ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:35:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.40 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 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:35:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:35:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 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 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr03-2024 01:35:56 Nodes: 1 Procs: 1 Apr03-2024 01:35:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:35:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr03-2024 01:35:56 Nodes: 1 Procs: 1 Apr03-2024 01:35:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:35:58 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.04 1.41 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 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr03-2024 01:35:56 Nodes: 1 Procs: 1 Apr03-2024 01:35:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Apr03-2024 01:35:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr03-2024 01:36:01 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2701.2297610000055 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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.W ADF 2019 Apr03-2024 01:35:59 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr03-2024 01:35:57 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr03-2024 01:35:58 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr03-2024 01:35:55 1 1 Phosphorus TZP 1s t21.H ADF 2019 Apr03-2024 01:35:55 1 1 Hydrogen TZP 1 1 -16.20498906 0.23446728 0.00100000 F 0.11050953 0.00066667 F 0.23446728 0.11050953 0.13692690 0.01000000 F 0.05247309 0.00666667 F Cartesian 2701.2297610000055 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3.735927 0.193942 -3.770621 3.809429 -0.199558 -3.759483 -3.712538 0.182471 -3.732160 0.203992 -3.770828 -3.754334 -0.175790 3.757191 3.742441 0.192915 3.749367 3.758183 -0.218653 -3.749485 -0.004937 0.009637 -0.023128 -4.363718 3.839309 -0.981527 1 3 -3 0.087198 -2.544991 2.544171 Rho 0.4361414E+07 3,-3 2 3 -3 -0.070092 -2.567954 -2.533622 Rho 0.4361414E+07 3,-3 3 3 -3 0.137119 2.534886 -2.562971 Rho 0.4361414E+07 3,-3 4 3 -3 -0.084434 2.557794 2.554803 Rho 0.4361414E+07 3,-3 5 3 -3 2.565113 -2.558970 0.113733 Rho 0.4361414E+07 3,-3 6 3 -3 2.552663 2.542371 -0.096436 Rho 0.4361414E+07 3,-3 7 3 -3 -2.502200 2.488466 0.079692 Rho 0.4361414E+07 3,-3 8 3 -3 -2.552722 -2.521044 -0.100248 Rho 0.4361414E+07 3,-3 9 3 -3 -2.547720 0.099160 2.565510 Rho 0.4361414E+07 3,-3 10 3 -3 2.542575 -0.092402 2.552250 Rho 0.4361414E+07 3,-3 11 3 -3 -2.517061 -0.138201 -2.621292 Rho 0.1240648E+06 3,-3 12 3 -3 2.574289 0.073314 -2.553518 Rho 0.1240648E+06 3,-3 13 3 -3 0.877256 -0.864615 0.908816 Rho 0.3187822E+03 3,-3 14 3 -3 -0.885397 -0.904340 -0.917502 Rho 0.3187818E+03 3,-3 15 3 -3 0.894837 0.914019 -0.906041 Rho 0.3187813E+03 3,-3 16 3 -3 -0.934026 0.919985 0.852228 Rho 0.3187725E+03 3,-3 17 3 -3 -3.018109 -1.147699 1.168856 Rho 0.3188761E+03 3,-3 18 3 -3 3.023182 -1.192741 -1.174714 Rho 0.3189499E+03 3,-3 19 3 -3 -2.991500 1.181681 -1.127815 Rho 0.3190219E+03 3,-3 20 3 -3 3.016800 1.162731 1.164326 Rho 0.3188770E+03 3,-3 21 3 -3 1.158570 -1.173289 -3.022464 Rho 0.3189504E+03 3,-3 22 3 -3 1.173613 1.183995 3.026190 Rho 0.3188757E+03 3,-3 23 3 -3 -1.172413 1.181729 -3.010629 Rho 0.3189471E+03 3,-3 24 3 -3 -1.179024 -1.166800 3.025148 Rho 0.3188758E+03 3,-3 25 3 -3 -1.143205 2.996144 -1.132537 Rho 0.3189200E+03 3,-3 26 3 -3 -1.172978 -3.003577 1.157761 Rho 0.3188753E+03 3,-3 27 3 -3 1.168714 3.017263 1.166206 Rho 0.3188753E+03 3,-3 28 3 -3 1.180752 -3.030227 -1.168305 Rho 0.3188802E+03 3,-3 29 3 -3 3.379502 -1.493822 1.495043 Rho 0.3189748E+03 3,-3 30 3 -3 -3.379539 -1.464601 -1.506039 Rho 0.3190536E+03 3,-3 31 3 -3 3.382005 1.491392 -1.505657 Rho 0.3190509E+03 3,-3 32 3 -3 -3.361956 1.510433 1.495172 Rho 0.3190001E+03 3,-3 33 3 -3 1.488170 -1.492052 3.375143 Rho 0.3189769E+03 3,-3 34 3 -3 1.498188 1.495765 -3.403064 Rho 0.3190493E+03 3,-3 35 3 -3 -1.481669 1.496987 3.377712 Rho 0.3189717E+03 3,-3 36 3 -3 -1.494514 -1.513916 -3.425603 Rho 0.3190731E+03 3,-3 37 3 -3 -1.508205 -3.361747 -1.510772 Rho 0.3189842E+03 3,-3 38 3 -3 -1.499416 3.356693 1.472455 Rho 0.3190099E+03 3,-3 39 3 -3 1.488415 -3.376159 1.490888 Rho 0.3189746E+03 3,-3 40 3 -3 1.510355 3.383986 -1.502314 Rho 0.3189879E+03 3,-3 41 3 -3 -0.202954 -3.747386 3.737430 Rho 0.3194313E+03 3,-3 42 3 -3 0.215556 -3.768251 -3.730854 Rho 0.3194328E+03 3,-3 43 3 -3 -0.185277 3.751632 -3.734101 Rho 0.3194359E+03 3,-3 44 3 -3 0.186175 3.772660 3.738347 Rho 0.3194407E+03 3,-3 45 3 -3 3.762519 -3.758532 -0.167527 Rho 0.3194348E+03 3,-3 46 3 -3 3.755574 3.735927 0.193942 Rho 0.3194304E+03 3,-3 47 3 -3 -3.770621 3.809429 -0.199558 Rho 0.3186926E+03 3,-3 48 3 -3 -3.759483 -3.712538 0.182471 Rho 0.3194310E+03 3,-3 49 3 -3 -3.732160 0.203992 -3.770828 Rho 0.3195918E+03 3,-3 50 3 -3 -3.754334 -0.175790 3.757191 Rho 0.3194368E+03 3,-3 51 3 -3 3.742441 0.192915 3.749367 Rho 0.3194311E+03 3,-3 52 3 -3 3.758183 -0.218653 -3.749485 Rho 0.3195833E+03 3,-3 53 3 -3 -0.004937 0.009637 -0.023128 Rho 0.2439504E+04 3,-3 54 3 -3 -4.363718 3.839309 -0.981527 Rho 0.4422266E+00 3,-3 55 3 +1 1.229803 2.118856 -1.147068 Rho 0.2600019E-01 |GRAD(Rho)| 0.4702218E-15 GRAD(Rho)x -0.4372224E-15 GRAD(Rho)y 0.1707506E-15 GRAD(Rho)z -0.2809469E-16 Laplacian 0.1050754E+00 (-1/4)Del**2(Rho)) -0.2626884E-01 Diamond 0.1566528E-01 Metallicity 0.1496488E+01 Ellipticity -0.6027151E+01 Gb(Abramov) 0.2406439E-01 Vb(Abramov) -0.2185995E-01 Hb(Abramov) 0.2204446E-02 Ex_ueg -0.5688798E-02 Ec_ueg -0.1139203E-02 Delta_ex -0.6723592E-02 Delta_ec 0.1996502E-02 Delta_et -0.1774940E-01 Pxc 0.4993664E+01 Qxc -0.3367686E+01 3,+1 56 3 +1 0.560963 -0.520384 -1.695396 Rho 0.8717137E-02 |GRAD(Rho)| 0.2936621E-15 GRAD(Rho)x -0.2431896E-15 GRAD(Rho)y -0.7500903E-16 GRAD(Rho)z 0.1465260E-15 Laplacian 0.3621639E-01 (-1/4)Del**2(Rho)) -0.9054098E-02 Diamond 0.1058681E-02 Metallicity 0.7025293E+00 Ellipticity -0.1458622E+01 Gb(Abramov) 0.7096194E-02 Vb(Abramov) -0.5138289E-02 Hb(Abramov) 0.1957905E-02 Ex_ueg -0.1325003E-02 Ec_ueg -0.3102242E-03 Delta_ex -0.1691803E-02 Delta_ec 0.5660732E-03 Delta_et -0.3836893E-02 Pxc 0.4271115E+01 Qxc -0.2988664E+01 3,+1 57 3 -1 -2.744688 1.781568 -0.568462 Rho 0.1785038E+00 |GRAD(Rho)| 0.4163231E-15 GRAD(Rho)x 0.2648977E-15 GRAD(Rho)y -0.3192433E-15 GRAD(Rho)z -0.3518236E-16 Laplacian 0.7529162E+00 (-1/4)Del**2(Rho)) -0.1882290E+00 Diamond 0.1857389E+01 Metallicity 0.5179394E+01 Ellipticity 0.1809377E-01 Gb(Abramov) 0.2879714E+00 Vb(Abramov) -0.3877138E+00 Hb(Abramov) -0.9974237E-01 Ex_ueg -0.7423037E-01 Ec_ueg -0.1029250E-01 Delta_ex -0.8424903E-01 Delta_ec 0.1795002E-01 Delta_et -0.2431794E+00 Pxc 0.7212082E+01 Qxc -0.4693535E+01 3,-1 58 3 -1 -2.939260 1.953815 0.835022 Rho 0.1503741E+00 |GRAD(Rho)| 0.4127757E-15 GRAD(Rho)x 0.7250602E-16 GRAD(Rho)y 0.2950385E-15 GRAD(Rho)z -0.2794260E-15 Laplacian 0.5917985E+00 (-1/4)Del**2(Rho)) -0.1479496E+00 Diamond 0.1200884E+01 Metallicity 0.4951395E+01 Ellipticity 0.2711876E-01 Gb(Abramov) 0.2207259E+00 Vb(Abramov) -0.2935023E+00 Hb(Abramov) -0.7277631E-01 Ex_ueg -0.5905850E-01 Ec_ueg -0.8467465E-02 Delta_ex -0.6357277E-01 Delta_ec 0.1497075E-01 Delta_et -0.1992776E+00 Pxc 0.6974755E+01 Qxc -0.4246466E+01 3,-1 59 3 +1 -1.740709 1.743170 -1.750957 Rho 0.1246096E-01 |GRAD(Rho)| 0.2331517E-12 GRAD(Rho)x -0.8342734E-13 GRAD(Rho)y -0.1978899E-12 GRAD(Rho)z -0.9077007E-13 Laplacian 0.6302615E-01 (-1/4)Del**2(Rho)) -0.1575654E-01 Diamond 0.2678608E-02 Metallicity 0.7322813E+00 Ellipticity -0.1270839E+01 Gb(Abramov) 0.1242740E-01 Vb(Abramov) -0.9098252E-02 Hb(Abramov) 0.3329143E-02 Ex_ueg -0.2133635E-02 Ec_ueg -0.4808899E-03 Delta_ex -0.3134269E-02 Delta_ec 0.8274591E-03 Delta_et -0.6254864E-02 Pxc 0.4436848E+01 Qxc -0.3787824E+01 3,+1 60 3 +1 -1.977171 1.984727 1.999275 Rho 0.1296492E-01 |GRAD(Rho)| 0.2716180E-16 GRAD(Rho)x 0.2502403E-16 GRAD(Rho)y 0.8077187E-17 GRAD(Rho)z 0.6805910E-17 Laplacian 0.6264005E-01 (-1/4)Del**2(Rho)) -0.1566001E-01 Diamond 0.2310683E-02 Metallicity 0.7871261E+00 Ellipticity -0.1150895E+01 Gb(Abramov) 0.1249441E-01 Vb(Abramov) -0.9328806E-02 Hb(Abramov) 0.3165604E-02 Ex_ueg -0.2249460E-02 Ec_ueg -0.5042945E-03 Delta_ex -0.3017480E-02 Delta_ec 0.5895199E-03 Delta_et -0.4668895E-02 Pxc 0.4460609E+01 Qxc -0.5118537E+01 3,+1 61 3 +1 0.023026 -0.017209 2.907277 Rho 0.4835638E-02 |GRAD(Rho)| 0.5731524E-17 GRAD(Rho)x 0.4571890E-17 GRAD(Rho)y 0.3368536E-17 GRAD(Rho)z 0.7753430E-18 Laplacian 0.1976086E-01 (-1/4)Del**2(Rho)) -0.4940216E-02 Diamond 0.4849857E-03 Metallicity 0.4822033E+00 Ellipticity -0.9267237E+01 Gb(Abramov) 0.3690509E-02 Vb(Abramov) -0.2440801E-02 Hb(Abramov) 0.1249707E-02 Ex_ueg -0.6039348E-03 Ec_ueg -0.1398465E-03 Delta_ex -0.1019305E-02 Delta_ec 0.6992297E-03 Delta_et -0.3728232E-02 Pxc 0.4318555E+01 Qxc -0.1457754E+01 3,+1 62 3 -1 -3.187889 3.177214 -0.097728 Rho 0.1779425E+00 |GRAD(Rho)| 0.7701637E-15 GRAD(Rho)x -0.2148076E-15 GRAD(Rho)y 0.7395614E-15 GRAD(Rho)z -0.7670730E-17 Laplacian 0.6887506E+00 (-1/4)Del**2(Rho)) -0.1721876E+00 Diamond 0.1742388E+01 Metallicity 0.5632275E+01 Ellipticity 0.1150812E+00 Gb(Abramov) 0.2764264E+00 Vb(Abramov) -0.3806652E+00 Hb(Abramov) -0.1042388E+00 Ex_ueg -0.7391930E-01 Ec_ueg -0.1025563E-01 Delta_ex -0.7740218E-01 Delta_ec 0.1713792E-01 Delta_et -0.2342084E+00 Pxc 0.7207679E+01 Qxc -0.4516427E+01 3,-1 63 3 +1 -1.683847 0.490136 -0.604907 Rho 0.9054370E-02 |GRAD(Rho)| 0.1479066E-16 GRAD(Rho)x -0.1075599E-16 GRAD(Rho)y -0.1012232E-17 GRAD(Rho)z -0.1010187E-16 Laplacian 0.3889862E-01 (-1/4)Del**2(Rho)) -0.9724655E-02 Diamond 0.1221048E-02 Metallicity 0.6968020E+00 Ellipticity -0.1457416E+01 Gb(Abramov) 0.7612463E-02 Vb(Abramov) -0.5500271E-02 Hb(Abramov) 0.2112192E-02 Ex_ueg -0.1393786E-02 Ec_ueg -0.3253554E-03 Delta_ex -0.1844317E-02 Delta_ec 0.6257633E-03 Delta_et -0.4271316E-02 Pxc 0.4283887E+01 Qxc -0.2947308E+01 3,+1 64 3 -1 -1.685618 1.675937 0.456956 Rho 0.5158130E-01 |GRAD(Rho)| 0.6752222E-16 GRAD(Rho)x -0.6566538E-16 GRAD(Rho)y -0.1551171E-16 GRAD(Rho)z 0.2587262E-17 Laplacian 0.2077950E+00 (-1/4)Del**2(Rho)) -0.5194876E-01 Diamond 0.1069458E+00 Metallicity 0.2370274E+01 Ellipticity 0.1085654E-01 Gb(Abramov) 0.5515463E-01 Vb(Abramov) -0.5836051E-01 Hb(Abramov) -0.3205877E-02 Ex_ueg -0.1418104E-01 Ec_ueg -0.2502467E-02 Delta_ex -0.1711710E-01 Delta_ec 0.5972567E-02 Delta_et -0.6342457E-01 Pxc 0.5666824E+01 Qxc -0.2865954E+01 3,-1 65 3 +1 -2.108156 1.009983 1.347988 Rho 0.2684432E-01 |GRAD(Rho)| 0.4963261E-16 GRAD(Rho)x -0.4508452E-16 GRAD(Rho)y 0.1736830E-16 GRAD(Rho)z 0.1136330E-16 Laplacian 0.1057709E+00 (-1/4)Del**2(Rho)) -0.2644271E-01 Diamond 0.1411158E-01 Metallicity 0.1567958E+01 Ellipticity -0.2822289E+01 Gb(Abramov) 0.2453866E-01 Vb(Abramov) -0.2263460E-01 Hb(Abramov) 0.1904059E-02 Ex_ueg -0.5936379E-02 Ec_ueg -0.1182014E-02 Delta_ex -0.6591670E-02 Delta_ec 0.1592640E-02 Delta_et -0.1434031E-01 Pxc 0.5022259E+01 Qxc -0.4138832E+01 3,+1 66 3 +1 -0.540912 -1.671911 0.536098 Rho 0.8752920E-02 |GRAD(Rho)| 0.3215916E-12 GRAD(Rho)x 0.2813332E-12 GRAD(Rho)y -0.1342369E-12 GRAD(Rho)z -0.7907743E-13 Laplacian 0.3646422E-01 (-1/4)Del**2(Rho)) -0.9116055E-02 Diamond 0.1056073E-02 Metallicity 0.7025348E+00 Ellipticity -0.1440470E+01 Gb(Abramov) 0.7144761E-02 Vb(Abramov) -0.5173467E-02 Hb(Abramov) 0.1971294E-02 Ex_ueg -0.1332260E-02 Ec_ueg -0.3118274E-03 Delta_ex -0.1698157E-02 Delta_ec 0.5575211E-03 Delta_et -0.3792049E-02 Pxc 0.4272428E+01 Qxc -0.3045906E+01 3,+1 67 3 +3 -1.106319 1.077826 -1.151500 Rho 0.5166545E-02 |GRAD(Rho)| 0.1262527E-15 GRAD(Rho)x 0.1177079E-15 GRAD(Rho)y -0.4500747E-16 GRAD(Rho)z 0.7676011E-17 Laplacian 0.2173331E-01 (-1/4)Del**2(Rho)) -0.5433327E-02 Diamond 0.1707369E-03 Metallicity 0.4895769E+00 Ellipticity -0.2246397E+00 Gb(Abramov) 0.4065557E-02 Vb(Abramov) -0.2697786E-02 Hb(Abramov) 0.1367771E-02 Ex_ueg -0.6596577E-03 Ec_ueg -0.1540869E-03 Delta_ex -0.7684030E-03 Delta_ec 0.1147749E-03 Delta_et -0.8589088E-03 Pxc 0.4281075E+01 Qxc -0.6694868E+01 3,+3 68 3 +1 -2.913489 -0.146460 -0.158633 Rho 0.5114711E-02 |GRAD(Rho)| 0.4500483E-17 GRAD(Rho)x -0.2935300E-18 GRAD(Rho)y 0.1150271E-17 GRAD(Rho)z -0.4341090E-17 Laplacian 0.2156537E-01 (-1/4)Del**2(Rho)) -0.5391343E-02 Diamond 0.4966925E-03 Metallicity 0.4851671E+00 Ellipticity -0.2240997E+01 Gb(Abramov) 0.4030179E-02 Vb(Abramov) -0.2669015E-02 Hb(Abramov) 0.1361164E-02 Ex_ueg -0.6508484E-03 Ec_ueg -0.1518526E-03 Delta_ex -0.1057293E-02 Delta_ec 0.6440355E-03 Delta_et -0.3535686E-02 Pxc 0.4286053E+01 Qxc -0.1641668E+01 3,+1 69 3 +1 -0.510258 1.680222 -0.562743 Rho 0.9580582E-02 |GRAD(Rho)| 0.4280329E-13 GRAD(Rho)x 0.3441224E-13 GRAD(Rho)y -0.1912105E-13 GRAD(Rho)z -0.1680193E-13 Laplacian 0.4124538E-01 (-1/4)Del**2(Rho)) -0.1031135E-01 Diamond 0.1332446E-02 Metallicity 0.7220340E+00 Ellipticity -0.1425166E+01 Gb(Abramov) 0.8115088E-02 Vb(Abramov) -0.5918830E-02 Hb(Abramov) 0.2196258E-02 Ex_ueg -0.1502822E-02 Ec_ueg -0.3490649E-03 Delta_ex -0.1957608E-02 Delta_ec 0.6176795E-03 Delta_et -0.4311013E-02 Pxc 0.4305281E+01 Qxc -0.3169295E+01 3,+1 70 3 +3 -1.824446 1.830614 1.853250 Rho 0.1272034E-01 |GRAD(Rho)| 0.9283139E-17 GRAD(Rho)x -0.3325160E-17 GRAD(Rho)y -0.7899204E-17 GRAD(Rho)z 0.3566869E-17 Laplacian 0.5969788E-01 (-1/4)Del**2(Rho)) -0.1492447E-01 Diamond 0.1433472E-02 Metallicity 0.8001146E+00 Ellipticity -0.7101512E+00 Gb(Abramov) 0.1193986E-01 Vb(Abramov) -0.8955252E-02 Hb(Abramov) 0.2984609E-02 Ex_ueg -0.2193058E-02 Ec_ueg -0.4929238E-03 Delta_ex -0.2670428E-02 Delta_ec 0.2221831E-03 Delta_et -0.2100948E-02 Pxc 0.4449081E+01 Qxc -0.1201904E+02 3,+3 71 3 +1 -0.993076 2.098016 1.355280 Rho 0.2651288E-01 |GRAD(Rho)| 0.2649461E-16 GRAD(Rho)x 0.5927567E-17 GRAD(Rho)y -0.2230395E-16 GRAD(Rho)z 0.1301392E-16 Laplacian 0.1041522E+00 (-1/4)Del**2(Rho)) -0.2603806E-01 Diamond 0.1344995E-01 Metallicity 0.1559693E+01 Ellipticity -0.2675916E+01 Gb(Abramov) 0.2412727E-01 Vb(Abramov) -0.2221648E-01 Hb(Abramov) 0.1910788E-02 Ex_ueg -0.5838852E-02 Ec_ueg -0.1165183E-02 Delta_ex -0.6447814E-02 Delta_ec 0.1530739E-02 Delta_et -0.1375151E-01 Pxc 0.5011105E+01 Qxc -0.4212222E+01 3,+1 72 3 -1 -0.542594 2.762713 -1.800792 Rho 0.1282015E+00 |GRAD(Rho)| 0.1321101E-14 GRAD(Rho)x 0.7575050E-15 GRAD(Rho)y -0.1507854E-15 GRAD(Rho)z -0.1071802E-14 Laplacian 0.5366684E+00 (-1/4)Del**2(Rho)) -0.1341671E+00 Diamond 0.9098505E+00 Metallicity 0.4185324E+01 Ellipticity 0.1286640E-01 Gb(Abramov) 0.1830335E+00 Vb(Abramov) -0.2318999E+00 Hb(Abramov) -0.4886642E-01 Ex_ueg -0.4774295E-01 Ec_ueg -0.7063069E-02 Delta_ex -0.5558717E-01 Delta_ec 0.1434946E-01 Delta_et -0.1868834E+00 Pxc 0.6759518E+01 Qxc -0.3873816E+01 3,-1 73 3 -1 -0.835485 2.967626 1.971239 Rho 0.1385068E+00 |GRAD(Rho)| 0.7298367E-15 GRAD(Rho)x -0.5839106E-15 GRAD(Rho)y 0.2855721E-15 GRAD(Rho)z -0.3319014E-15 Laplacian 0.5554793E+00 (-1/4)Del**2(Rho)) -0.1388698E+00 Diamond 0.1029979E+01 Metallicity 0.4599712E+01 Ellipticity 0.4172616E-01 Gb(Abramov) 0.1990401E+00 Vb(Abramov) -0.2592104E+00 Hb(Abramov) -0.6017027E-01 Ex_ueg -0.5292734E-01 Ec_ueg -0.7711896E-02 Delta_ex -0.5858032E-01 Delta_ec 0.1451266E-01 Delta_et -0.1912470E+00 Pxc 0.6863077E+01 Qxc -0.4036498E+01 3,-1 74 3 +1 0.519790 1.695402 0.536629 Rho 0.8678435E-02 |GRAD(Rho)| 0.2011367E-14 GRAD(Rho)x -0.1052764E-14 GRAD(Rho)y 0.5522568E-15 GRAD(Rho)z 0.1622435E-14 Laplacian 0.3601137E-01 (-1/4)Del**2(Rho)) -0.9002843E-02 Diamond 0.1034447E-02 Metallicity 0.7013086E+00 Ellipticity -0.1445194E+01 Gb(Abramov) 0.7054191E-02 Vb(Abramov) -0.5105538E-02 Hb(Abramov) 0.1948653E-02 Ex_ueg -0.1317165E-02 Ec_ueg -0.3084909E-03 Delta_ex -0.1675074E-02 Delta_ec 0.5534222E-03 Delta_et -0.3753634E-02 Pxc 0.4269706E+01 Qxc -0.3026756E+01 3,+1 75 3 -1 -0.559232 1.810142 -2.784269 Rho 0.1411074E+00 |GRAD(Rho)| 0.3647720E-15 GRAD(Rho)x 0.1824441E-15 GRAD(Rho)y 0.2968139E-15 GRAD(Rho)z -0.1080475E-15 Laplacian 0.5955482E+00 (-1/4)Del**2(Rho)) -0.1488870E+00 Diamond 0.1126967E+01 Metallicity 0.4425330E+01 Ellipticity 0.1196453E-01 Gb(Abramov) 0.2090704E+00 Vb(Abramov) -0.2692538E+00 Hb(Abramov) -0.6018338E-01 Ex_ueg -0.5425644E-01 Ec_ueg -0.7876710E-02 Delta_ex -0.6306604E-01 Delta_ec 0.1544586E-01 Delta_et -0.2040340E+00 Pxc 0.6888211E+01 Qxc -0.4083038E+01 3,-1 76 3 -1 -0.504222 1.705288 1.669382 Rho 0.3623674E-01 |GRAD(Rho)| 0.1710162E-13 GRAD(Rho)x -0.1245985E-13 GRAD(Rho)y 0.1156430E-14 GRAD(Rho)z -0.1165676E-13 Laplacian 0.1413258E+00 (-1/4)Del**2(Rho)) -0.3533145E-01 Diamond 0.4502229E-01 Metallicity 0.1934818E+01 Ellipticity 0.1288193E-01 Gb(Abramov) 0.3494762E-01 Vb(Abramov) -0.3456380E-01 Hb(Abramov) 0.3838280E-03 Ex_ueg -0.8856263E-02 Ec_ueg -0.1669570E-02 Delta_ex -0.1065637E-01 Delta_ec 0.4075593E-02 Delta_et -0.3942571E-01 Pxc 0.5304518E+01 Qxc -0.2614680E+01 3,-1 77 3 +3 0.029583 2.344512 0.001011 Rho 0.4690377E-02 |GRAD(Rho)| 0.1376687E-15 GRAD(Rho)x 0.4533276E-16 GRAD(Rho)y -0.1079608E-15 GRAD(Rho)z -0.7240226E-16 Laplacian 0.1977011E-01 (-1/4)Del**2(Rho)) -0.4942528E-02 Diamond 0.1886405E-03 Metallicity 0.4580894E+00 Ellipticity -0.3299839E+00 Gb(Abramov) 0.3672372E-02 Vb(Abramov) -0.2402216E-02 Hb(Abramov) 0.1270156E-02 Ex_ueg -0.5798674E-03 Ec_ueg -0.1336129E-03 Delta_ex -0.7338965E-03 Delta_ec 0.1992887E-03 Delta_et -0.1233954E-02 Pxc 0.4339907E+01 Qxc -0.3682580E+01 3,+3 78 3 -1 -0.827639 1.981534 2.973364 Rho 0.1438949E+00 |GRAD(Rho)| 0.3031513E-15 GRAD(Rho)x 0.1123505E-15 GRAD(Rho)y 0.2424954E-15 GRAD(Rho)z -0.1430876E-15 Laplacian 0.5754809E+00 (-1/4)Del**2(Rho)) -0.1438702E+00 Diamond 0.1112432E+01 Metallicity 0.4731420E+01 Ellipticity 0.2714747E-01 Gb(Abramov) 0.2093652E+00 Vb(Abramov) -0.2748602E+00 Hb(Abramov) -0.6549500E-01 Ex_ueg -0.5569024E-01 Ec_ueg -0.8053855E-02 Delta_ex -0.6120647E-01 Delta_ec 0.1480819E-01 Delta_et -0.1960835E+00 Pxc 0.6914731E+01 Qxc -0.4133286E+01 3,-1 79 3 +1 0.078850 0.083877 -2.899304 Rho 0.4897421E-02 |GRAD(Rho)| 0.9935853E-16 GRAD(Rho)x -0.7213949E-16 GRAD(Rho)y 0.3651740E-18 GRAD(Rho)z 0.6832187E-16 Laplacian 0.2002813E-01 (-1/4)Del**2(Rho)) -0.5007033E-02 Diamond 0.4870239E-03 Metallicity 0.4859428E+00 Ellipticity -0.6020629E+01 Gb(Abramov) 0.3743544E-02 Vb(Abramov) -0.2480055E-02 Hb(Abramov) 0.1263489E-02 Ex_ueg -0.6142451E-03 Ec_ueg -0.1425011E-03 Delta_ex -0.1023122E-02 Delta_ec 0.6865739E-03 Delta_et -0.3682876E-02 Pxc 0.4310459E+01 Qxc -0.1490184E+01 3,+1 80 3 +3 0.010748 0.013624 -2.373153 Rho 0.4396952E-02 |GRAD(Rho)| 0.5453981E-14 GRAD(Rho)x 0.2149064E-14 GRAD(Rho)y 0.2484388E-14 GRAD(Rho)z 0.4353763E-14 Laplacian 0.1814132E-01 (-1/4)Del**2(Rho)) -0.4535331E-02 Diamond 0.1654571E-03 Metallicity 0.4482605E+00 Ellipticity -0.3081394E+00 Gb(Abramov) 0.3362389E-02 Vb(Abramov) -0.2189447E-02 Hb(Abramov) 0.1172942E-02 Ex_ueg -0.5320112E-03 Ec_ueg -0.1210542E-03 Delta_ex -0.6701381E-03 Delta_ec 0.1964020E-03 Delta_et -0.1179583E-02 Pxc 0.4394817E+01 Qxc -0.3412074E+01 3,+3 81 3 +1 0.566701 -1.686762 -0.527041 Rho 0.8426371E-02 |GRAD(Rho)| 0.1002811E-17 GRAD(Rho)x 0.3685987E-18 GRAD(Rho)y 0.8607741E-18 GRAD(Rho)z 0.3589341E-18 Laplacian 0.3486225E-01 (-1/4)Del**2(Rho)) -0.8715562E-02 Diamond 0.9692790E-03 Metallicity 0.6896976E+00 Ellipticity -0.1444555E+01 Gb(Abramov) 0.6812225E-02 Vb(Abramov) -0.4908888E-02 Hb(Abramov) 0.1903337E-02 Ex_ueg -0.1266405E-02 Ec_ueg -0.2972182E-03 Delta_ex -0.1613106E-02 Delta_ec 0.5417327E-03 Delta_et -0.3641514E-02 Pxc 0.4260858E+01 Qxc -0.2977678E+01 3,+1 82 3 +1 1.678480 0.554483 0.531089 Rho 0.8730136E-02 |GRAD(Rho)| 0.9373403E-17 GRAD(Rho)x 0.6098168E-17 GRAD(Rho)y 0.6425727E-17 GRAD(Rho)z -0.3063180E-17 Laplacian 0.3648387E-01 (-1/4)Del**2(Rho)) -0.9120966E-02 Diamond 0.1052360E-02 Metallicity 0.6991129E+00 Ellipticity -0.1435561E+01 Gb(Abramov) 0.7143409E-02 Vb(Abramov) -0.5165851E-02 Hb(Abramov) 0.1977558E-02 Ex_ueg -0.1327638E-02 Ec_ueg -0.3108065E-03 Delta_ex -0.1697728E-02 Delta_ec 0.5573963E-03 Delta_et -0.3788925E-02 Pxc 0.4271591E+01 Qxc -0.3045818E+01 3,+1 83 3 -1 0.351923 -0.343658 0.355581 Rho 0.2042410E+00 |GRAD(Rho)| 0.5158151E-15 GRAD(Rho)x 0.4457243E-15 GRAD(Rho)y -0.1571953E-15 GRAD(Rho)z 0.2066029E-15 Laplacian 0.7424669E+00 (-1/4)Del**2(Rho)) -0.1856167E+00 Diamond 0.2420044E+01 Metallicity 0.6574173E+01 Ellipticity 0.3704232E-02 Gb(Abramov) 0.3271239E+00 Vb(Abramov) -0.4686310E+00 Hb(Abramov) -0.1415072E+00 Ex_ueg -0.8883329E-01 Ec_ueg -0.1200233E-01 Delta_ex -0.8773610E-01 Delta_ec 0.2020924E-01 Delta_et -0.2883360E+00 Pxc 0.7401337E+01 Qxc -0.4341386E+01 3,-1 84 3 +1 -0.582644 -0.501582 1.677969 Rho 0.8333612E-02 |GRAD(Rho)| 0.1174874E-16 GRAD(Rho)x 0.5600570E-17 GRAD(Rho)y 0.1320874E-17 GRAD(Rho)z -0.1024314E-16 Laplacian 0.3453131E-01 (-1/4)Del**2(Rho)) -0.8632828E-02 Diamond 0.9358302E-03 Metallicity 0.6835792E+00 Ellipticity -0.1426973E+01 Gb(Abramov) 0.6738756E-02 Vb(Abramov) -0.4844683E-02 Hb(Abramov) 0.1894072E-02 Ex_ueg -0.1247851E-02 Ec_ueg -0.2930770E-03 Delta_ex -0.1588761E-02 Delta_ec 0.5282868E-03 Delta_et -0.3546938E-02 Pxc 0.4257759E+01 Qxc -0.3007384E+01 3,+1 85 3 +3 -0.045605 0.051912 2.345738 Rho 0.4253375E-02 |GRAD(Rho)| 0.1582497E-13 GRAD(Rho)x 0.1327517E-13 GRAD(Rho)y 0.3850662E-14 GRAD(Rho)z 0.7705308E-14 Laplacian 0.1752262E-01 (-1/4)Del**2(Rho)) -0.4380654E-02 Diamond 0.1448736E-03 Metallicity 0.4391070E+00 Ellipticity -0.2343114E+00 Gb(Abramov) 0.3241032E-02 Vb(Abramov) -0.2101410E-02 Hb(Abramov) 0.1139622E-02 Ex_ueg -0.5089752E-03 Ec_ueg -0.1149253E-03 Delta_ex -0.6328580E-03 Delta_ec 0.1734251E-03 Delta_et -0.1052325E-02 Pxc 0.4428747E+01 Qxc -0.3649172E+01 3,+3 86 3 +3 1.126054 -1.106336 -1.101315 Rho 0.4890709E-02 |GRAD(Rho)| 0.2579773E-14 GRAD(Rho)x 0.1466109E-14 GRAD(Rho)y -0.1568601E-14 GRAD(Rho)z -0.1430121E-14 Laplacian 0.1992654E-01 (-1/4)Del**2(Rho)) -0.4981636E-02 Diamond 0.1448959E-03 Metallicity 0.4873050E+00 Ellipticity -0.9164731E-01 Gb(Abramov) 0.3725687E-02 Vb(Abramov) -0.2469737E-02 Hb(Abramov) 0.1255949E-02 Ex_ueg -0.6131228E-03 Ec_ueg -0.1422126E-03 Delta_ex -0.6936993E-03 Delta_ec 0.1046667E-03 Delta_et -0.7765397E-03 Pxc 0.4311312E+01 Qxc -0.6627698E+01 3,+3 87 3 +1 1.686187 -0.542245 -0.552538 Rho 0.8228157E-02 |GRAD(Rho)| 0.2057332E-16 GRAD(Rho)x -0.2009080E-16 GRAD(Rho)y -0.1492759E-17 GRAD(Rho)z 0.4170471E-17 Laplacian 0.3377363E-01 (-1/4)Del**2(Rho)) -0.8443407E-02 Diamond 0.9254038E-03 Metallicity 0.6842367E+00 Ellipticity -0.1464052E+01 Gb(Abramov) 0.6591819E-02 Vb(Abramov) -0.4740232E-02 Hb(Abramov) 0.1851587E-02 Ex_ueg -0.1226841E-02 Ec_ueg -0.2883736E-03 Delta_ex -0.1561336E-02 Delta_ec 0.5387364E-03 Delta_et -0.3588308E-02 Pxc 0.4254347E+01 Qxc -0.2898145E+01 3,+1 88 3 -1 1.687141 1.692613 -0.492759 Rho 0.4017014E-01 |GRAD(Rho)| 0.5804767E-13 GRAD(Rho)x 0.3951060E-13 GRAD(Rho)y 0.3855418E-13 GRAD(Rho)z 0.1794492E-13 Laplacian 0.1600575E+00 (-1/4)Del**2(Rho)) -0.4001437E-01 Diamond 0.5946133E-01 Metallicity 0.2028505E+01 Ellipticity 0.1009958E-01 Gb(Abramov) 0.4020447E-01 Vb(Abramov) -0.4039457E-01 Hb(Abramov) -0.1901010E-03 Ex_ueg -0.1016068E-01 Ec_ueg -0.1879194E-02 Delta_ex -0.1242807E-01 Delta_ec 0.4694946E-02 Delta_et -0.4670348E-01 Pxc 0.5406936E+01 Qxc -0.2647117E+01 3,-1 89 3 +3 1.088626 1.112685 1.111343 Rho 0.4939268E-02 |GRAD(Rho)| 0.4422663E-17 GRAD(Rho)x -0.1590315E-17 GRAD(Rho)y -0.2029586E-17 GRAD(Rho)z 0.3593275E-17 Laplacian 0.2024658E-01 (-1/4)Del**2(Rho)) -0.5061646E-02 Diamond 0.1490292E-03 Metallicity 0.4875649E+00 Ellipticity -0.9979042E-01 Gb(Abramov) 0.3785744E-02 Vb(Abramov) -0.2509842E-02 Hb(Abramov) 0.1275902E-02 Ex_ueg -0.6212530E-03 Ec_ueg -0.1443002E-03 Delta_ex -0.7065634E-03 Delta_ec 0.1060180E-03 Delta_et -0.7888417E-03 Pxc 0.4305282E+01 Qxc -0.6664560E+01 3,+3 90 3 -1 0.862737 1.969370 -2.992919 Rho 0.1559288E+00 |GRAD(Rho)| 0.1650692E-15 GRAD(Rho)x -0.4456071E-16 GRAD(Rho)y 0.1583884E-15 GRAD(Rho)z -0.1324082E-16 Laplacian 0.6172161E+00 (-1/4)Del**2(Rho)) -0.1543040E+00 Diamond 0.1315817E+01 Metallicity 0.5043360E+01 Ellipticity 0.4190331E-01 Gb(Abramov) 0.2325711E+00 Vb(Abramov) -0.3108383E+00 Hb(Abramov) -0.7826712E-01 Ex_ueg -0.6198505E-01 Ec_ueg -0.8824119E-02 Delta_ex -0.6697070E-01 Delta_ec 0.1560076E-01 Delta_et -0.2089959E+00 Pxc 0.7024503E+01 Qxc -0.4292784E+01 3,-1 91 3 +1 1.355800 1.016948 -2.116805 Rho 0.2408963E-01 |GRAD(Rho)| 0.3604489E-16 GRAD(Rho)x -0.1003956E-16 GRAD(Rho)y -0.1093572E-16 GRAD(Rho)z 0.3284587E-16 Laplacian 0.9488324E-01 (-1/4)Del**2(Rho)) -0.2372081E-01 Diamond 0.1146774E-01 Metallicity 0.1459286E+01 Ellipticity -0.2987008E+01 Gb(Abramov) 0.2158312E-01 Vb(Abramov) -0.1944542E-01 Hb(Abramov) 0.2137695E-02 Ex_ueg -0.5138368E-02 Ec_ueg -0.1042988E-02 Delta_ex -0.5806117E-02 Delta_ec 0.1544039E-02 Delta_et -0.1352308E-01 Pxc 0.4926582E+01 Qxc -0.3760343E+01 3,+1 92 3 +1 1.758382 1.756117 1.755180 Rho 0.1242640E-01 |GRAD(Rho)| 0.1138424E-13 GRAD(Rho)x 0.9018130E-14 GRAD(Rho)y -0.1816179E-14 GRAD(Rho)z -0.6706400E-14 Laplacian 0.6292285E-01 (-1/4)Del**2(Rho)) -0.1573071E-01 Diamond 0.2635003E-02 Metallicity 0.7300969E+00 Ellipticity -0.1242400E+01 Gb(Abramov) 0.1240130E-01 Vb(Abramov) -0.9071886E-02 Hb(Abramov) 0.3329414E-02 Ex_ueg -0.2125751E-02 Ec_ueg -0.4792889E-03 Delta_ex -0.3118826E-02 Delta_ec 0.8117977E-03 Delta_et -0.6142973E-02 Pxc 0.4435218E+01 Qxc -0.3841876E+01 3,+1 93 3 +1 2.903486 0.077410 -0.100107 Rho 0.4828815E-02 |GRAD(Rho)| 0.1333112E-16 GRAD(Rho)x -0.1177918E-17 GRAD(Rho)y -0.1038040E-16 GRAD(Rho)z -0.8281214E-17 Laplacian 0.1988218E-01 (-1/4)Del**2(Rho)) -0.4970546E-02 Diamond 0.4710543E-03 Metallicity 0.4781344E+00 Ellipticity -0.4394823E+01 Gb(Abramov) 0.3709796E-02 Vb(Abramov) -0.2449045E-02 Hb(Abramov) 0.1260751E-02 Ex_ueg -0.6027989E-03 Ec_ueg -0.1395535E-03 Delta_ex -0.1009748E-02 Delta_ec 0.6757624E-03 Delta_et -0.3611586E-02 Pxc 0.4319484E+01 Qxc -0.1494236E+01 3,+1 94 3 +1 2.003564 1.979094 -2.008390 Rho 0.1247551E-01 |GRAD(Rho)| 0.1532825E-16 GRAD(Rho)x -0.1138668E-16 GRAD(Rho)y -0.3131450E-17 GRAD(Rho)z -0.9772035E-17 Laplacian 0.5889995E-01 (-1/4)Del**2(Rho)) -0.1472499E-01 Diamond 0.2061271E-02 Metallicity 0.7851071E+00 Ellipticity -0.1161421E+01 Gb(Abramov) 0.1174344E-01 Vb(Abramov) -0.8761892E-02 Hb(Abramov) 0.2981547E-02 Ex_ueg -0.2136959E-02 Ec_ueg -0.4815646E-03 Delta_ex -0.2807606E-02 Delta_ec 0.5548027E-03 Delta_et -0.4357500E-02 Pxc 0.4437534E+01 Qxc -0.5060548E+01 3,+1 95 3 -1 2.792085 -1.827163 -0.571852 Rho 0.1419995E+00 |GRAD(Rho)| 0.2582154E-15 GRAD(Rho)x -0.6434062E-16 GRAD(Rho)y 0.5643272E-16 GRAD(Rho)z -0.2436202E-15 Laplacian 0.5984892E+00 (-1/4)Del**2(Rho)) -0.1496223E+00 Diamond 0.1139415E+01 Metallicity 0.4450084E+01 Ellipticity 0.1136288E-01 Gb(Abramov) 0.2107202E+00 Vb(Abramov) -0.2718180E+00 Hb(Abramov) -0.6109787E-01 Ex_ueg -0.5471430E-01 Ec_ueg -0.7933350E-02 Delta_ex -0.6345636E-01 Delta_ec 0.1546533E-01 Delta_et -0.2044152E+00 Pxc 0.6896745E+01 Qxc -0.4103136E+01 3,-1 96 3 -1 2.979968 -1.979783 0.848644 Rho 0.1484581E+00 |GRAD(Rho)| 0.1354883E-15 GRAD(Rho)x 0.8123385E-16 GRAD(Rho)y -0.7029696E-16 GRAD(Rho)z 0.8256200E-16 Laplacian 0.5944165E+00 (-1/4)Del**2(Rho)) -0.1486041E+00 Diamond 0.1193985E+01 Metallicity 0.4825351E+01 Ellipticity 0.3154023E-01 Gb(Abramov) 0.2185806E+00 Vb(Abramov) -0.2885571E+00 Hb(Abramov) -0.6997647E-01 Ex_ueg -0.5805733E-01 Ec_ueg -0.8344885E-02 Delta_ex -0.6371591E-01 Delta_ec 0.1519717E-01 Delta_et -0.2021864E+00 Pxc 0.6957235E+01 Qxc -0.4192615E+01 3,-1 97 3 +1 1.990667 -1.991235 1.992892 Rho 0.1269640E-01 |GRAD(Rho)| 0.3887138E-16 GRAD(Rho)x -0.3287617E-16 GRAD(Rho)y 0.1240743E-16 GRAD(Rho)z 0.1661918E-16 Laplacian 0.6022369E-01 (-1/4)Del**2(Rho)) -0.1505592E-01 Diamond 0.2180372E-02 Metallicity 0.7906424E+00 Ellipticity -0.1165681E+01 Gb(Abramov) 0.1202126E-01 Vb(Abramov) -0.8986590E-02 Hb(Abramov) 0.3034666E-02 Ex_ueg -0.2187556E-02 Ec_ueg -0.4918119E-03 Delta_ex -0.2890286E-02 Delta_ec 0.5773623E-03 Delta_et -0.4541390E-02 Pxc 0.4447952E+01 Qxc -0.5006018E+01 3,+1 98 3 +3 1.815747 -1.815685 1.816164 Rho 0.1232703E-01 |GRAD(Rho)| 0.1043329E-16 GRAD(Rho)x 0.6191479E-17 GRAD(Rho)y -0.3875897E-17 GRAD(Rho)z 0.7449595E-17 Laplacian 0.5626328E-01 (-1/4)Del**2(Rho)) -0.1406582E-01 Diamond 0.1220873E-02 Metallicity 0.8056611E+00 Ellipticity -0.6533830E+00 Gb(Abramov) 0.1126593E-01 Vb(Abramov) -0.8466035E-02 Hb(Abramov) 0.2799893E-02 Ex_ueg -0.2103116E-02 Ec_ueg -0.4746870E-03 Delta_ex -0.2473509E-02 Delta_ec 0.1736329E-03 Delta_et -0.1732095E-02 Pxc 0.4430532E+01 Qxc -0.1424562E+02 3,+3 99 3 +1 1.760753 -1.761630 -1.763652 Rho 0.1227116E-01 |GRAD(Rho)| 0.1040403E-16 GRAD(Rho)x 0.9087048E-17 GRAD(Rho)y -0.2922756E-17 GRAD(Rho)z 0.4138464E-17 Laplacian 0.6211386E-01 (-1/4)Del**2(Rho)) -0.1552847E-01 Diamond 0.2570648E-02 Metallicity 0.7242702E+00 Ellipticity -0.1249789E+01 Gb(Abramov) 0.1222678E-01 Vb(Abramov) -0.8925090E-02 Hb(Abramov) 0.3301688E-02 Ex_ueg -0.2090415E-02 Ec_ueg -0.4721011E-03 Delta_ex -0.3072433E-02 Delta_ec 0.8083759E-03 Delta_et -0.6093031E-02 Pxc 0.4427897E+01 Qxc -0.3800747E+01 3,+1 100 3 -1 1.673980 -0.469530 1.694173 Rho 0.3980519E-01 |GRAD(Rho)| 0.1242978E-12 GRAD(Rho)x -0.8441981E-13 GRAD(Rho)y -0.3704085E-13 GRAD(Rho)z -0.8337394E-13 Laplacian 0.1587745E+00 (-1/4)Del**2(Rho)) -0.3969361E-01 Diamond 0.5838012E-01 Metallicity 0.2014027E+01 Ellipticity 0.1284125E-01 Gb(Abramov) 0.3978641E-01 Vb(Abramov) -0.3987921E-01 Hb(Abramov) -0.9279716E-04 Ex_ueg -0.1003779E-01 Ec_ueg -0.1859622E-02 Delta_ex -0.1230770E-01 Delta_ec 0.4670424E-02 Delta_et -0.4634730E-01 Pxc 0.5397756E+01 Qxc -0.2635241E+01 3,-1 101 3 +1 2.095851 -1.224201 1.126884 Rho 0.2440190E-01 |GRAD(Rho)| 0.5696679E-16 GRAD(Rho)x -0.4796792E-16 GRAD(Rho)y 0.2504417E-16 GRAD(Rho)z -0.1780685E-16 Laplacian 0.9725060E-01 (-1/4)Del**2(Rho)) -0.2431265E-01 Diamond 0.1336255E-01 Metallicity 0.1454656E+01 Ellipticity -0.5882602E+01 Gb(Abramov) 0.2210286E-01 Vb(Abramov) -0.1989307E-01 Hb(Abramov) 0.2209792E-02 Ex_ueg -0.5227371E-02 Ec_ueg -0.1058648E-02 Delta_ex -0.6128422E-02 Delta_ec 0.1862596E-02 Delta_et -0.1629138E-01 Pxc 0.4937779E+01 Qxc -0.3290258E+01 3,+1 102 3 +1 1.147102 -1.184289 2.112072 Rho 0.2552809E-01 |GRAD(Rho)| 0.1417347E-14 GRAD(Rho)x -0.1262093E-14 GRAD(Rho)y -0.9471133E-16 GRAD(Rho)z 0.6379853E-15 Laplacian 0.1039485E+00 (-1/4)Del**2(Rho)) -0.2598713E-01 Diamond 0.1551311E-01 Metallicity 0.1467209E+01 Ellipticity -0.7404753E+01 Gb(Abramov) 0.2367952E-01 Vb(Abramov) -0.2137190E-01 Hb(Abramov) 0.2307617E-02 Ex_ueg -0.5551490E-02 Ec_ueg -0.1115339E-02 Delta_ex -0.6661890E-02 Delta_ec 0.2050723E-02 Delta_et -0.1813252E-01 Pxc 0.4977399E+01 Qxc -0.3248557E+01 3,+1 103 3 -1 0.473864 -1.669223 1.690416 Rho 0.3894154E-01 |GRAD(Rho)| 0.9116605E-16 GRAD(Rho)x -0.3389371E-16 GRAD(Rho)y -0.8186700E-16 GRAD(Rho)z 0.2145365E-16 Laplacian 0.1545441E+00 (-1/4)Del**2(Rho)) -0.3863602E-01 Diamond 0.5497911E-01 Metallicity 0.1994876E+01 Ellipticity 0.1251562E-01 Gb(Abramov) 0.3860302E-01 Vb(Abramov) -0.3857003E-01 Hb(Abramov) 0.3299387E-04 Ex_ueg -0.9748456E-02 Ec_ueg -0.1813404E-02 Delta_ex -0.1190419E-01 Delta_ec 0.4527801E-02 Delta_et -0.4466556E-01 Pxc 0.5375777E+01 Qxc -0.2629133E+01 3,-1 104 3 -1 3.208319 -0.082510 -3.194202 Rho 0.2458879E+00 |GRAD(Rho)| 0.2143079E-15 GRAD(Rho)x -0.1777549E-15 GRAD(Rho)y 0.4213481E-16 GRAD(Rho)z 0.1120523E-15 Laplacian 0.8619878E+00 (-1/4)Del**2(Rho)) -0.2154969E+00 Diamond 0.3168031E+01 Metallicity 0.7715086E+01 Ellipticity 0.1036968E-02 Gb(Abramov) 0.4207609E+00 Vb(Abramov) -0.6260248E+00 Hb(Abramov) -0.2052639E+00 Ex_ueg -0.1137718E+00 Ec_ueg -0.1484708E-01 Delta_ex -0.1049583E+00 Delta_ec 0.1917331E-01 Delta_et -0.2670040E+00 Pxc 0.7662909E+01 Qxc -0.5474186E+01 3,-1 105 3 -1 1.702394 0.488022 -1.698412 Rho 0.3501775E-01 |GRAD(Rho)| 0.6822509E-14 GRAD(Rho)x 0.4330224E-14 GRAD(Rho)y -0.1816587E-14 GRAD(Rho)z -0.4949323E-14 Laplacian 0.1454975E+00 (-1/4)Del**2(Rho)) -0.3637437E-01 Diamond 0.4649519E-01 Metallicity 0.1775163E+01 Ellipticity 0.1292580E-01 Gb(Abramov) 0.3501131E-01 Vb(Abramov) -0.3364826E-01 Hb(Abramov) 0.1363051E-02 Ex_ueg -0.8461281E-02 Ec_ueg -0.1605216E-02 Delta_ex -0.1103453E-01 Delta_ec 0.4475417E-02 Delta_et -0.4290262E-01 Pxc 0.5271116E+01 Qxc -0.2465588E+01 3,-1 106 3 -1 3.192972 0.061861 3.201130 Rho 0.2566592E+00 |GRAD(Rho)| 0.4535079E-12 GRAD(Rho)x -0.3162691E-12 GRAD(Rho)y -0.7767905E-13 GRAD(Rho)z -0.3156093E-12 Laplacian 0.9205251E+00 (-1/4)Del**2(Rho)) -0.2301313E+00 Diamond 0.3523964E+01 Metallicity 0.7759591E+01 Ellipticity 0.1201211E-02 Gb(Abramov) 0.4510416E+00 Vb(Abramov) -0.6719519E+00 Hb(Abramov) -0.2209103E+00 Ex_ueg -0.1204650E+00 Ec_ueg -0.1559831E-01 Delta_ex -0.1131648E+00 Delta_ec 0.1987884E-01 Delta_et -0.2755786E+00 Pxc 0.7722951E+01 Qxc -0.5692729E+01 3,-1 107 3 +1 -1.993822 -1.976658 -2.021096 Rho 0.1245039E-01 |GRAD(Rho)| 0.2412280E-16 GRAD(Rho)x 0.1877757E-16 GRAD(Rho)y -0.1424796E-16 GRAD(Rho)z 0.5129135E-17 Laplacian 0.5872946E-01 (-1/4)Del**2(Rho)) -0.1468236E-01 Diamond 0.2047201E-02 Metallicity 0.7847455E+00 Ellipticity -0.1157187E+01 Gb(Abramov) 0.1170856E-01 Vb(Abramov) -0.8734761E-02 Hb(Abramov) 0.2973802E-02 Ex_ueg -0.2131224E-02 Ec_ueg -0.4804004E-03 Delta_ex -0.2797266E-02 Delta_ec 0.5520209E-03 Delta_et -0.4335000E-02 Pxc 0.4436349E+01 Qxc -0.5067318E+01 3,+1 108 3 -1 -2.973089 -1.947643 -0.847683 Rho 0.1423068E+00 |GRAD(Rho)| 0.5535328E-13 GRAD(Rho)x 0.1586437E-13 GRAD(Rho)y -0.3498344E-13 GRAD(Rho)z 0.3985557E-13 Laplacian 0.5657340E+00 (-1/4)Del**2(Rho)) -0.1414335E+00 Diamond 0.1083496E+01 Metallicity 0.4724728E+01 Ellipticity 0.2880123E-01 Gb(Abramov) 0.2056615E+00 Vb(Abramov) -0.2698894E+00 Hb(Abramov) -0.6422797E-01 Ex_ueg -0.5487221E-01 Ec_ueg -0.7952870E-02 Delta_ex -0.6005393E-01 Delta_ec 0.1468066E-01 Delta_et -0.1942540E+00 Pxc 0.6899674E+01 Qxc -0.4090682E+01 3,-1 109 3 -1 -2.784155 -1.785582 0.575467 Rho 0.1440138E+00 |GRAD(Rho)| 0.7920707E-15 GRAD(Rho)x 0.7154447E-15 GRAD(Rho)y -0.4475044E-16 GRAD(Rho)z 0.3369158E-15 Laplacian 0.6100570E+00 (-1/4)Del**2(Rho)) -0.1525143E+00 Diamond 0.1179962E+01 Metallicity 0.4469406E+01 Ellipticity 0.8547902E-02 Gb(Abramov) 0.2152842E+00 Vb(Abramov) -0.2780541E+00 Hb(Abramov) -0.6276993E-01 Ex_ueg -0.5575160E-01 Ec_ueg -0.8061421E-02 Delta_ex -0.6489195E-01 Delta_ec 0.1568574E-01 Delta_et -0.2077094E+00 Pxc 0.6915853E+01 Qxc -0.4137003E+01 3,-1 110 3 -1 -2.952121 -0.836341 -2.017112 Rho 0.1365140E+00 |GRAD(Rho)| 0.2797316E-13 GRAD(Rho)x -0.1849171E-13 GRAD(Rho)y 0.1627787E-13 GRAD(Rho)z -0.1325085E-13 Laplacian 0.5409342E+00 (-1/4)Del**2(Rho)) -0.1352335E+00 Diamond 0.9708841E+00 Metallicity 0.4610669E+01 Ellipticity 0.4296586E-01 Gb(Abramov) 0.1940752E+00 Vb(Abramov) -0.2529169E+00 Hb(Abramov) -0.5884168E-01 Ex_ueg -0.5191441E-01 Ec_ueg -0.7585887E-02 Delta_ex -0.5667900E-01 Delta_ec 0.1388345E-01 Delta_et -0.1819492E+00 Pxc 0.6843552E+01 Qxc -0.4082487E+01 3,-1 111 3 +3 -2.351645 -0.055200 -0.061908 Rho 0.4531469E-02 |GRAD(Rho)| 0.1747750E-14 GRAD(Rho)x 0.1363990E-14 GRAD(Rho)y 0.7881122E-15 GRAD(Rho)z 0.7569946E-15 Laplacian 0.1914471E-01 (-1/4)Del**2(Rho)) -0.4786179E-02 Diamond 0.1772162E-03 Metallicity 0.4466452E+00 Ellipticity -0.4039256E+00 Gb(Abramov) 0.3547073E-02 Vb(Abramov) -0.2307967E-02 Hb(Abramov) 0.1239106E-02 Ex_ueg -0.5538223E-03 Ec_ueg -0.1268061E-03 Delta_ex -0.7075819E-03 Delta_ec 0.1984402E-03 Delta_et -0.1211369E-02 Pxc 0.4367475E+01 Qxc -0.3565718E+01 3,+3 112 3 -1 -2.782005 -0.564121 1.817651 Rho 0.1429887E+00 |GRAD(Rho)| 0.3761087E-15 GRAD(Rho)x 0.6785750E-16 GRAD(Rho)y 0.1368534E-15 GRAD(Rho)z 0.3436921E-15 Laplacian 0.6027293E+00 (-1/4)Del**2(Rho)) -0.1506823E+00 Diamond 0.1156031E+01 Metallicity 0.4470202E+01 Ellipticity 0.8795982E-02 Gb(Abramov) 0.2127183E+00 Vb(Abramov) -0.2747543E+00 Hb(Abramov) -0.6203596E-01 Ex_ueg -0.5522310E-01 Ec_ueg -0.7996213E-02 Delta_ex -0.6400291E-01 Delta_ec 0.1552831E-01 Delta_et -0.2054167E+00 Pxc 0.6906157E+01 Qxc -0.4121691E+01 3,-1 113 3 -1 -1.770154 2.741660 -0.567318 Rho 0.1590981E+00 |GRAD(Rho)| 0.1368327E-15 GRAD(Rho)x 0.2295798E-16 GRAD(Rho)y -0.4519768E-16 GRAD(Rho)z 0.1270956E-15 Laplacian 0.6661639E+00 (-1/4)Del**2(Rho)) -0.1665410E+00 Diamond 0.1439010E+01 Metallicity 0.4832151E+01 Ellipticity 0.1818096E-01 Gb(Abramov) 0.2451525E+00 Vb(Abramov) -0.3237640E+00 Hb(Abramov) -0.7861153E-01 Ex_ueg -0.6367053E-01 Ec_ueg -0.9028446E-02 Delta_ex -0.7249569E-01 Delta_ec 0.1649170E-01 Delta_et -0.2208668E+00 Pxc 0.7052214E+01 Qxc -0.4395891E+01 3,-1 114 3 -1 -1.953763 2.930172 0.822235 Rho 0.1500075E+00 |GRAD(Rho)| 0.5233066E-15 GRAD(Rho)x 0.1541464E-15 GRAD(Rho)y 0.2042501E-15 GRAD(Rho)z 0.4564762E-15 Laplacian 0.5978814E+00 (-1/4)Del**2(Rho)) -0.1494704E+00 Diamond 0.1205037E+01 Metallicity 0.4881124E+01 Ellipticity 0.1686451E-01 Gb(Abramov) 0.2212441E+00 Vb(Abramov) -0.2930179E+00 Hb(Abramov) -0.7177377E-01 Ex_ueg -0.5886662E-01 Ec_ueg -0.8443996E-02 Delta_ex -0.6414145E-01 Delta_ec 0.1505130E-01 Delta_et -0.2000914E+00 Pxc 0.6971418E+01 Qxc -0.4261522E+01 3,-1 115 3 +1 -1.690434 -0.536877 0.512056 Rho 0.8695224E-02 |GRAD(Rho)| 0.2590722E-15 GRAD(Rho)x 0.1941510E-15 GRAD(Rho)y 0.1102256E-15 GRAD(Rho)z -0.1314311E-15 Laplacian 0.3609579E-01 (-1/4)Del**2(Rho)) -0.9023946E-02 Diamond 0.1035725E-02 Metallicity 0.7019259E+00 Ellipticity -0.1441597E+01 Gb(Abramov) 0.7071655E-02 Vb(Abramov) -0.5119363E-02 Hb(Abramov) 0.1952292E-02 Ex_ueg -0.1320564E-02 Ec_ueg -0.3092427E-03 Delta_ex -0.1678088E-02 Delta_ec 0.5516449E-03 Delta_et -0.3745759E-02 Pxc 0.4270315E+01 Qxc -0.3041972E+01 3,+1 116 3 +1 -0.547919 0.539553 -1.693742 Rho 0.8784089E-02 |GRAD(Rho)| 0.1594915E-16 GRAD(Rho)x -0.1277730E-16 GRAD(Rho)y -0.1946983E-17 GRAD(Rho)z -0.9344793E-17 Laplacian 0.3652133E-01 (-1/4)Del**2(Rho)) -0.9130334E-02 Diamond 0.1081055E-02 Metallicity 0.7056041E+00 Ellipticity -0.1463755E+01 Gb(Abramov) 0.7160623E-02 Vb(Abramov) -0.5190911E-02 Hb(Abramov) 0.1969711E-02 Ex_ueg -0.1338589E-02 Ec_ueg -0.3132243E-03 Delta_ex -0.1710298E-02 Delta_ec 0.5726243E-03 Delta_et -0.3887838E-02 Pxc 0.4273581E+01 Qxc -0.2986772E+01 3,+1 117 3 -1 -1.706643 0.503413 1.673985 Rho 0.3757277E-01 |GRAD(Rho)| 0.1399520E-15 GRAD(Rho)x 0.8201312E-16 GRAD(Rho)y 0.2472849E-16 GRAD(Rho)z -0.1106748E-15 Laplacian 0.1481041E+00 (-1/4)Del**2(Rho)) -0.3702602E-01 Diamond 0.4986910E-01 Metallicity 0.1961108E+01 Ellipticity 0.1178948E-01 Gb(Abramov) 0.3678602E-01 Vb(Abramov) -0.3654602E-01 Hb(Abramov) 0.2400029E-03 Ex_ueg -0.9294286E-02 Ec_ueg -0.1740441E-02 Delta_ex -0.1128746E-01 Delta_ec 0.4304487E-02 Delta_et -0.4205179E-01 Pxc 0.5340191E+01 Qxc -0.2622255E+01 3,-1 118 3 +3 0.024615 -2.346912 0.007761 Rho 0.4370960E-02 |GRAD(Rho)| 0.3537786E-17 GRAD(Rho)x 0.1153153E-17 GRAD(Rho)y -0.3269554E-17 GRAD(Rho)z 0.7044054E-18 Laplacian 0.1806393E-01 (-1/4)Del**2(Rho)) -0.4515981E-02 Diamond 0.1574940E-03 Metallicity 0.4457544E+00 Ellipticity -0.2876700E+00 Gb(Abramov) 0.3346157E-02 Vb(Abramov) -0.2176333E-02 Hb(Abramov) 0.1169824E-02 Ex_ueg -0.5278219E-03 Ec_ueg -0.1199439E-03 Delta_ex -0.6596993E-03 Delta_ec 0.1837839E-03 Delta_et -0.1116180E-02 Pxc 0.4400574E+01 Qxc -0.3589538E+01 3,+3 119 3 +1 0.165812 2.902178 -0.141860 Rho 0.5315830E-02 |GRAD(Rho)| 0.7554791E-17 GRAD(Rho)x 0.5898123E-17 GRAD(Rho)y -0.2568807E-18 GRAD(Rho)z 0.4713918E-17 Laplacian 0.2226049E-01 (-1/4)Del**2(Rho)) -0.5565121E-02 Diamond 0.5524134E-03 Metallicity 0.5012222E+00 Ellipticity -0.2702255E+01 Gb(Abramov) 0.4174975E-02 Vb(Abramov) -0.2784828E-02 Hb(Abramov) 0.1390147E-02 Ex_ueg -0.6851933E-03 Ec_ueg -0.1605295E-03 Delta_ex -0.1110347E-02 Delta_ec 0.6837556E-03 Delta_et -0.3789168E-02 Pxc 0.4268334E+01 Qxc -0.1623895E+01 3,+1 120 3 -1 0.062012 3.216531 3.196611 Rho 0.2575355E+00 |GRAD(Rho)| 0.9274752E-08 GRAD(Rho)x -0.1460726E-08 GRAD(Rho)y -0.6559849E-08 GRAD(Rho)z -0.6391845E-08 Laplacian 0.9184403E+00 (-1/4)Del**2(Rho)) -0.2296101E+00 Diamond 0.3538487E+01 Metallicity 0.7821513E+01 Ellipticity 0.1369723E-02 Gb(Abramov) 0.4523898E+00 Vb(Abramov) -0.6751694E+00 Hb(Abramov) -0.2227797E+00 Ex_ueg -0.1210137E+00 Ec_ueg -0.1565971E-01 Delta_ex -0.1130489E+00 Delta_ec 0.1988260E-01 Delta_et -0.2759800E+00 Pxc 0.7727712E+01 Qxc -0.5685821E+01 3,-1 121 3 -1 0.504945 1.688193 -1.697232 Rho 0.4223440E-01 |GRAD(Rho)| 0.1268293E-15 GRAD(Rho)x -0.1694564E-16 GRAD(Rho)y 0.1256459E-15 GRAD(Rho)z -0.3411213E-17 Laplacian 0.1697059E+00 (-1/4)Del**2(Rho)) -0.4242647E-01 Diamond 0.6777390E-01 Metallicity 0.2079825E+01 Ellipticity 0.1082923E-01 Gb(Abramov) 0.4299092E-01 Vb(Abramov) -0.4355537E-01 Hb(Abramov) -0.5644511E-03 Ex_ueg -0.1086276E-01 Ec_ueg -0.1990345E-02 Delta_ex -0.1335799E-01 Delta_ec 0.5003433E-02 Delta_et -0.5044787E-01 Pxc 0.5457727E+01 Qxc -0.2669766E+01 3,-1 122 3 +1 1.222811 -2.088659 1.129418 Rho 0.2425942E-01 |GRAD(Rho)| 0.1312097E-13 GRAD(Rho)x 0.7962802E-14 GRAD(Rho)y -0.1038047E-13 GRAD(Rho)z -0.9997042E-15 Laplacian 0.9657575E-01 (-1/4)Del**2(Rho)) -0.2414394E-01 Diamond 0.1319577E-01 Metallicity 0.1450593E+01 Ellipticity -0.5979984E+01 Gb(Abramov) 0.2193313E-01 Vb(Abramov) -0.1972232E-01 Hb(Abramov) 0.2210806E-02 Ex_ueg -0.5186713E-02 Ec_ueg -0.1051500E-02 Delta_ex -0.6080225E-02 Delta_ec 0.1856172E-02 Delta_et -0.1620947E-01 Pxc 0.4932681E+01 Qxc -0.3275681E+01 3,+1 123 3 +3 2.354217 -0.001870 -0.023102 Rho 0.4280212E-02 |GRAD(Rho)| 0.5349240E-15 GRAD(Rho)x 0.8145715E-16 GRAD(Rho)y 0.1879574E-15 GRAD(Rho)z 0.4941461E-15 Laplacian 0.1767447E-01 (-1/4)Del**2(Rho)) -0.4418619E-02 Diamond 0.1521480E-03 Metallicity 0.4399217E+00 Ellipticity -0.2977703E+00 Gb(Abramov) 0.3269720E-02 Vb(Abramov) -0.2120822E-02 Hb(Abramov) 0.1148899E-02 Ex_ueg -0.5132615E-03 Ec_ueg -0.1160701E-03 Delta_ex -0.6447992E-03 Delta_ec 0.1846531E-03 Delta_et -0.1109507E-02 Pxc 0.4421996E+01 Qxc -0.3491948E+01 3,+3 124 3 -1 0.832139 -2.968064 1.971890 Rho 0.1428884E+00 |GRAD(Rho)| 0.3055764E-15 GRAD(Rho)x -0.2290377E-17 GRAD(Rho)y 0.3030210E-15 GRAD(Rho)z 0.3937009E-16 Laplacian 0.5728490E+00 (-1/4)Del**2(Rho)) -0.1432123E+00 Diamond 0.1100373E+01 Metallicity 0.4697874E+01 Ellipticity 0.2629816E-01 Gb(Abramov) 0.2076070E+00 Vb(Abramov) -0.2720018E+00 Hb(Abramov) -0.6439477E-01 Ex_ueg -0.5517145E-01 Ec_ueg -0.7989836E-02 Delta_ex -0.6084695E-01 Delta_ec 0.1480996E-01 Delta_et -0.1959983E+00 Pxc 0.6905205E+01 Qxc -0.4108516E+01 3,-1 125 3 +1 -1.216594 -1.150052 -2.142566 Rho 0.2405382E-01 |GRAD(Rho)| 0.4012841E-16 GRAD(Rho)x 0.1306583E-16 GRAD(Rho)y 0.1154145E-16 GRAD(Rho)z 0.3614372E-16 Laplacian 0.9605153E-01 (-1/4)Del**2(Rho)) -0.2401288E-01 Diamond 0.1306578E-01 Metallicity 0.1437968E+01 Ellipticity -0.6100765E+01 Gb(Abramov) 0.2176355E-01 Vb(Abramov) -0.1951421E-01 Hb(Abramov) 0.2249337E-02 Ex_ueg -0.5128188E-02 Ec_ueg -0.1041195E-02 Delta_ex -0.6044552E-02 Delta_ec 0.1865301E-02 Delta_et -0.1624937E-01 Pxc 0.4925292E+01 Qxc -0.3240524E+01 3,+1 126 3 -1 0.831801 -1.972639 2.967239 Rho 0.1433988E+00 |GRAD(Rho)| 0.2296667E-15 GRAD(Rho)x 0.7277707E-16 GRAD(Rho)y 0.1388592E-15 GRAD(Rho)z 0.1678345E-15 Laplacian 0.5718952E+00 (-1/4)Del**2(Rho)) -0.1429738E+00 Diamond 0.1102933E+01 Metallicity 0.4733756E+01 Ellipticity 0.2717941E-01 Gb(Abramov) 0.2081164E+00 Vb(Abramov) -0.2732589E+00 Hb(Abramov) -0.6514257E-01 Ex_ueg -0.5543436E-01 Ec_ueg -0.8022289E-02 Delta_ex -0.6079507E-01 Delta_ec 0.1476631E-01 Delta_et -0.1955112E+00 Pxc 0.6910042E+01 Qxc -0.4117146E+01 3,-1 127 3 -1 1.979649 -2.975436 0.845846 Rho 0.1467509E+00 |GRAD(Rho)| 0.8269897E-15 GRAD(Rho)x 0.5143184E-15 GRAD(Rho)y 0.3608902E-15 GRAD(Rho)z -0.5377236E-15 Laplacian 0.5877019E+00 (-1/4)Del**2(Rho)) -0.1469255E+00 Diamond 0.1164605E+01 Metallicity 0.4787301E+01 Ellipticity 0.2793412E-01 Gb(Abramov) 0.2151798E+00 Vb(Abramov) -0.2834340E+00 Hb(Abramov) -0.6825427E-01 Ex_ueg -0.5716886E-01 Ec_ueg -0.8235852E-02 Delta_ex -0.6282192E-01 Delta_ec 0.1507564E-01 Delta_et -0.2002538E+00 Pxc 0.6941463E+01 Qxc -0.4167113E+01 3,-1 128 3 -1 1.824602 -2.793740 -0.567457 Rho 0.1375137E+00 |GRAD(Rho)| 0.4134335E-15 GRAD(Rho)x 0.2601408E-15 GRAD(Rho)y -0.1142071E-15 GRAD(Rho)z 0.3003511E-15 Laplacian 0.5827735E+00 (-1/4)Del**2(Rho)) -0.1456934E+00 Diamond 0.1069762E+01 Metallicity 0.4332016E+01 Ellipticity 0.1128126E-01 Gb(Abramov) 0.2023199E+00 Vb(Abramov) -0.2589465E+00 Hb(Abramov) -0.5662656E-01 Ex_ueg -0.5242194E-01 Ec_ueg -0.7649068E-02 Delta_ex -0.6133450E-01 Delta_ec 0.1522179E-01 Delta_et -0.2003069E+00 Pxc 0.6853376E+01 Qxc -0.4029387E+01 3,-1 129 3 +1 0.497838 0.594595 1.678045 Rho 0.8283128E-02 |GRAD(Rho)| 0.1566381E-13 GRAD(Rho)x 0.5357524E-14 GRAD(Rho)y 0.1389223E-13 GRAD(Rho)z -0.4863928E-14 Laplacian 0.3419276E-01 (-1/4)Del**2(Rho)) -0.8548191E-02 Diamond 0.9187361E-03 Metallicity 0.6833915E+00 Ellipticity -0.1428275E+01 Gb(Abramov) 0.6672421E-02 Vb(Abramov) -0.4796650E-02 Hb(Abramov) 0.1875770E-02 Ex_ueg -0.1237782E-02 Ec_ueg -0.2908247E-03 Delta_ex -0.1570673E-02 Delta_ec 0.5228627E-03 Delta_et -0.3505098E-02 Pxc 0.4256110E+01 Qxc -0.3003988E+01 3,+1 130 3 -1 3.214446 -3.209421 -0.038476 Rho 0.2571875E+00 |GRAD(Rho)| 0.2051364E-15 GRAD(Rho)x -0.1489694E-15 GRAD(Rho)y 0.5421011E-18 GRAD(Rho)z -0.1410276E-15 Laplacian 0.9153974E+00 (-1/4)Del**2(Rho)) -0.2288494E+00 Diamond 0.3520621E+01 Metallicity 0.7829849E+01 Ellipticity 0.1243462E-02 Gb(Abramov) 0.4512089E+00 Vb(Abramov) -0.6735684E+00 Hb(Abramov) -0.2223595E+00 Ex_ueg -0.1207957E+00 Ec_ueg -0.1563532E-01 Delta_ex -0.1126323E+00 Delta_ec 0.1982145E-01 Delta_et -0.2751088E+00 Pxc 0.7725823E+01 Qxc -0.5682344E+01 3,-1 131 3 -1 -1.814170 -0.574944 2.794060 Rho 0.1465681E+00 |GRAD(Rho)| 0.1197990E-15 GRAD(Rho)x 0.8947378E-16 GRAD(Rho)y -0.6753224E-16 GRAD(Rho)z -0.4225678E-16 Laplacian 0.6195956E+00 (-1/4)Del**2(Rho)) -0.1548989E+00 Diamond 0.1224227E+01 Metallicity 0.4531448E+01 Ellipticity 0.9343909E-02 Gb(Abramov) 0.2202520E+00 Vb(Abramov) -0.2856051E+00 Hb(Abramov) -0.6535309E-01 Ex_ueg -0.5707389E-01 Ec_ueg -0.8224183E-02 Delta_ex -0.6619307E-01 Delta_ec 0.1586671E-01 Delta_et -0.2106531E+00 Pxc 0.6939764E+01 Qxc -0.4171820E+01 3,-1 132 3 +1 -1.198952 -2.106475 -1.174055 Rho 0.2612555E-01 |GRAD(Rho)| 0.6416248E-15 GRAD(Rho)x -0.3856524E-15 GRAD(Rho)y -0.5024310E-15 GRAD(Rho)z 0.1025557E-15 Laplacian 0.1067851E+00 (-1/4)Del**2(Rho)) -0.2669627E-01 Diamond 0.1650754E-01 Metallicity 0.1484380E+01 Ellipticity -0.8271508E+01 Gb(Abramov) 0.2440208E-01 Vb(Abramov) -0.2210789E-01 Hb(Abramov) 0.2294190E-02 Ex_ueg -0.5725399E-02 Ec_ueg -0.1145549E-02 Delta_ex -0.6890989E-02 Delta_ec 0.2117084E-02 Delta_et -0.1882853E-01 Pxc 0.4997950E+01 Qxc -0.3254943E+01 3,+1 133 3 -1 -1.964021 -0.866725 -3.026848 Rho 0.1515154E+00 |GRAD(Rho)| 0.6182701E-15 GRAD(Rho)x 0.4331117E-15 GRAD(Rho)y -0.3744021E-15 GRAD(Rho)z -0.2334423E-15 Laplacian 0.5964087E+00 (-1/4)Del**2(Rho)) -0.1491022E+00 Diamond 0.1213662E+01 Metallicity 0.4975429E+01 Ellipticity 0.5887077E-01 Gb(Abramov) 0.2230427E+00 Vb(Abramov) -0.2969832E+00 Hb(Abramov) -0.7394050E-01 Ex_ueg -0.5965692E-01 Ec_ueg -0.8540593E-02 Delta_ex -0.6411248E-01 Delta_ec 0.1492529E-01 Delta_et -0.1985654E+00 Pxc 0.6985103E+01 Qxc -0.4295560E+01 3,-1 134 3 -1 -1.670190 -0.512082 -1.735103 Rho 0.3647315E-01 |GRAD(Rho)| 0.1061560E-13 GRAD(Rho)x -0.9336254E-14 GRAD(Rho)y -0.4981749E-14 GRAD(Rho)z 0.8411487E-15 Laplacian 0.1521911E+00 (-1/4)Del**2(Rho)) -0.3804778E-01 Diamond 0.5151855E-01 Metallicity 0.1816265E+01 Ellipticity 0.1655824E-01 Gb(Abramov) 0.3688266E-01 Vb(Abramov) -0.3571755E-01 Hb(Abramov) 0.1165117E-02 Ex_ueg -0.8933385E-02 Ec_ueg -0.1682085E-02 Delta_ex -0.1166507E-01 Delta_ec 0.4693916E-02 Delta_et -0.4550475E-01 Pxc 0.5310901E+01 Qxc -0.2485146E+01 3,-1 135 3 +1 -1.162647 1.216447 2.087142 Rho 0.2439903E-01 |GRAD(Rho)| 0.9895284E-17 GRAD(Rho)x 0.2472640E-17 GRAD(Rho)y -0.1117047E-17 GRAD(Rho)z 0.9516034E-17 Laplacian 0.9722888E-01 (-1/4)Del**2(Rho)) -0.2430722E-01 Diamond 0.1359585E-01 Metallicity 0.1454696E+01 Ellipticity -0.7057214E+01 Gb(Abramov) 0.2209808E-01 Vb(Abramov) -0.1988894E-01 Hb(Abramov) 0.2209138E-02 Ex_ueg -0.5226551E-02 Ec_ueg -0.1058504E-02 Delta_ex -0.6153614E-02 Delta_ec 0.1909939E-02 Delta_et -0.1669444E-01 Pxc 0.4937676E+01 Qxc -0.3221891E+01 3,+1 136 3 -1 -1.803171 0.559692 -2.807214 Rho 0.1364888E+00 |GRAD(Rho)| 0.2066781E-15 GRAD(Rho)x 0.1935165E-15 GRAD(Rho)y 0.6125742E-16 GRAD(Rho)z 0.3891947E-16 Laplacian 0.5780974E+00 (-1/4)Del**2(Rho)) -0.1445244E+00 Diamond 0.1033338E+01 Metallicity 0.4312942E+01 Ellipticity 0.1646779E-01 Gb(Abramov) 0.2002371E+00 Vb(Abramov) -0.2559498E+00 Hb(Abramov) -0.5571274E-01 Ex_ueg -0.5190162E-01 Ec_ueg -0.7584293E-02 Delta_ex -0.6052485E-01 Delta_ec 0.1475691E-01 Delta_et -0.1932264E+00 Pxc 0.6843303E+01 Qxc -0.4101459E+01 3,-1 137 3 -1 -1.968814 0.842602 2.978546 Rho 0.1443427E+00 |GRAD(Rho)| 0.5370726E-13 GRAD(Rho)x 0.4322085E-13 GRAD(Rho)y 0.2087534E-13 GRAD(Rho)z -0.2409664E-13 Laplacian 0.5765728E+00 (-1/4)Del**2(Rho)) -0.1441432E+00 Diamond 0.1119205E+01 Metallicity 0.4746976E+01 Ellipticity 0.2754738E-01 Gb(Abramov) 0.2101362E+00 Vb(Abramov) -0.2761292E+00 Hb(Abramov) -0.6599300E-01 Ex_ueg -0.5592142E-01 Ec_ueg -0.8082355E-02 Delta_ex -0.6137436E-01 Delta_ec 0.1483425E-01 Delta_et -0.1965384E+00 Pxc 0.6918951E+01 Qxc -0.4137341E+01 3,-1 138 3 -1 -0.824710 -1.996673 -2.987431 Rho 0.1281433E+00 |GRAD(Rho)| 0.1539335E-15 GRAD(Rho)x -0.1481427E-15 GRAD(Rho)y 0.4139619E-16 GRAD(Rho)z 0.5969888E-17 Laplacian 0.5118356E+00 (-1/4)Del**2(Rho)) -0.1279589E+00 Diamond 0.8651082E+00 Metallicity 0.4385061E+01 Ellipticity 0.1729211E-01 Gb(Abramov) 0.1788239E+00 Vb(Abramov) -0.2296888E+00 Hb(Abramov) -0.5086496E-01 Ex_ueg -0.4771403E-01 Ec_ueg -0.7059422E-02 Delta_ex -0.5298262E-01 Delta_ec 0.1363939E-01 Delta_et -0.1775366E+00 Pxc 0.6758914E+01 Qxc -0.3884531E+01 3,-1 139 3 -1 -0.469830 -1.699523 -1.690177 Rho 0.4041637E-01 |GRAD(Rho)| 0.2850227E-13 GRAD(Rho)x 0.8915951E-14 GRAD(Rho)y -0.1938918E-13 GRAD(Rho)z -0.1889298E-13 Laplacian 0.1607755E+00 (-1/4)Del**2(Rho)) -0.4019387E-01 Diamond 0.6032502E-01 Metallicity 0.2040119E+01 Ellipticity 0.2485681E-01 Gb(Abramov) 0.4046262E-01 Vb(Abramov) -0.4073138E-01 Hb(Abramov) -0.2687579E-03 Ex_ueg -0.1024381E-01 Ec_ueg -0.1892412E-02 Delta_ex -0.1250845E-01 Delta_ec 0.4725880E-02 Delta_et -0.4708956E-01 Pxc 0.5413096E+01 Qxc -0.2646797E+01 3,-1 140 3 +3 -1.109586 -1.082463 1.109198 Rho 0.4947176E-02 |GRAD(Rho)| 0.2106996E-15 GRAD(Rho)x 0.3902195E-16 GRAD(Rho)y 0.1342146E-15 GRAD(Rho)z -0.1576643E-15 Laplacian 0.2028786E-01 (-1/4)Del**2(Rho)) -0.5071964E-02 Diamond 0.1490789E-03 Metallicity 0.4878720E+00 Ellipticity -0.6512125E-01 Gb(Abramov) 0.3793721E-02 Vb(Abramov) -0.2515478E-02 Hb(Abramov) 0.1278243E-02 Ex_ueg -0.6225796E-03 Ec_ueg -0.1446403E-03 Delta_ex -0.7077667E-03 Delta_ec 0.1052571E-03 Delta_et -0.7857955E-03 Pxc 0.4304331E+01 Qxc -0.6724168E+01 3,+3 141 3 +1 -1.758363 -1.743773 1.754133 Rho 0.1242787E-01 |GRAD(Rho)| 0.4038932E-16 GRAD(Rho)x -0.2684724E-16 GRAD(Rho)y -0.8964302E-17 GRAD(Rho)z -0.2881257E-16 Laplacian 0.6293283E-01 (-1/4)Del**2(Rho)) -0.1573321E-01 Diamond 0.2635660E-02 Metallicity 0.7301250E+00 Ellipticity -0.1242011E+01 Gb(Abramov) 0.1240334E-01 Vb(Abramov) -0.9073472E-02 Hb(Abramov) 0.3329868E-02 Ex_ueg -0.2126086E-02 Ec_ueg -0.4793570E-03 Delta_ex -0.3119366E-02 Delta_ec 0.8118334E-03 Delta_et -0.6143490E-02 Pxc 0.4435287E+01 Qxc -0.3842372E+01 3,+1 142 3 -1 -0.586519 -1.807147 2.784074 Rho 0.1420351E+00 |GRAD(Rho)| 0.9416676E-12 GRAD(Rho)x 0.6178550E-12 GRAD(Rho)y -0.6964960E-12 GRAD(Rho)z -0.1410189E-12 Laplacian 0.6013274E+00 (-1/4)Del**2(Rho)) -0.1503319E+00 Diamond 0.1146438E+01 Metallicity 0.4430929E+01 Ellipticity 0.7800850E-02 Gb(Abramov) 0.2112395E+00 Vb(Abramov) -0.2721472E+00 Hb(Abramov) -0.6090768E-01 Ex_ueg -0.5473257E-01 Ec_ueg -0.7935609E-02 Delta_ex -0.6377484E-01 Delta_ec 0.1556212E-01 Delta_et -0.2057539E+00 Pxc 0.6897085E+01 Qxc -0.4098082E+01 3,-1 143 3 -1 0.084353 -3.218498 -3.182619 Rho 0.2563393E+00 |GRAD(Rho)| 0.1778065E-10 GRAD(Rho)x 0.2953554E-11 GRAD(Rho)y -0.1241258E-10 GRAD(Rho)z -0.1238370E-10 Laplacian 0.9211009E+00 (-1/4)Del**2(Rho)) -0.2302752E+00 Diamond 0.3521039E+01 Metallicity 0.7738641E+01 Ellipticity 0.2592567E-02 Gb(Abramov) 0.4505197E+00 Vb(Abramov) -0.6707642E+00 Hb(Abramov) -0.2202445E+00 Ex_ueg -0.1202649E+00 Ec_ueg -0.1557591E-01 Delta_ex -0.1131993E+00 Delta_ec 0.1990030E-01 Delta_et -0.2758780E+00 Pxc 0.7721209E+01 Qxc -0.5688320E+01 3,-1 144 3 -1 0.596847 -2.798501 -1.801638 Rho 0.1508761E+00 |GRAD(Rho)| 0.4620860E-13 GRAD(Rho)x 0.4478026E-13 GRAD(Rho)y 0.1081228E-13 GRAD(Rho)z -0.3613592E-14 Laplacian 0.6390011E+00 (-1/4)Del**2(Rho)) -0.1597503E+00 Diamond 0.1307026E+01 Metallicity 0.4611181E+01 Ellipticity 0.1060851E-01 Gb(Abramov) 0.2292731E+00 Vb(Abramov) -0.2987959E+00 Hb(Abramov) -0.6952281E-01 Ex_ueg -0.5932151E-01 Ec_ueg -0.8499619E-02 Delta_ex -0.6875070E-01 Delta_ec 0.1624243E-01 Delta_et -0.2165166E+00 Pxc 0.6979314E+01 Qxc -0.4232784E+01 3,-1 145 3 +1 0.052172 -2.902597 0.042171 Rho 0.4956641E-02 |GRAD(Rho)| 0.1913413E-14 GRAD(Rho)x -0.1284585E-14 GRAD(Rho)y -0.5391094E-15 GRAD(Rho)z -0.1311622E-14 Laplacian 0.2025944E-01 (-1/4)Del**2(Rho)) -0.5064860E-02 Diamond 0.5155239E-03 Metallicity 0.4901152E+00 Ellipticity -0.1254067E+02 Gb(Abramov) 0.3790301E-02 Vb(Abramov) -0.2515742E-02 Hb(Abramov) 0.1274559E-02 Ex_ueg -0.6241683E-03 Ec_ueg -0.1450474E-03 Delta_ex -0.1051217E-02 Delta_ec 0.7194197E-03 Delta_et -0.3863878E-02 Pxc 0.4303203E+01 Qxc -0.1461202E+01 3,+1 146 3 -1 -0.069705 -3.196798 3.191029 Rho 0.2567473E+00 |GRAD(Rho)| 0.9223841E-08 GRAD(Rho)x -0.1555505E-08 GRAD(Rho)y -0.6453352E-08 GRAD(Rho)z 0.6404210E-08 Laplacian 0.9194903E+00 (-1/4)Del**2(Rho)) -0.2298726E+00 Diamond 0.3522830E+01 Metallicity 0.7772772E+01 Ellipticity 0.9602270E-03 Gb(Abramov) 0.4510396E+00 Vb(Abramov) -0.6722066E+00 Hb(Abramov) -0.2211670E+00 Ex_ueg -0.1205201E+00 Ec_ueg -0.1560448E-01 Delta_ex -0.1130545E+00 Delta_ec 0.1986631E-01 Delta_et -0.2754636E+00 Pxc 0.7723430E+01 Qxc -0.5690767E+01 3,-1 147 3 -1 0.584073 -1.819912 -2.777520 Rho 0.1464097E+00 |GRAD(Rho)| 0.6102556E-15 GRAD(Rho)x -0.4814942E-15 GRAD(Rho)y -0.3681951E-15 GRAD(Rho)z 0.7076452E-16 Laplacian 0.6146348E+00 (-1/4)Del**2(Rho)) -0.1536587E+00 Diamond 0.1210377E+01 Metallicity 0.4559799E+01 Ellipticity 0.9326099E-02 Gb(Abramov) 0.2192146E+00 Vb(Abramov) -0.2847705E+00 Hb(Abramov) -0.6555588E-01 Ex_ueg -0.5699167E-01 Ec_ueg -0.8214079E-02 Delta_ex -0.6562027E-01 Delta_ec 0.1569846E-01 Delta_et -0.2082860E+00 Pxc 0.6938292E+01 Qxc -0.4180046E+01 3,-1 148 3 -1 1.969465 -0.836645 2.971027 Rho 0.1446534E+00 |GRAD(Rho)| 0.3608098E-15 GRAD(Rho)x 0.2173690E-15 GRAD(Rho)y 0.1697590E-15 GRAD(Rho)z 0.2326291E-15 Laplacian 0.5777897E+00 (-1/4)Del**2(Rho)) -0.1444474E+00 Diamond 0.1125169E+01 Metallicity 0.4753985E+01 Ellipticity 0.3010659E-01 Gb(Abramov) 0.2107484E+00 Vb(Abramov) -0.2770494E+00 Hb(Abramov) -0.6630100E-01 Ex_ueg -0.5608197E-01 Ec_ueg -0.8102138E-02 Delta_ex -0.6154355E-01 Delta_ec 0.1487082E-01 Delta_et -0.1971134E+00 Pxc 0.6921873E+01 Qxc -0.4138544E+01 3,-1 149 3 -1 1.822202 -0.583792 -2.782652 Rho 0.1301648E+00 |GRAD(Rho)| 0.1517450E-13 GRAD(Rho)x -0.1335320E-13 GRAD(Rho)y -0.2133723E-14 GRAD(Rho)z 0.6885121E-14 Laplacian 0.5473228E+00 (-1/4)Del**2(Rho)) -0.1368307E+00 Diamond 0.9253072E+00 Metallicity 0.4209130E+01 Ellipticity 0.7108040E-02 Gb(Abramov) 0.1872102E+00 Vb(Abramov) -0.2375896E+00 Hb(Abramov) -0.5037947E-01 Ex_ueg -0.4872029E-01 Ec_ueg -0.7186143E-02 Delta_ex -0.5666080E-01 Delta_ec 0.1415825E-01 Delta_et -0.1840802E+00 Pxc 0.6779756E+01 Qxc -0.4001963E+01 3,-1 150 3 +3 1.853448 1.822321 -1.856298 Rho 0.1223045E-01 |GRAD(Rho)| 0.1231524E-16 GRAD(Rho)x -0.6737943E-17 GRAD(Rho)y -0.6405584E-18 GRAD(Rho)z -0.1028859E-16 Laplacian 0.5597321E-01 (-1/4)Del**2(Rho)) -0.1399330E-01 Diamond 0.1253475E-02 Metallicity 0.7992892E+00 Ellipticity -0.6877687E+00 Gb(Abramov) 0.1119298E-01 Vb(Abramov) -0.8392666E-02 Hb(Abramov) 0.2800318E-02 Ex_ueg -0.2081175E-02 Ec_ueg -0.4702180E-03 Delta_ex -0.2469729E-02 Delta_ec 0.1990286E-03 Delta_et -0.1900555E-02 Pxc 0.4425978E+01 Qxc -0.1240891E+02 3,+3 151 3 -1 1.809771 0.587059 2.788242 Rho 0.1425603E+00 |GRAD(Rho)| 0.9902582E-16 GRAD(Rho)x 0.3457250E-16 GRAD(Rho)y 0.8668196E-16 GRAD(Rho)z 0.3312238E-16 Laplacian 0.6039030E+00 (-1/4)Del**2(Rho)) -0.1509757E+00 Diamond 0.1156060E+01 Metallicity 0.4439256E+01 Ellipticity 0.8080484E-02 Gb(Abramov) 0.2123538E+00 Vb(Abramov) -0.2737319E+00 Hb(Abramov) -0.6137807E-01 Ex_ueg -0.5500258E-01 Ec_ueg -0.7968978E-02 Delta_ex -0.6410134E-01 Delta_ec 0.1560700E-01 Delta_et -0.2064448E+00 Pxc 0.6902087E+01 Qxc -0.4107217E+01 3,-1 152 3 -1 2.978889 0.822233 -1.987488 Rho 0.1351429E+00 |GRAD(Rho)| 0.2230159E-12 GRAD(Rho)x -0.5321440E-13 GRAD(Rho)y -0.1652978E-12 GRAD(Rho)z -0.1399319E-12 Laplacian 0.5367058E+00 (-1/4)Del**2(Rho)) -0.1341764E+00 Diamond 0.9516781E+00 Metallicity 0.4569465E+01 Ellipticity 0.4380216E-01 Gb(Abramov) 0.1916367E+00 Vb(Abramov) -0.2490970E+00 Hb(Abramov) -0.5746028E-01 Ex_ueg -0.5122035E-01 Ec_ueg -0.7499338E-02 Delta_ex -0.5609804E-01 Delta_ec 0.1380864E-01 Delta_et -0.1806895E+00 Pxc 0.6829983E+01 Qxc -0.4062531E+01 3,-1 153 3 -1 2.778900 0.575235 1.808853 Rho 0.1428862E+00 |GRAD(Rho)| 0.8786908E-13 GRAD(Rho)x -0.2169325E-13 GRAD(Rho)y 0.8490736E-13 GRAD(Rho)z 0.6412473E-14 Laplacian 0.6035400E+00 (-1/4)Del**2(Rho)) -0.1508850E+00 Diamond 0.1157544E+01 Metallicity 0.4458864E+01 Ellipticity 0.7693604E-02 Gb(Abramov) 0.2127193E+00 Vb(Abramov) -0.2745536E+00 Hb(Abramov) -0.6183428E-01 Ex_ueg -0.5517031E-01 Ec_ueg -0.7989694E-02 Delta_ex -0.6408793E-01 Delta_ec 0.1557006E-01 Delta_et -0.2059859E+00 Pxc 0.6905184E+01 Qxc -0.4116101E+01 3,-1 154 3 -1 -3.167887 0.044797 -3.236601 Rho 0.2461554E+00 |GRAD(Rho)| 0.5194404E-15 GRAD(Rho)x -0.4390477E-15 GRAD(Rho)y 0.9755109E-16 GRAD(Rho)z -0.2598833E-15 Laplacian 0.8672791E+00 (-1/4)Del**2(Rho)) -0.2168198E+00 Diamond 0.3187819E+01 Metallicity 0.7681924E+01 Ellipticity 0.3253091E-02 Gb(Abramov) 0.4221454E+00 Vb(Abramov) -0.6274709E+00 Hb(Abramov) -0.2053256E+00 Ex_ueg -0.1139369E+00 Ec_ueg -0.1486566E-01 Delta_ex -0.1056128E+00 Delta_ec 0.1924954E-01 Delta_et -0.2679169E+00 Pxc 0.7664435E+01 Qxc -0.5486514E+01 3,-1 155 3 -1 -3.201907 -0.049602 3.211606 Rho 0.2571842E+00 |GRAD(Rho)| 0.4498876E-13 GRAD(Rho)x 0.3179011E-13 GRAD(Rho)y 0.7442912E-14 GRAD(Rho)z -0.3095126E-13 Laplacian 0.9188302E+00 (-1/4)Del**2(Rho)) -0.2297076E+00 Diamond 0.3531763E+01 Metallicity 0.7800426E+01 Ellipticity 0.1209031E-02 Gb(Abramov) 0.4517745E+00 Vb(Abramov) -0.6738415E+00 Hb(Abramov) -0.2220670E+00 Ex_ueg -0.1207936E+00 Ec_ueg -0.1563509E-01 Delta_ex -0.1130446E+00 Delta_ec 0.1987849E-01 Delta_et -0.2758168E+00 Pxc 0.7725805E+01 Qxc -0.5686778E+01 3,-1 156 3 -1 -2.749216 0.552475 -1.834798 Rho 0.1007947E+00 |GRAD(Rho)| 0.2877850E-15 GRAD(Rho)x -0.4671895E-16 GRAD(Rho)y 0.1840941E-15 GRAD(Rho)z 0.2162102E-15 Laplacian 0.4158585E+00 (-1/4)Del**2(Rho)) -0.1039646E+00 Diamond 0.5237558E+00 Metallicity 0.3617404E+01 Ellipticity 0.2050062E-01 Gb(Abramov) 0.1319901E+00 Vb(Abramov) -0.1600155E+00 Hb(Abramov) -0.2802546E-01 Ex_ueg -0.3464457E-01 Ec_ueg -0.5373216E-02 Delta_ex -0.4062808E-01 Delta_ec 0.1162372E-01 Delta_et -0.1446759E+00 Pxc 0.6447642E+01 Qxc -0.3495275E+01 3,-1 157 3 -1 -0.835400 -2.971061 -1.977634 Rho 0.1451174E+00 |GRAD(Rho)| 0.1484129E-11 GRAD(Rho)x 0.1613246E-12 GRAD(Rho)y -0.1436313E-11 GRAD(Rho)z -0.3370722E-12 Laplacian 0.5793363E+00 (-1/4)Del**2(Rho)) -0.1448341E+00 Diamond 0.1131889E+01 Metallicity 0.4766667E+01 Ellipticity 0.3167033E-01 Gb(Abramov) 0.2116187E+00 Vb(Abramov) -0.2784033E+00 Hb(Abramov) -0.6678460E-01 Ex_ueg -0.5632194E-01 Ec_ueg -0.8131692E-02 Delta_ex -0.6174994E-01 Delta_ec 0.1488702E-01 Delta_et -0.1973946E+00 Pxc 0.6926227E+01 Qxc -0.4147905E+01 3,-1 158 3 +3 -1.835673 -1.820649 -1.868824 Rho 0.1219416E-01 |GRAD(Rho)| 0.1520722E-12 GRAD(Rho)x -0.5605270E-13 GRAD(Rho)y -0.5493385E-13 GRAD(Rho)z 0.1302548E-12 Laplacian 0.5571591E-01 (-1/4)Del**2(Rho)) -0.1392898E-01 Diamond 0.1230734E-02 Metallicity 0.7990125E+00 Ellipticity -0.6973509E+00 Gb(Abramov) 0.1114089E-01 Vb(Abramov) -0.8352802E-02 Hb(Abramov) 0.2788088E-02 Ex_ueg -0.2072943E-02 Ec_ueg -0.4685394E-03 Delta_ex -0.2452882E-02 Delta_ec 0.1921626E-03 Delta_et -0.1851123E-02 Pxc 0.4424267E+01 Qxc -0.1276462E+02 3,+3 159 3 -1 0.866315 2.968818 -1.985286 Rho 0.1463155E+00 |GRAD(Rho)| 0.1582380E-14 GRAD(Rho)x -0.1177674E-14 GRAD(Rho)y -0.7280689E-15 GRAD(Rho)z -0.7661108E-15 Laplacian 0.5837759E+00 (-1/4)Del**2(Rho)) -0.1459440E+00 Diamond 0.1153440E+01 Metallicity 0.4795687E+01 Ellipticity 0.3109592E-01 Gb(Abramov) 0.2139462E+00 Vb(Abramov) -0.2819485E+00 Hb(Abramov) -0.6800227E-01 Ex_ueg -0.5694279E-01 Ec_ueg -0.8208070E-02 Delta_ex -0.6236446E-01 Delta_ec 0.1499943E-01 Delta_et -0.1991859E+00 Pxc 0.6937415E+01 Qxc -0.4157790E+01 3,-1 160 3 -1 0.582656 2.786162 1.811087 Rho 0.1445235E+00 |GRAD(Rho)| 0.8967202E-15 GRAD(Rho)x -0.7017499E-16 GRAD(Rho)y -0.8453660E-15 GRAD(Rho)z 0.2907559E-15 Laplacian 0.6104187E+00 (-1/4)Del**2(Rho)) -0.1526047E+00 Diamond 0.1183972E+01 Metallicity 0.4493134E+01 Ellipticity 0.9811620E-02 Gb(Abramov) 0.2160153E+00 Vb(Abramov) -0.2794260E+00 Hb(Abramov) -0.6341066E-01 Ex_ueg -0.5601482E-01 Ec_ueg -0.8093865E-02 Delta_ex -0.6496859E-01 Delta_ec 0.1564948E-01 Delta_et -0.2072670E+00 Pxc 0.6920652E+01 Qxc -0.4151485E+01 3,-1 161 3 +1 2.105394 1.039639 -1.332090 Rho 0.2448039E-01 |GRAD(Rho)| 0.9799487E-14 GRAD(Rho)x 0.5897986E-14 GRAD(Rho)y -0.3616720E-14 GRAD(Rho)z -0.6939959E-14 Laplacian 0.9776440E-01 (-1/4)Del**2(Rho)) -0.2444110E-01 Diamond 0.1288893E-01 Metallicity 0.1454777E+01 Ellipticity -0.3988545E+01 Gb(Abramov) 0.2222012E-01 Vb(Abramov) -0.1999915E-01 Hb(Abramov) 0.2220976E-02 Ex_ueg -0.5249801E-02 Ec_ueg -0.1062588E-02 Delta_ex -0.6098563E-02 Delta_ec 0.1752076E-02 Delta_et -0.1536357E-01 Pxc 0.4940579E+01 Qxc -0.3480764E+01 3,+1 162 3 -1 1.993536 0.821896 -2.979476 Rho 0.1235667E+00 |GRAD(Rho)| 0.1833272E-15 GRAD(Rho)x 0.9574183E-16 GRAD(Rho)y -0.1044290E-15 GRAD(Rho)z -0.1163484E-15 Laplacian 0.4895345E+00 (-1/4)Del**2(Rho)) -0.1223836E+00 Diamond 0.7812031E+00 Metallicity 0.4315183E+01 Ellipticity 0.3051344E-01 Gb(Abramov) 0.1696070E+00 Vb(Abramov) -0.2168304E+00 Hb(Abramov) -0.4722341E-01 Ex_ueg -0.4545558E-01 Ec_ueg -0.6773559E-02 Delta_ex -0.5009514E-01 Delta_ec 0.1290804E-01 Delta_et -0.1665601E+00 Pxc 0.6710738E+01 Qxc -0.3880924E+01 3,-1 163 3 +1 -2.096752 -1.061072 -1.319367 Rho 0.2479243E-01 |GRAD(Rho)| 0.3631668E-16 GRAD(Rho)x 0.3498709E-16 GRAD(Rho)y 0.7055346E-17 GRAD(Rho)z 0.6710237E-17 Laplacian 0.9937917E-01 (-1/4)Del**2(Rho)) -0.2484479E-01 Diamond 0.1364076E-01 Metallicity 0.1461671E+01 Ellipticity -0.4709204E+01 Gb(Abramov) 0.2261568E-01 Vb(Abramov) -0.2038657E-01 Hb(Abramov) 0.2229111E-02 Ex_ueg -0.5339213E-02 Ec_ueg -0.1078269E-02 Delta_ex -0.6254011E-02 Delta_ec 0.1841560E-02 Delta_et -0.1618576E-01 Pxc 0.4951651E+01 Qxc -0.3396041E+01 3,+1 164 3 -1 1.686647 -1.677527 0.505188 Rho 0.3529663E-01 |GRAD(Rho)| 0.4870293E-15 GRAD(Rho)x -0.1023083E-15 GRAD(Rho)y -0.3656642E-15 GRAD(Rho)z 0.3049922E-15 Laplacian 0.1373729E+00 (-1/4)Del**2(Rho)) -0.3434322E-01 Diamond 0.4216284E-01 Metallicity 0.1905172E+01 Ellipticity 0.1267493E-01 Gb(Abramov) 0.3380044E-01 Vb(Abramov) -0.3325765E-01 Hb(Abramov) 0.5427831E-03 Ex_ueg -0.8551245E-02 Ec_ueg -0.1619912E-02 Delta_ex -0.1028685E-01 Delta_ec 0.3954535E-02 Delta_et -0.3798270E-01 Pxc 0.5278832E+01 Qxc -0.2601279E+01 3,-1 165 3 -1 2.793089 -0.595214 -1.820954 Rho 0.1361432E+00 |GRAD(Rho)| 0.1633298E-15 GRAD(Rho)x 0.8823373E-16 GRAD(Rho)y 0.1004920E-15 GRAD(Rho)z -0.9376994E-16 Laplacian 0.5761354E+00 (-1/4)Del**2(Rho)) -0.1440338E+00 Diamond 0.1027778E+01 Metallicity 0.4309385E+01 Ellipticity 0.1308930E-01 Gb(Abramov) 0.1994721E+00 Vb(Abramov) -0.2549104E+00 Hb(Abramov) -0.5543826E-01 Ex_ueg -0.5172649E-01 Ec_ueg -0.7562470E-02 Delta_ex -0.6029442E-01 Delta_ec 0.1473773E-01 Delta_et -0.1929457E+00 Pxc 0.6839894E+01 Qxc -0.4091161E+01 3,-1 166 3 -1 -2.964509 0.848466 1.986876 Rho 0.1395482E+00 |GRAD(Rho)| 0.6685651E-15 GRAD(Rho)x -0.3360823E-15 GRAD(Rho)y 0.4392103E-15 GRAD(Rho)z -0.3756625E-15 Laplacian 0.5600162E+00 (-1/4)Del**2(Rho)) -0.1400041E+00 Diamond 0.1046952E+01 Metallicity 0.4619760E+01 Ellipticity 0.3970573E-01 Gb(Abramov) 0.2011336E+00 Vb(Abramov) -0.2622631E+00 Hb(Abramov) -0.6112951E-01 Ex_ueg -0.5345856E-01 Ec_ueg -0.7777841E-02 Delta_ex -0.5915724E-01 Delta_ec 0.1458852E-01 Delta_et -0.1924353E+00 Pxc 0.6873188E+01 Qxc -0.4055054E+01 3,-1 167 3 -1 0.358655 0.377068 -0.380580 Rho 0.2047914E+00 |GRAD(Rho)| 0.8895966E-15 GRAD(Rho)x -0.2768314E-15 GRAD(Rho)y -0.6462924E-15 GRAD(Rho)z 0.5450253E-15 Laplacian 0.7500217E+00 (-1/4)Del**2(Rho)) -0.1875054E+00 Diamond 0.2454571E+01 Metallicity 0.6537204E+01 Ellipticity 0.4515978E-02 Gb(Abramov) 0.3292972E+00 Vb(Abramov) -0.4710889E+00 Hb(Abramov) -0.1417917E+00 Ex_ueg -0.8915258E-01 Ec_ueg -0.1203930E-01 Delta_ex -0.8870123E-01 Delta_ec 0.2042414E-01 Delta_et -0.2915719E+00 Pxc 0.7405132E+01 Qxc -0.4342960E+01 3,-1 168 3 -1 -0.382072 0.378359 0.328102 Rho 0.1977566E+00 |GRAD(Rho)| 0.4708136E-15 GRAD(Rho)x -0.2881140E-15 GRAD(Rho)y 0.2209083E-15 GRAD(Rho)z 0.2997588E-15 Laplacian 0.6771898E+00 (-1/4)Del**2(Rho)) -0.1692974E+00 Diamond 0.2139516E+01 Metallicity 0.6830530E+01 Ellipticity 0.1253576E-01 Gb(Abramov) 0.3055968E+00 Vb(Abramov) -0.4418963E+00 Hb(Abramov) -0.1362994E+00 Ex_ueg -0.8509284E-01 Ec_ueg -0.1156803E-01 Delta_ex -0.7949577E-01 Delta_ec 0.1878312E-01 Delta_et -0.2674604E+00 Pxc 0.7355865E+01 Qxc -0.4232298E+01 3,-1 169 3 -1 0.585318 1.821456 2.789685 Rho 0.1461636E+00 |GRAD(Rho)| 0.3432492E-15 GRAD(Rho)x -0.1777685E-15 GRAD(Rho)y 0.2881809E-15 GRAD(Rho)z -0.5630397E-16 Laplacian 0.6165667E+00 (-1/4)Del**2(Rho)) -0.1541417E+00 Diamond 0.1214662E+01 Metallicity 0.4532787E+01 Ellipticity 0.9618233E-02 Gb(Abramov) 0.2192097E+00 Vb(Abramov) -0.2842777E+00 Hb(Abramov) -0.6506802E-01 Ex_ueg -0.5686402E-01 Ec_ueg -0.8198386E-02 Delta_ex -0.6582963E-01 Delta_ec 0.1580828E-01 Delta_et -0.2098123E+00 Pxc 0.6936002E+01 Qxc -0.4164249E+01 3,-1 170 3 -1 -1.683139 -1.676688 -0.500299 Rho 0.4013831E-01 |GRAD(Rho)| 0.6239320E-16 GRAD(Rho)x 0.4215831E-16 GRAD(Rho)y 0.4391400E-16 GRAD(Rho)z -0.1368022E-16 Laplacian 0.1594872E+00 (-1/4)Del**2(Rho)) -0.3987181E-01 Diamond 0.5909364E-01 Metallicity 0.2033070E+01 Ellipticity 0.1090450E-01 Gb(Abramov) 0.4009157E-01 Vb(Abramov) -0.4031133E-01 Hb(Abramov) -0.2197625E-03 Ex_ueg -0.1014995E-01 Ec_ueg -0.1877486E-02 Delta_ex -0.1237604E-01 Delta_ec 0.4668754E-02 Delta_et -0.4643192E-01 Pxc 0.5406138E+01 Qxc -0.2650822E+01 3,-1 171 3 -1 -1.984624 -2.949472 -0.848901 Rho 0.1411600E+00 |GRAD(Rho)| 0.1036180E-15 GRAD(Rho)x 0.4283954E-16 GRAD(Rho)y -0.2679335E-16 GRAD(Rho)z 0.9046312E-16 Laplacian 0.5626351E+00 (-1/4)Del**2(Rho)) -0.1406588E+00 Diamond 0.1065988E+01 Metallicity 0.4687118E+01 Ellipticity 0.2525899E-01 Gb(Abramov) 0.2036532E+00 Vb(Abramov) -0.2666477E+00 Hb(Abramov) -0.6299446E-01 Ex_ueg -0.5428344E-01 Ec_ueg -0.7880052E-02 Delta_ex -0.5959501E-01 Delta_ec 0.1460683E-01 Delta_et -0.1929949E+00 Pxc 0.6888716E+01 Qxc -0.4079941E+01 3,-1 172 3 -1 1.986086 2.970997 -0.843699 Rho 0.1424958E+00 |GRAD(Rho)| 0.3010284E-15 GRAD(Rho)x 0.7936360E-16 GRAD(Rho)y 0.9771372E-17 GRAD(Rho)z 0.2902138E-15 Laplacian 0.5695558E+00 (-1/4)Del**2(Rho)) -0.1423889E+00 Diamond 0.1091047E+01 Metallicity 0.4703418E+01 Ellipticity 0.2804628E-01 Gb(Abramov) 0.2065451E+00 Vb(Abramov) -0.2707012E+00 Hb(Abramov) -0.6415615E-01 Ex_ueg -0.5496941E-01 Ec_ueg -0.7964880E-02 Delta_ex -0.6046308E-01 Delta_ec 0.1474633E-01 Delta_et -0.1951008E+00 Pxc 0.6901474E+01 Qxc -0.4100213E+01 3,-1 173 3 -1 1.811673 2.779017 0.575312 Rho 0.1420507E+00 |GRAD(Rho)| 0.2973411E-15 GRAD(Rho)x -0.1373007E-15 GRAD(Rho)y -0.7921452E-17 GRAD(Rho)z 0.2636238E-15 Laplacian 0.6002375E+00 (-1/4)Del**2(Rho)) -0.1500594E+00 Diamond 0.1142870E+01 Metallicity 0.4439792E+01 Ellipticity 0.8112139E-02 Gb(Abramov) 0.2110783E+00 Vb(Abramov) -0.2720972E+00 Hb(Abramov) -0.6101893E-01 Ex_ueg -0.5474063E-01 Ec_ueg -0.7936605E-02 Delta_ex -0.6364338E-01 Delta_ec 0.1550210E-01 Delta_et -0.2048973E+00 Pxc 0.6897234E+01 Qxc -0.4105469E+01 3,-1 174 3 -1 -0.361516 -0.360471 -0.385474 Rho 0.2043232E+00 |GRAD(Rho)| 0.5518410E-14 GRAD(Rho)x 0.2766120E-14 GRAD(Rho)y 0.4724542E-14 GRAD(Rho)z 0.6929166E-15 Laplacian 0.7448214E+00 (-1/4)Del**2(Rho)) -0.1862054E+00 Diamond 0.2430617E+01 Metallicity 0.6557786E+01 Ellipticity 0.3262148E-02 Gb(Abramov) 0.3276527E+00 Vb(Abramov) -0.4691001E+00 Hb(Abramov) -0.1414474E+00 Ex_ueg -0.8888095E-01 Ec_ueg -0.1200785E-01 Delta_ex -0.8803451E-01 Delta_ec 0.2029155E-01 Delta_et -0.2895869E+00 Pxc 0.7401905E+01 Qxc -0.4338482E+01 3,-1 175 3 -1 2.974999 1.971391 -0.844839 Rho 0.1422177E+00 |GRAD(Rho)| 0.2632584E-13 GRAD(Rho)x -0.9301601E-14 GRAD(Rho)y 0.1592473E-13 GRAD(Rho)z 0.1878651E-13 Laplacian 0.5642397E+00 (-1/4)Del**2(Rho)) -0.1410599E+00 Diamond 0.1079586E+01 Metallicity 0.4732298E+01 Ellipticity 0.2741411E-01 Gb(Abramov) 0.2052962E+00 Vb(Abramov) -0.2695325E+00 Hb(Abramov) -0.6423629E-01 Ex_ueg -0.5482640E-01 Ec_ueg -0.7947208E-02 Delta_ex -0.5988364E-01 Delta_ec 0.1463963E-01 Delta_et -0.1936832E+00 Pxc 0.6898826E+01 Qxc -0.4090518E+01 3,-1 176 3 -1 -1.813624 -2.761764 0.569385 Rho 0.1435979E+00 |GRAD(Rho)| 0.7114893E-15 GRAD(Rho)x -0.5345117E-15 GRAD(Rho)y 0.6037651E-16 GRAD(Rho)z -0.4656919E-15 Laplacian 0.6064526E+00 (-1/4)Del**2(Rho)) -0.1516132E+00 Diamond 0.1169799E+01 Metallicity 0.4474349E+01 Ellipticity 0.9253406E-02 Gb(Abramov) 0.2141371E+00 Vb(Abramov) -0.2766611E+00 Hb(Abramov) -0.6252399E-01 Ex_ueg -0.5553703E-01 Ec_ueg -0.8034957E-02 Delta_ex -0.6447224E-01 Delta_ec 0.1562064E-01 Delta_et -0.2067950E+00 Pxc 0.6911926E+01 Qxc -0.4127376E+01 3,-1 177 3 -1 -0.583401 -2.772822 1.801729 Rho 0.1434129E+00 |GRAD(Rho)| 0.6765966E-13 GRAD(Rho)x 0.6373146E-13 GRAD(Rho)y -0.2039056E-13 GRAD(Rho)z -0.1001773E-13 Laplacian 0.6060688E+00 (-1/4)Del**2(Rho)) -0.1515172E+00 Diamond 0.1166533E+01 Metallicity 0.4467572E+01 Ellipticity 0.8319739E-02 Gb(Abramov) 0.2138305E+00 Vb(Abramov) -0.2761438E+00 Hb(Abramov) -0.6231328E-01 Ex_ueg -0.5544163E-01 Ec_ueg -0.8023187E-02 Delta_ex -0.6440359E-01 Delta_ec 0.1560216E-01 Delta_et -0.2064820E+00 Pxc 0.6910176E+01 Qxc -0.4127864E+01 3,-1 178 3 -1 -0.037184 3.194242 -3.197544 Rho 0.2561872E+00 |GRAD(Rho)| 0.2548215E-15 GRAD(Rho)x 0.4662069E-16 GRAD(Rho)y 0.1401873E-15 GRAD(Rho)z -0.2076247E-15 Laplacian 0.9247163E+00 (-1/4)Del**2(Rho)) -0.2311791E+00 Diamond 0.3529297E+01 Metallicity 0.7700760E+01 Ellipticity 0.1143897E-02 Gb(Abramov) 0.4508285E+00 Vb(Abramov) -0.6704779E+00 Hb(Abramov) -0.2196494E+00 Ex_ueg -0.1201697E+00 Ec_ueg -0.1556526E-01 Delta_ex -0.1136110E+00 Delta_ec 0.1995561E-01 Delta_et -0.2765153E+00 Pxc 0.7720379E+01 Qxc -0.5693187E+01 3,-1 179 3 -1 2.783480 1.803430 0.574836 Rho 0.1445273E+00 |GRAD(Rho)| 0.7813562E-13 GRAD(Rho)x -0.1162830E-13 GRAD(Rho)y 0.5797232E-13 GRAD(Rho)z -0.5108002E-13 Laplacian 0.6118223E+00 (-1/4)Del**2(Rho)) -0.1529556E+00 Diamond 0.1188858E+01 Metallicity 0.4483022E+01 Ellipticity 0.9130180E-02 Gb(Abramov) 0.2162542E+00 Vb(Abramov) -0.2795529E+00 Hb(Abramov) -0.6329867E-01 Ex_ueg -0.5601678E-01 Ec_ueg -0.8094106E-02 Delta_ex -0.6514066E-01 Delta_ec 0.1572511E-01 Delta_et -0.2083562E+00 Pxc 0.6920687E+01 Qxc -0.4142461E+01 3,-1 180 3 -1 -4.232673 3.829887 -0.811862 Rho 0.3269031E+00 |GRAD(Rho)| 0.1343941E-14 GRAD(Rho)x -0.1307547E-14 GRAD(Rho)y -0.1762128E-15 GRAD(Rho)z 0.2558289E-15 Laplacian -0.1823783E+01 (-1/4)Del**2(Rho)) 0.4559458E+00 Diamond 0.6395490E+01 Metallicity -0.5861450E+01 Ellipticity 0.1691931E-02 Gb(Abramov) 0.1414534E+00 Vb(Abramov) -0.7388526E+00 Hb(Abramov) -0.5973992E+00 Ex_ueg -0.1663197E+00 Ec_ueg -0.2065398E-01 Delta_ex 0.1836516E+00 Delta_ec 0.6272627E-01 Delta_et -0.1505431E+01 Pxc 0.8052674E+01 Qxc 0.2927826E+01 3,-1 181 3 -1 2.968627 -0.836935 1.977919 Rho 0.1412345E+00 |GRAD(Rho)| 0.2478937E-15 GRAD(Rho)x -0.2110806E-15 GRAD(Rho)y 0.1027146E-15 GRAD(Rho)z 0.7966175E-16 Laplacian 0.5654623E+00 (-1/4)Del**2(Rho)) -0.1413656E+00 Diamond 0.1071758E+01 Metallicity 0.4667784E+01 Ellipticity 0.2432963E-01 Gb(Abramov) 0.2042210E+00 Vb(Abramov) -0.2670765E+00 Hb(Abramov) -0.6285546E-01 Ex_ueg -0.5432162E-01 Ec_ueg -0.7884777E-02 Delta_ex -0.5989929E-01 Delta_ec 0.1467323E-01 Delta_et -0.1938770E+00 Pxc 0.6889430E+01 Qxc -0.4082215E+01 3,-1 182 3 -1 3.204658 3.189314 0.060553 Rho 0.2563033E+00 |GRAD(Rho)| 0.4404530E-14 GRAD(Rho)x -0.9356665E-15 GRAD(Rho)y -0.4009380E-14 GRAD(Rho)z 0.1565019E-14 Laplacian 0.9203039E+00 (-1/4)Del**2(Rho)) -0.2300760E+00 Diamond 0.3517661E+01 Metallicity 0.7743530E+01 Ellipticity 0.9543587E-03 Gb(Abramov) 0.4503174E+00 Vb(Abramov) -0.6705587E+00 Hb(Abramov) -0.2202414E+00 Ex_ueg -0.1202423E+00 Ec_ueg -0.1557339E-01 Delta_ex -0.1130984E+00 Delta_ec 0.1988623E-01 Delta_et -0.2756935E+00 Pxc 0.7721012E+01 Qxc -0.5687272E+01 3,-1 183 3 -1 -3.206807 -3.166904 0.052575 Rho 0.2563192E+00 |GRAD(Rho)| 0.2181778E-15 GRAD(Rho)x 0.1007224E-15 GRAD(Rho)y 0.1896270E-15 GRAD(Rho)z -0.3870602E-16 Laplacian 0.9201975E+00 (-1/4)Del**2(Rho)) -0.2300494E+00 Diamond 0.3517692E+01 Metallicity 0.7745225E+01 Ellipticity 0.1105261E-02 Gb(Abramov) 0.4503303E+00 Vb(Abramov) -0.6706112E+00 Hb(Abramov) -0.2202809E+00 Ex_ueg -0.1202523E+00 Ec_ueg -0.1557450E-01 Delta_ex -0.1130880E+00 Delta_ec 0.1988509E-01 Delta_et -0.2756852E+00 Pxc 0.7721099E+01 Qxc -0.5687078E+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 77 103 142 177 126 124 146 139 147 144 138 157 143 121 75 72 90 159 178 76 169 160 78 73 120 164 95 128 96 127 130 88 179 173 175 172 182 64 57 113 58 114 62 170 109 176 108 171 183 134 156 136 110 133 154 117 112 131 166 137 155 100 153 151 181 148 106 105 165 149 152 162 104 83 174 167 168 180 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 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 54 2.474316 1.932373 1.928854 1.939566 1.940014 1.718665 2.458491 1.921891 1.908506 1.983837 1.935070 1.719206 2.438599 1.935538 1.974368 1.907364 1.931772 1.719289 2.510575 1.921513 1.926056 1.937720 1.952406 1.717529 2.520289 1.933005 1.944777 1.925042 1.929672 1.718091 2.460768 1.925708 1.932641 1.943777 1.941961 1.719271 2.348641 1.845312 1.890530 1.923360 1.923326 1.852516 2.462034 1.926989 1.928502 1.943179 1.946118 1.719262 2.480362 2.048817 1.924027 1.935714 1.893439 1.707336 2.492609 1.930431 1.920222 1.949435 1.936507 1.718028 2.463834 1.930435 1.930768 1.944765 1.935960 1.718771 2.498305 1.924967 1.943756 1.939424 1.975623 1.707977 1.552772 1.552568 1.551462 1.567860 0.981903 2.475331 1.932781 1.929228 1.940215 1.940661 1.718667 2.459488 1.922295 1.908855 1.984529 1.935769 1.719208 2.439713 1.935999 1.974786 1.907980 1.932404 1.719295 2.511490 1.921928 1.926426 1.938412 1.952820 1.717534 2.521197 1.933457 1.945138 1.925715 1.930301 1.718096 2.461803 1.926080 1.933006 1.944416 1.942613 1.719275 2.349652 1.845939 1.891019 1.924149 1.924151 1.854210 2.463076 1.927363 1.928872 1.943846 1.946768 1.719263 2.481360 2.049302 1.924624 1.936570 1.894139 1.707344 2.493555 1.930797 1.920590 1.949922 1.937186 1.718034 2.464871 1.930803 1.931135 1.945411 1.936608 1.718776 2.499220 1.925478 1.944297 1.940264 1.976500 1.707985 1.552780 1.552582 1.551486 1.567918 0.982199 29 26 23 23 23 20 29 23 23 26 24 20 28 27 26 25 23 21 29 26 23 26 25 22 29 25 23 26 23 21 29 23 23 23 23 22 27 22 23 23 23 23 29 23 23 23 23 21 29 25 26 23 23 20 29 23 23 26 26 22 29 23 23 23 23 24 29 26 23 23 23 22 20 21 23 22 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 W W W W W W W W Mo W W 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 P H 2.5355 2.5156 2.5183 2.5319 2.5243 2.5230 2.6549 2.5227 2.4030 2.5353 2.5351 2.3966 -1.0433 -1.0489 -1.0481 -1.0577 -0.9451 -0.9124 -0.8909 -0.9458 -0.9126 -0.9460 -0.9144 -0.9466 -0.9257 -0.9468 -0.9459 -0.9433 -0.9405 -0.9017 -0.9031 -0.9306 -0.9421 -0.9027 -0.9427 -0.8919 -0.9411 -0.9302 -0.9415 -0.9370 -0.7189 -0.7177 -0.7164 -0.7147 -0.7174 -0.7193 -0.6718 -0.7189 -0.6333 -0.7166 -0.7185 -0.6375 2.3809 0.3029 2.0797 2.0816 2.0782 2.0786 2.0786 2.0819 2.0645 2.0825 1.9451 2.0760 2.0798 1.9488 1.8920 1.8929 1.8926 1.8932 1.9355 1.9398 1.9462 1.9357 1.9397 1.9356 1.9396 1.9356 1.9395 1.9355 1.9354 1.9364 1.9479 1.9510 1.9510 1.9495 1.9481 1.9510 1.9475 1.9537 1.9496 1.9506 1.9480 1.9498 1.9784 1.9784 1.9783 1.9797 1.9788 1.9782 1.8794 1.9784 1.9910 1.9791 1.9783 1.9904 2.4866 0.5985 6.0804 6.0851 6.0843 6.0821 6.0823 6.0849 6.0773 6.0850 6.0462 6.0798 6.0800 6.0512 5.1106 5.1147 5.1141 5.1230 4.9789 4.9440 4.9142 4.9794 4.9445 4.9795 4.9465 4.9801 4.9551 4.9806 4.9799 4.9759 4.9588 4.9195 4.9210 4.9472 4.9606 4.9201 4.9618 4.9062 4.9583 4.9462 4.9598 4.9534 4.7009 4.6999 4.6987 4.6954 4.6990 4.7017 4.7598 4.7012 4.6046 4.6979 4.7007 4.6096 7.2966 0.0986 3.2755 3.2889 3.2904 3.2786 3.2861 3.2813 3.1722 3.2809 3.6058 3.2799 3.2761 3.6033 0.0407 0.0412 0.0414 0.0415 0.0307 0.0287 0.0305 0.0307 0.0284 0.0310 0.0283 0.0309 0.0312 0.0307 0.0306 0.0311 0.0338 0.0312 0.0310 0.0339 0.0334 0.0316 0.0334 0.0320 0.0333 0.0334 0.0337 0.0338 0.0395 0.0394 0.0395 0.0397 0.0396 0.0394 0.0326 0.0394 0.0377 0.0396 0.0394 0.0375 0.8360 0.0000 14.0289 14.0289 14.0288 14.0288 14.0288 14.0289 14.0310 14.0289 0.0000 14.0289 14.0290 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 W W W W W W W W Mo W W 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 P H 2.531593 2.527110 2.528705 2.528659 2.527754 2.529644 2.578477 2.529601 3.186337 2.529486 2.532394 3.188863 -1.033687 -1.066144 -1.064821 -1.029857 -0.930015 -1.045805 -0.984662 -0.930017 -1.042860 -0.929022 -1.047800 -0.929580 -0.915617 -0.930701 -0.930550 -0.925429 -0.902103 -1.012926 -1.013002 -0.894210 -0.902907 -1.001506 -0.905427 -1.017003 -0.901333 -0.889135 -0.902926 -0.898729 -0.737961 -0.736608 -0.734244 -0.732377 -0.735764 -0.738610 -0.494379 -0.738167 -0.895535 -0.734971 -0.737883 -0.901533 2.006543 0.170639 1.955522 1.965077 1.966780 1.955444 1.961214 1.957956 1.850206 1.957472 2.382208 1.954898 1.956181 2.380258 -0.776156 -0.825411 -0.823358 -0.753824 -0.694163 -0.796057 -0.749778 -0.695180 -0.796059 -0.696653 -0.795269 -0.697236 -0.666124 -0.694716 -0.694875 -0.694813 -0.722698 -0.810007 -0.812083 -0.691121 -0.726671 -0.808404 -0.726807 -0.810443 -0.724583 -0.686679 -0.724438 -0.721634 -0.618186 -0.607188 -0.604224 -0.609991 -0.611243 -0.614500 -0.625169 -0.614261 -0.641602 -0.613123 -0.618000 -0.652294 1.549479 0.452325 2.052752 2.059391 2.061283 2.048550 2.057428 2.054649 2.084835 2.054289 2.456430 2.048342 2.052848 2.460255 -0.828869 -0.858683 -0.857136 -0.810629 -0.768367 -0.870737 -0.844029 -0.769715 -0.868233 -0.771351 -0.872241 -0.771582 -0.767981 -0.769998 -0.770889 -0.770710 -0.756527 -0.849741 -0.851604 -0.740421 -0.763017 -0.841884 -0.767269 -0.839961 -0.768876 -0.739814 -0.760947 -0.761560 -0.585779 -0.571348 -0.569501 -0.577942 -0.578885 -0.578876 -0.625144 -0.578690 -0.603753 -0.580877 -0.585754 -0.613426 1.519813 0.451884 -8.17189748 6.75017172 -3.84199939 11.27411575 17.95427519 -34.94423014 11.03145918 -1.06849462 -7.97155473 -16.88578057 -415.5712 405.6481 -63.6619 -381.4001 -5.1074 -460.0924 Apr03-2024 01:35:54 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 0 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Apr03-2024 01:35:55 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr03-2024 01:35:56 Nodes: 1 Procs: 1 Apr03-2024 01:35:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr03-2024 01:35:58 Nodes: 1 Procs: 1 Apr03-2024 01:35:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr03-2024 01:36:01 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.20498906 -16.71074645 -16.13401945 -16.85630459 -16.89526341 -16.90340153 -16.90496275 -16.90649956 -16.90744060 -16.90760208 -16.90782368 -16.90791255 -16.90798263 -16.90799951 -16.90802318 -16.90805080 -16.90807330 -16.90808038 -16.90808249 -16.90806560 -16.90808248 -16.90808498 GEOMETRY CONVERGED