abramov) -0.2473506E+00 Hb(Abramov) -0.5326388E-01 Ex_ueg -0.5042444E-01 Ec_ueg -0.7399879E-02 Delta_ex -0.5863876E-01 Delta_ec 0.1440822E-01 Delta_et -0.1879459E+00 Pxc 0.6814226E+01 Qxc -0.4069813E+01 3,-1 166 3 -1 3.026470 0.860335 -1.953929 Rho 0.1410984E+00 |GRAD(Rho)| 0.2332782E-15 GRAD(Rho)x -0.4748128E-16 GRAD(Rho)y 0.1733233E-15 GRAD(Rho)z 0.1487390E-15 Laplacian 0.5506513E+00 (-1/4)Del**2(Rho)) -0.1376628E+00 Diamond 0.1028273E+01 Metallicity 0.4785640E+01 Ellipticity 0.5711830E-01 Gb(Abramov) 0.2015760E+00 Vb(Abramov) -0.2654892E+00 Hb(Abramov) -0.6391318E-01 Ex_ueg -0.5425185E-01 Ec_ueg -0.7876142E-02 Delta_ex -0.5816316E-01 Delta_ec 0.1401816E-01 Delta_et -0.1846211E+00 Pxc 0.6888125E+01 Qxc -0.4149130E+01 3,-1 167 3 +1 2.875628 0.108496 -0.107278 Rho 0.5133711E-02 |GRAD(Rho)| 0.6437430E-15 GRAD(Rho)x -0.3268903E-17 GRAD(Rho)y 0.4247756E-15 GRAD(Rho)z -0.4836942E-15 Laplacian 0.2092808E-01 (-1/4)Del**2(Rho)) -0.5232021E-02 Diamond 0.5405638E-03 Metallicity 0.5030402E+00 Ellipticity -0.9179694E+01 Gb(Abramov) 0.3926667E-02 Vb(Abramov) -0.2621313E-02 Hb(Abramov) 0.1305354E-02 Ex_ueg -0.6540741E-03 Ec_ueg -0.1526715E-03 Delta_ex -0.1077125E-02 Delta_ec 0.7148571E-03 Delta_et -0.3890645E-02 Pxc 0.4284194E+01 Qxc -0.1506770E+01 3,+1 168 3 -1 3.133224 -3.287530 -0.060666 Rho 0.2439819E+00 |GRAD(Rho)| 0.1571320E-15 GRAD(Rho)x -0.1530893E-15 GRAD(Rho)y -0.2846031E-16 GRAD(Rho)z -0.2107418E-16 Laplacian 0.8656084E+00 (-1/4)Del**2(Rho)) -0.2164021E+00 Diamond 0.3143275E+01 Metallicity 0.7583817E+01 Ellipticity 0.4857913E-03 Gb(Abramov) 0.4177937E+00 Vb(Abramov) -0.6191853E+00 Hb(Abramov) -0.2013916E+00 Ex_ueg -0.1125975E+00 Ec_ueg -0.1471481E-01 Delta_ex -0.1051414E+00 Delta_ec 0.1922032E-01 Delta_et -0.2672388E+00 Pxc 0.7651984E+01 Qxc -0.5470323E+01 3,-1 169 3 -1 2.738896 1.840166 0.561004 Rho 0.1378923E+00 |GRAD(Rho)| 0.1368469E-15 GRAD(Rho)x 0.5185875E-16 GRAD(Rho)y 0.1116728E-16 GRAD(Rho)z 0.1261469E-15 Laplacian 0.5797566E+00 (-1/4)Del**2(Rho)) -0.1449391E+00 Diamond 0.1064885E+01 Metallicity 0.4374560E+01 Ellipticity 0.1170222E-01 Gb(Abramov) 0.2023002E+00 Vb(Abramov) -0.2596613E+00 Hb(Abramov) -0.5736110E-01 Ex_ueg -0.5261447E-01 Ec_ueg -0.7673013E-02 Delta_ex -0.6102581E-01 Delta_ec 0.1507601E-01 Delta_et -0.1983581E+00 Pxc 0.6857081E+01 Qxc -0.4047874E+01 3,-1 170 3 -1 2.966203 2.026058 -0.839800 Rho 0.1320004E+00 |GRAD(Rho)| 0.1768700E-15 GRAD(Rho)x -0.1483934E-15 GRAD(Rho)y 0.7818453E-16 GRAD(Rho)z 0.5612101E-16 Laplacian 0.5177814E+00 (-1/4)Del**2(Rho)) -0.1294453E+00 Diamond 0.9057507E+00 Metallicity 0.4554342E+01 Ellipticity 0.2588546E-01 Gb(Abramov) 0.1845533E+00 Vb(Abramov) -0.2396612E+00 Hb(Abramov) -0.5510795E-01 Ex_ueg -0.4963852E-01 Ec_ueg -0.7301442E-02 Delta_ex -0.5396813E-01 Delta_ec 0.1367653E-01 Delta_et -0.1788447E+00 Pxc 0.6798455E+01 Qxc -0.3946041E+01 3,-1 171 3 -1 2.969876 -2.051154 0.829601 Rho 0.1115114E+00 |GRAD(Rho)| 0.1744843E-15 GRAD(Rho)x 0.1266755E-15 GRAD(Rho)y -0.6335806E-17 GRAD(Rho)z 0.1198247E-15 Laplacian 0.4345369E+00 (-1/4)Del**2(Rho)) -0.1086342E+00 Diamond 0.6148230E+00 Metallicity 0.4096870E+01 Ellipticity 0.2191946E-01 Gb(Abramov) 0.1465995E+00 Vb(Abramov) -0.1845648E+00 Hb(Abramov) -0.3796530E-01 Ex_ueg -0.3964096E-01 Ec_ueg -0.6027500E-02 Delta_ex -0.4342140E-01 Delta_ec 0.1178607E-01 Delta_et -0.1494389E+00 Pxc 0.6576685E+01 Qxc -0.3684130E+01 3,-1 172 3 -1 3.142287 3.250631 0.072240 Rho 0.2545349E+00 |GRAD(Rho)| 0.1234129E-11 GRAD(Rho)x -0.8514593E-12 GRAD(Rho)y -0.8615796E-12 GRAD(Rho)z -0.2361610E-12 Laplacian 0.9256558E+00 (-1/4)Del**2(Rho)) -0.2314139E+00 Diamond 0.3498347E+01 Metallicity 0.7610428E+01 Ellipticity 0.1538164E-02 Gb(Abramov) 0.4478025E+00 Vb(Abramov) -0.6641910E+00 Hb(Abramov) -0.2163886E+00 Ex_ueg -0.1191374E+00 Ec_ueg -0.1544965E-01 Delta_ex -0.1134979E+00 Delta_ec 0.1995303E-01 Delta_et -0.2761546E+00 Pxc 0.7711334E+01 Qxc -0.5688254E+01 3,-1 173 3 -1 3.273254 -0.077162 -3.128894 Rho 0.2441260E+00 |GRAD(Rho)| 0.4571149E-15 GRAD(Rho)x 0.4494018E-15 GRAD(Rho)y -0.5144539E-16 GRAD(Rho)z 0.6591949E-16 Laplacian 0.8668134E+00 (-1/4)Del**2(Rho)) -0.2167033E+00 Diamond 0.3147651E+01 Metallicity 0.7580727E+01 Ellipticity 0.1894813E-02 Gb(Abramov) 0.4182637E+00 Vb(Abramov) -0.6198240E+00 Hb(Abramov) -0.2015604E+00 Ex_ueg -0.1126861E+00 Ec_ueg -0.1472480E-01 Delta_ex -0.1052923E+00 Delta_ec 0.1922292E-01 Delta_et -0.2671875E+00 Pxc 0.7652813E+01 Qxc -0.5477436E+01 3,-1 174 3 -1 3.281164 0.026408 3.134566 Rho 0.2437668E+00 |GRAD(Rho)| 0.5466462E-15 GRAD(Rho)x -0.5302833E-15 GRAD(Rho)y -0.1032974E-15 GRAD(Rho)z 0.8337515E-16 Laplacian 0.8706732E+00 (-1/4)Del**2(Rho)) -0.2176683E+00 Diamond 0.3152061E+01 Metallicity 0.7528623E+01 Ellipticity 0.2071179E-02 Gb(Abramov) 0.4182360E+00 Vb(Abramov) -0.6188037E+00 Hb(Abramov) -0.2005677E+00 Ex_ueg -0.1124651E+00 Ec_ueg -0.1469989E-01 Delta_ex -0.1056996E+00 Delta_ec 0.1927967E-01 Delta_et -0.2677965E+00 Pxc 0.7650745E+01 Qxc -0.5482438E+01 3,-1 175 3 -1 -4.193378 3.849164 -0.858543 Rho 0.3270451E+00 |GRAD(Rho)| 0.4309556E-10 GRAD(Rho)x 0.2958525E-10 GRAD(Rho)y -0.3078649E-10 GRAD(Rho)z 0.5842268E-11 Laplacian -0.1815885E+01 (-1/4)Del**2(Rho)) 0.4539712E+00 Diamond 0.6371371E+01 Metallicity -0.5891206E+01 Ellipticity 0.2374679E-02 Gb(Abramov) 0.1430922E+00 Vb(Abramov) -0.7401556E+00 Hb(Abramov) -0.5970634E+00 Ex_ueg -0.1664161E+00 Ec_ueg -0.2066447E-01 Delta_ex 0.1828864E+00 Delta_ec 0.6245635E-01 Delta_et -0.1499214E+01 Pxc 0.8053245E+01 Qxc 0.2928227E+01 3,-1 176 3 -1 -3.230603 0.076686 -3.158859 Rho 0.2554292E+00 |GRAD(Rho)| 0.6412111E-15 GRAD(Rho)x 0.1555830E-15 GRAD(Rho)y -0.7291260E-17 GRAD(Rho)z 0.6220068E-15 Laplacian 0.9319152E+00 (-1/4)Del**2(Rho)) -0.2329788E+00 Diamond 0.3534558E+01 Metallicity 0.7603630E+01 Ellipticity 0.2257729E-02 Gb(Abramov) 0.4505666E+00 Vb(Abramov) -0.6681545E+00 Hb(Abramov) -0.2175878E+00 Ex_ueg -0.1196958E+00 Ec_ueg -0.1551220E-01 Delta_ex -0.1143594E+00 Delta_ec 0.2004577E-01 Delta_et -0.2773525E+00 Pxc 0.7716238E+01 Qxc -0.5704916E+01 3,-1 177 3 -1 -2.763338 0.563059 -1.771229 Rho 0.1336684E+00 |GRAD(Rho)| 0.2939332E-09 GRAD(Rho)x -0.5521227E-10 GRAD(Rho)y 0.1919589E-09 GRAD(Rho)z 0.2156388E-09 Laplacian 0.5563297E+00 (-1/4)Del**2(Rho)) -0.1390824E+00 Diamond 0.9878945E+00 Metallicity 0.4328414E+01 Ellipticity 0.2412274E-01 Gb(Abramov) 0.1930560E+00 Vb(Abramov) -0.2470296E+00 Hb(Abramov) -0.5397358E-01 Ex_ueg -0.5047660E-01 Ec_ueg -0.7406403E-02 Delta_ex -0.5816104E-01 Delta_ec 0.1464895E-01 Delta_et -0.1919451E+00 Pxc 0.6815265E+01 Qxc -0.3970321E+01 3,-1 178 3 -1 -2.994867 -0.860716 -1.970705 Rho 0.1464525E+00 |GRAD(Rho)| 0.1138370E-12 GRAD(Rho)x -0.7614871E-13 GRAD(Rho)y 0.2561174E-13 GRAD(Rho)z 0.8064910E-13 Laplacian 0.5786709E+00 (-1/4)Del**2(Rho)) -0.1446677E+00 Diamond 0.1141930E+01 Metallicity 0.4845548E+01 Ellipticity 0.4252247E-01 Gb(Abramov) 0.2132775E+00 Vb(Abramov) -0.2818874E+00 Hb(Abramov) -0.6860982E-01 Ex_ueg -0.5701391E-01 Ec_ueg -0.8216811E-02 Delta_ex -0.6180540E-01 Delta_ec 0.1481510E-01 Delta_et -0.1966547E+00 Pxc 0.6938690E+01 Qxc -0.4171784E+01 3,-1 179 3 -1 -2.790660 -0.560045 1.781857 Rho 0.1482690E+00 |GRAD(Rho)| 0.2478282E-15 GRAD(Rho)x 0.1248662E-15 GRAD(Rho)y -0.6274820E-16 GRAD(Rho)z -0.2046703E-15 Laplacian 0.6274364E+00 (-1/4)Del**2(Rho)) -0.1568591E+00 Diamond 0.1249673E+01 Metallicity 0.4561707E+01 Ellipticity 0.1180630E-01 Gb(Abramov) 0.2238303E+00 Vb(Abramov) -0.2908014E+00 Hb(Abramov) -0.6697116E-01 Ex_ueg -0.5795873E-01 Ec_ueg -0.8332797E-02 Delta_ex -0.6714620E-01 Delta_ec 0.1588912E-01 Delta_et -0.2109988E+00 Pxc 0.6955495E+01 Qxc -0.4225924E+01 3,-1 180 3 -1 -2.713469 1.809726 -0.538085 Rho 0.1477418E+00 |GRAD(Rho)| 0.5318995E-14 GRAD(Rho)x 0.3335629E-14 GRAD(Rho)y -0.4104085E-14 GRAD(Rho)z 0.5672546E-15 Laplacian 0.6255010E+00 (-1/4)Del**2(Rho)) -0.1563752E+00 Diamond 0.1236231E+01 Metallicity 0.4548737E+01 Ellipticity 0.2174514E-01 Gb(Abramov) 0.2228018E+00 Vb(Abramov) -0.2892284E+00 Hb(Abramov) -0.6642656E-01 Ex_ueg -0.5768412E-01 Ec_ueg -0.8299114E-02 Delta_ex -0.6683715E-01 Delta_ec 0.1577663E-01 Delta_et -0.2092249E+00 Pxc 0.6950636E+01 Qxc -0.4236465E+01 3,-1 181 3 -1 -0.528561 2.735805 -1.839288 Rho 0.1160476E+00 |GRAD(Rho)| 0.1094033E-15 GRAD(Rho)x 0.2784367E-16 GRAD(Rho)y 0.1038801E-16 GRAD(Rho)z -0.1052896E-15 Laplacian 0.4847629E+00 (-1/4)Del**2(Rho)) -0.1211907E+00 Diamond 0.7288612E+00 Metallicity 0.3924739E+01 Ellipticity 0.6810015E-02 Gb(Abramov) 0.1600675E+00 Vb(Abramov) -0.1989442E+00 Hb(Abramov) -0.3887675E-01 Ex_ueg -0.4180549E-01 Ec_ueg -0.6307018E-02 Delta_ex -0.4903011E-01 Delta_ec 0.1326015E-01 Delta_et -0.1697106E+00 Pxc 0.6628408E+01 Qxc -0.3697553E+01 3,-1 182 3 -1 0.597216 1.785294 2.827505 Rho 0.1626993E+00 |GRAD(Rho)| 0.1539712E-15 GRAD(Rho)x 0.1419492E-15 GRAD(Rho)y 0.5393906E-16 GRAD(Rho)z 0.2545842E-16 Laplacian 0.6775950E+00 (-1/4)Del**2(Rho)) -0.1693987E+00 Diamond 0.1480903E+01 Metallicity 0.4931199E+01 Ellipticity 0.3266227E-01 Gb(Abramov) 0.2521557E+00 Vb(Abramov) -0.3349126E+00 Hb(Abramov) -0.8275691E-01 Ex_ueg -0.6559933E-01 Ec_ueg -0.9261348E-02 Delta_ex -0.7394837E-01 Delta_ec 0.1631732E-01 Delta_et -0.2181914E+00 Pxc 0.7083129E+01 Qxc -0.4531896E+01 3,-1 183 3 -1 2.745680 -1.872342 -0.548199 Rho 0.1119307E+00 |GRAD(Rho)| 0.4947032E-16 GRAD(Rho)x -0.6288373E-17 GRAD(Rho)y -0.4540097E-18 GRAD(Rho)z 0.4906692E-16 Laplacian 0.4648486E+00 (-1/4)Del**2(Rho)) -0.1162121E+00 Diamond 0.6584619E+00 Metallicity 0.3853749E+01 Ellipticity 0.9408004E-02 Gb(Abramov) 0.1521168E+00 Vb(Abramov) -0.1880215E+00 Hb(Abramov) -0.3590469E-01 Ex_ueg -0.3983980E-01 Ec_ueg -0.6053270E-02 Delta_ex -0.4645878E-01 Delta_ec 0.1253889E-01 Delta_et -0.1590072E+00 Pxc 0.6581533E+01 Qxc -0.3705175E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 131 115 108 144 141 122 59 148 140 84 106 123 138 126 181 146 147 134 125 182 132 110 117 133 156 183 158 171 159 168 157 169 155 170 160 172 95 180 100 73 102 61 99 77 96 70 97 69 56 177 87 178 85 176 94 179 86 65 93 64 150 165 152 162 161 174 154 163 142 166 153 173 135 119 137 120 164 78 101 107 175 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 21 25 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 20 23 27 28 54 2.401768 1.907952 1.946812 1.948090 2.010904 1.710635 2.419451 1.896949 1.987015 1.946009 1.981561 1.709947 2.372666 1.926542 2.014097 1.889448 1.952047 1.721038 2.438894 1.855929 1.961927 1.937532 2.078919 1.710259 2.439740 2.005907 1.890018 2.019596 1.897100 1.710666 2.380622 1.945057 1.913322 1.975109 1.937314 1.721677 2.298400 1.919260 1.871231 1.961682 1.852872 1.856211 2.384304 1.960439 1.928573 1.958374 1.922648 1.721526 2.372800 1.958949 1.940321 1.932982 1.940865 1.720207 2.409363 1.915703 1.962731 1.925412 1.957916 1.720147 2.406776 1.932525 2.047442 1.885695 1.955202 1.710852 2.419712 1.884315 1.995920 1.923908 2.018491 1.710498 1.685484 1.694523 1.694652 1.708290 3.286268 3.260919 3.221592 3.267101 0.982004 2.403663 1.908468 1.947312 1.948981 2.011743 1.710648 2.420989 1.897563 1.987546 1.946836 1.982480 1.709958 2.374426 1.926982 2.014488 1.890039 1.952741 1.721046 2.440287 1.856443 1.962403 1.938428 2.079421 1.710268 2.441445 2.006487 1.890610 2.020397 1.897858 1.710679 2.382337 1.945459 1.913799 1.975791 1.938022 1.721682 2.299813 1.919861 1.871752 1.962489 1.853672 1.857904 2.386044 1.960801 1.929037 1.959044 1.923337 1.721530 2.374556 1.959380 1.940717 1.933692 1.941511 1.720209 2.411056 1.916113 1.963124 1.925907 1.958610 1.720151 2.408800 1.933096 2.047955 1.886395 1.956021 1.710865 2.421219 1.884886 1.996514 1.924739 2.019345 1.710510 1.685487 1.694528 1.694656 1.708315 3.302080 3.270638 3.230559 3.276376 0.982301 27 27 25 25 25 24 30 27 25 28 27 22 27 25 25 25 26 22 27 24 27 28 27 22 31 25 26 25 26 21 31 25 28 24 27 22 29 24 27 27 24 26 30 27 27 27 27 23 30 25 27 24 27 21 30 24 27 26 28 22 32 26 28 27 28 20 31 27 25 25 28 22 24 25 23 24 35 35 35 35 18 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 Mo Mo W Mo Mo W W W W W Mo Mo 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 2.3848 2.4132 2.5235 2.4240 2.3784 2.5122 2.6450 2.5214 2.5285 2.5219 2.3785 2.4129 -1.1240 -1.1423 -1.1430 -1.1386 -0.9464 -0.8889 -0.9370 -0.9153 -0.8901 -0.8819 -0.9499 -0.9087 -0.9230 -0.9172 -0.9211 -0.8890 -0.8666 -0.9351 -0.8990 -0.9271 -0.8736 -0.9029 -0.9046 -0.8997 -0.9043 -0.8852 -0.8708 -0.9365 -0.6417 -0.6424 -0.7205 -0.6430 -0.6436 -0.7233 -0.6773 -0.7238 -0.7180 -0.7202 -0.6417 -0.6441 2.5154 0.3019 1.9275 1.9276 2.0800 1.9225 1.9113 2.0813 2.0673 2.0801 2.0799 2.0771 1.9221 1.9298 1.9412 1.9365 1.9367 1.9347 1.9355 1.9466 1.9391 1.9401 1.9456 1.9486 1.9347 1.9412 1.9397 1.9396 1.9396 1.9457 1.9574 1.9504 1.9528 1.9510 1.9555 1.9519 1.9516 1.9524 1.9512 1.9559 1.9570 1.9502 1.9889 1.9889 1.9775 1.9897 1.9888 1.9769 1.8794 1.9769 1.9781 1.9780 1.9886 1.9888 0.8050 0.5993 6.0636 6.0404 6.0810 6.0422 6.0645 6.0821 6.0812 6.0809 6.0818 6.0813 6.0634 6.0402 5.1434 5.1658 5.1663 5.1638 4.9807 4.9156 4.9675 4.9472 4.9181 4.9058 4.9848 4.9388 4.9521 4.9493 4.9529 4.9162 4.8797 4.9516 4.9153 4.9424 4.8897 4.9196 4.9223 4.9157 4.9225 4.8972 4.8847 4.9530 4.6157 4.6163 4.7039 4.6162 4.6177 4.7074 4.7652 4.7079 4.7006 4.7029 4.6160 4.6183 1.1297 0.0988 3.6240 3.6188 3.2869 3.6113 3.6458 3.2956 3.1759 3.2888 3.2810 3.2910 3.6361 3.6172 0.0394 0.0399 0.0400 0.0401 0.0302 0.0267 0.0304 0.0279 0.0263 0.0274 0.0303 0.0286 0.0312 0.0283 0.0287 0.0271 0.0295 0.0332 0.0309 0.0337 0.0285 0.0315 0.0307 0.0316 0.0307 0.0320 0.0292 0.0333 0.0371 0.0371 0.0391 0.0371 0.0371 0.0390 0.0326 0.0390 0.0393 0.0393 0.0371 0.0370 10.5498 0.0000 0.0000 0.0000 14.0287 0.0000 0.0000 14.0288 14.0307 14.0287 14.0288 14.0288 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 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 Mo Mo W Mo Mo W W W W W Mo Mo 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 3.183981 3.180527 2.524351 3.175736 3.177673 2.522654 2.571958 2.523803 2.526552 2.522624 3.181151 3.177502 -1.210021 -1.138464 -1.138041 -1.128539 -0.933597 -1.152643 -0.923178 -1.050381 -1.153528 -1.144676 -0.937324 -1.052853 -0.916614 -1.047039 -1.042631 -1.155194 -1.107983 -0.898292 -1.014600 -0.893526 -1.112304 -0.989247 -1.016490 -1.007399 -1.001222 -0.952063 -1.109989 -0.899018 -0.904735 -0.905453 -0.739916 -0.906370 -0.904811 -0.743930 -0.498649 -0.744665 -0.736433 -0.738999 -0.904112 -0.907450 2.326524 0.167344 2.386432 2.389815 1.958792 2.383095 2.398364 1.966126 1.839446 1.960180 1.955238 1.961871 2.392957 2.388503 -0.938001 -0.830222 -0.830579 -0.803625 -0.699917 -0.901097 -0.662691 -0.797574 -0.903053 -0.902591 -0.698993 -0.803412 -0.670167 -0.796610 -0.797360 -0.900222 -0.886160 -0.728510 -0.809875 -0.698980 -0.886534 -0.808402 -0.809885 -0.807173 -0.808320 -0.758492 -0.890704 -0.722337 -0.646917 -0.649966 -0.611918 -0.650704 -0.637859 -0.613567 -0.626613 -0.617684 -0.609421 -0.609208 -0.642225 -0.651146 1.688758 0.449132 2.461762 2.466843 2.048953 2.449652 2.471080 2.059281 2.064150 2.053840 2.046894 2.052325 2.467059 2.463676 -0.937147 -0.855607 -0.857278 -0.837450 -0.782928 -0.974516 -0.772671 -0.884521 -0.977640 -0.968747 -0.777361 -0.878725 -0.773081 -0.874291 -0.874268 -0.975432 -0.920585 -0.768729 -0.842991 -0.750770 -0.929305 -0.838330 -0.848789 -0.841758 -0.839358 -0.799647 -0.931393 -0.758858 -0.601775 -0.612104 -0.579101 -0.614119 -0.594725 -0.579310 -0.627796 -0.584113 -0.574754 -0.574253 -0.599752 -0.614905 1.671874 0.451496 -5.09142202 4.88205833 -1.16635184 7.14964673 10.57016799 -37.54232659 10.69902892 4.15639385 -4.33870818 -14.72656184 -384.6823 411.8095 -114.0518 -356.6912 -5.0200 -448.6359 Jun11-2024 04:46:51 Nodes: 1 Procs: 1 Jun11-2024 04:46:54 Nodes: 1 Procs: 1 0 Jun11-2024 04:46:56 Nodes: 1 Procs: 1 Jun11-2024 04:46:58 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:47:01 Nodes: 1 Procs: 1 Jun11-2024 04:47:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:47:06 Nodes: 1 Procs: 1 Jun11-2024 04:47:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:47:10 Nodes: 1 Procs: 1 Jun11-2024 04:47:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 04:47:18 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.89111373 -16.32749719 -16.37276117 -16.46430853 -16.48092663 -16.48372282 -16.48501750 -16.48611306 -16.48620283 -16.48631783 -16.48634517 -16.48639984 -16.48642275 -16.48644746 -16.48646344 -16.48649060 -16.48651337 -16.48643551 -16.48655974 -16.48659398 -16.48661508 -16.48664012 -16.48665904 -16.48662652 -16.48666081 -16.48672187 -16.48674903 -16.48678696 -16.48681847 -16.48686989 -16.48690342 -16.48694479 -16.48697846 -16.48698981 -16.48701072 -16.48701758 -16.48703203 -16.48704363 -16.48705628 -16.48706772 GEOMETRY CONVERGED