ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:43:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.05 2.49 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:43:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.57 0.06 1.98 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 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 Jun10-2024 15:43:47 Nodes: 1 Procs: 1 Jun10-2024 15:43:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:43:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 1.76 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 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 Jun10-2024 15:43:47 Nodes: 1 Procs: 1 Jun10-2024 15:43:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:43:51 Nodes: 1 Procs: 1 Jun10-2024 15:43:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:43:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.04 1.29 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 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 Jun10-2024 15:43:47 Nodes: 1 Procs: 1 Jun10-2024 15:43:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:43:51 Nodes: 1 Procs: 1 Jun10-2024 15:43:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:43:54 Nodes: 1 Procs: 1 Jun10-2024 15:43:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:43:57 Hydrogen (TZP) c2-51 c2-51 c2-51 c2-51 c2-51 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.00 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 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 Jun10-2024 15:43:47 Nodes: 1 Procs: 1 Jun10-2024 15:43:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:43:51 Nodes: 1 Procs: 1 Jun10-2024 15:43:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:43:54 Nodes: 1 Procs: 1 Jun10-2024 15:43:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:43:57 Nodes: 1 Procs: 1 Jun10-2024 15:43:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:44:04 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.738199999999 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0.222022 -3.775710 3.736735 -0.200866 -3.911399 -3.633549 0.280483 -3.862004 0.351935 -3.617654 -3.718528 -0.206782 3.807633 3.696963 0.211852 3.802270 -0.641643 -3.423405 -1.278177 1 3 -3 0.095168 -2.580222 2.531285 Rho 0.4361414E+07 3,-3 2 3 -3 2.609695 2.521092 -0.132969 Rho 0.4361414E+07 3,-3 3 3 -3 -2.502034 0.160228 2.613290 Rho 0.4361414E+07 3,-3 4 3 -3 2.530453 -0.147802 2.556661 Rho 0.4361414E+07 3,-3 5 3 -3 2.493640 -0.027787 -2.616339 Rho 0.4361414E+07 3,-3 6 3 -3 -0.079992 -0.078054 -0.066555 Rho 0.4276087E+05 3,-3 7 3 -3 0.121399 2.523961 -2.531323 Rho 0.1240648E+06 3,-3 8 3 -3 -0.071500 2.607646 2.512505 Rho 0.1240649E+06 3,-3 9 3 -3 2.490633 -2.648770 0.011862 Rho 0.1240648E+06 3,-3 10 3 -3 -2.593793 2.482853 0.055462 Rho 0.1240649E+06 3,-3 11 3 -3 -2.644481 -2.514311 -0.099260 Rho 0.1240649E+06 3,-3 12 3 -3 -2.491356 -0.276393 -2.734483 Rho 0.1240648E+06 3,-3 13 3 -3 0.922716 -1.048023 0.932412 Rho 0.3190215E+03 3,-3 14 3 -3 -1.069320 -1.032083 -1.049842 Rho 0.3190982E+03 3,-3 15 3 -3 0.978903 0.896691 -1.002337 Rho 0.3190248E+03 3,-3 16 3 -3 -0.984093 0.953101 0.965409 Rho 0.3190249E+03 3,-3 17 3 -3 -2.990847 -1.122511 1.157650 Rho 0.3189638E+03 3,-3 18 3 -3 3.025316 -1.168414 -1.143254 Rho 0.3188820E+03 3,-3 19 3 -3 -3.049283 1.165000 -1.084862 Rho 0.3191977E+03 3,-3 20 3 -3 2.994343 1.187497 1.194650 Rho 0.3188493E+03 3,-3 21 3 -3 1.311727 -1.140041 -3.271422 Rho 0.3193417E+03 3,-3 22 3 -3 1.103791 1.139619 2.973308 Rho 0.3189443E+03 3,-3 23 3 -3 -1.158376 1.136068 -2.979355 Rho 0.3189632E+03 3,-3 24 3 -3 -1.156526 -1.149351 3.024078 Rho 0.3188706E+03 3,-3 25 3 -3 -1.140323 3.011766 -1.105409 Rho 0.3189993E+03 3,-3 26 3 -3 -1.179169 -3.013456 1.203360 Rho 0.3189331E+03 3,-3 27 3 -3 1.159307 3.049676 1.153189 Rho 0.3189695E+03 3,-3 28 3 -3 1.243090 -3.258511 -1.071307 Rho 0.3193824E+03 3,-3 29 3 -3 3.389939 -1.468910 1.572012 Rho 0.3190465E+03 3,-3 30 3 -3 -3.461332 -1.584713 -1.569575 Rho 0.3190534E+03 3,-3 31 3 -3 3.438577 1.561362 -1.473212 Rho 0.3190383E+03 3,-3 32 3 -3 -3.429969 1.504724 1.588765 Rho 0.3190035E+03 3,-3 33 3 -3 1.452919 -1.485865 3.452571 Rho 0.3189358E+03 3,-3 34 3 -3 1.540824 1.561586 -3.395953 Rho 0.3190207E+03 3,-3 35 3 -3 -1.507834 1.512763 3.477239 Rho 0.3190128E+03 3,-3 36 3 -3 -1.828310 -1.443455 -3.844842 Rho 0.3194371E+03 3,-3 37 3 -3 -1.603940 -3.675718 -1.282249 Rho 0.3187993E+03 3,-3 38 3 -3 -1.520146 3.393466 1.574498 Rho 0.3190998E+03 3,-3 39 3 -3 1.537726 -3.436124 1.612224 Rho 0.3189890E+03 3,-3 40 3 -3 1.494230 3.423879 -1.460442 Rho 0.3190021E+03 3,-3 41 3 -3 -0.237838 -3.760449 3.770929 Rho 0.3192979E+03 3,-3 42 3 -3 3.852077 -0.163837 -3.719955 Rho 0.3192473E+03 3,-3 43 3 -3 -0.222404 3.743063 -3.712908 Rho 0.3194460E+03 3,-3 44 3 -3 0.259510 3.776244 3.753674 Rho 0.3194155E+03 3,-3 45 3 -3 3.817162 -3.766885 -0.160591 Rho 0.3193909E+03 3,-3 46 3 -3 3.780541 3.763314 0.222022 Rho 0.3192934E+03 3,-3 47 3 -3 -3.775710 3.736735 -0.200866 Rho 0.3193990E+03 3,-3 48 3 -3 -3.911399 -3.633549 0.280483 Rho 0.3194465E+03 3,-3 49 3 -3 -3.862004 0.351935 -3.617654 Rho 0.3193929E+03 3,-3 50 3 -3 -3.718528 -0.206782 3.807633 Rho 0.3192987E+03 3,-3 51 3 -3 3.696963 0.211852 3.802270 Rho 0.3192886E+03 3,-3 52 3 -3 -0.641643 -3.423405 -1.278177 Rho 0.4446163E+00 3,-3 53 3 +1 -0.039865 -2.278854 -1.037998 Rho 0.6112432E-02 |GRAD(Rho)| 0.1051648E-14 GRAD(Rho)x -0.3262362E-15 GRAD(Rho)y -0.6514817E-15 GRAD(Rho)z -0.7583564E-15 Laplacian 0.2358936E-01 (-1/4)Del**2(Rho)) -0.5897340E-02 Diamond 0.7233218E-03 Metallicity 0.5969260E+00 Ellipticity -0.4554166E+01 Gb(Abramov) 0.4518272E-02 Vb(Abramov) -0.3139205E-02 Hb(Abramov) 0.1379067E-02 Ex_ueg -0.8254114E-03 Ec_ueg -0.1950950E-03 Delta_ex -0.1221708E-02 Delta_ec 0.7460293E-03 Delta_et -0.4301711E-02 Pxc 0.4230818E+01 Qxc -0.1637614E+01 3,+1 54 3 +1 -0.556706 -0.564379 1.652747 Rho 0.8732362E-02 |GRAD(Rho)| 0.1015748E-16 GRAD(Rho)x 0.6438632E-17 GRAD(Rho)y -0.7575216E-17 GRAD(Rho)z 0.2081934E-17 Laplacian 0.3430335E-01 (-1/4)Del**2(Rho)) -0.8575838E-02 Diamond 0.9187260E-03 Metallicity 0.7438685E+00 Ellipticity -0.1420725E+01 Gb(Abramov) 0.6780441E-02 Vb(Abramov) -0.4985045E-02 Hb(Abramov) 0.1795397E-02 Ex_ueg -0.1328090E-02 Ec_ueg -0.3109063E-03 Delta_ex -0.1564980E-02 Delta_ec 0.4680523E-03 Delta_et -0.3223546E-02 Pxc 0.4271672E+01 Qxc -0.3343600E+01 3,+1 55 3 +1 -2.241629 -1.183713 -1.411112 Rho 0.2961168E-01 |GRAD(Rho)| 0.8038067E-16 GRAD(Rho)x -0.7842580E-16 GRAD(Rho)y -0.9366710E-17 GRAD(Rho)z -0.1492349E-16 Laplacian 0.1234598E+00 (-1/4)Del**2(Rho)) -0.3086494E-01 Diamond 0.2190313E-01 Metallicity 0.1581950E+01 Ellipticity -0.6108992E+01 Gb(Abramov) 0.2871442E-01 Vb(Abramov) -0.2656391E-01 Hb(Abramov) 0.2150515E-02 Ex_ueg -0.6766058E-02 Ec_ueg -0.1323594E-02 Delta_ex -0.8166952E-02 Delta_ec 0.2329434E-02 Delta_et -0.2139526E-01 Pxc 0.5111882E+01 Qxc -0.3505981E+01 3,+1 56 3 -1 -1.870183 -2.758783 0.583395 Rho 0.1079520E+00 |GRAD(Rho)| 0.2708738E-15 GRAD(Rho)x -0.1108529E-15 GRAD(Rho)y 0.9813216E-16 GRAD(Rho)z -0.2268354E-15 Laplacian 0.4404517E+00 (-1/4)Del**2(Rho)) -0.1101129E+00 Diamond 0.5956547E+00 Metallicity 0.3829121E+01 Ellipticity 0.1676849E-01 Gb(Abramov) 0.1436812E+00 Vb(Abramov) -0.1772495E+00 Hb(Abramov) -0.3356831E-01 Ex_ueg -0.3796287E-01 Ec_ueg -0.5809221E-02 Delta_ex -0.4362036E-01 Delta_ec 0.1193400E-01 Delta_et -0.1502636E+00 Pxc 0.6534934E+01 Qxc -0.3655133E+01 3,-1 57 3 -1 -3.321063 -3.112488 0.102015 Rho 0.2297184E+00 |GRAD(Rho)| 0.2571743E-15 GRAD(Rho)x -0.2233456E-15 GRAD(Rho)y 0.1045713E-15 GRAD(Rho)z -0.7293970E-16 Laplacian 0.8481886E+00 (-1/4)Del**2(Rho)) -0.2120472E+00 Diamond 0.2844733E+01 Metallicity 0.7000250E+01 Ellipticity 0.7684341E-03 Gb(Abramov) 0.3887620E+00 Vb(Abramov) -0.5654768E+00 Hb(Abramov) -0.1767148E+00 Ex_ueg -0.1039073E+00 Ec_ueg -0.1373127E-01 Delta_ex -0.1013099E+00 Delta_ec 0.1896846E-01 Delta_et -0.2622420E+00 Pxc 0.7567202E+01 Qxc -0.5340965E+01 3,-1 58 3 +1 -1.722139 0.493818 -0.562413 Rho 0.9055983E-02 |GRAD(Rho)| 0.1638488E-12 GRAD(Rho)x -0.1306566E-12 GRAD(Rho)y 0.4918157E-13 GRAD(Rho)z -0.8576985E-13 Laplacian 0.3427834E-01 (-1/4)Del**2(Rho)) -0.8569585E-02 Diamond 0.1037378E-02 Metallicity 0.7909566E+00 Ellipticity -0.1578955E+01 Gb(Abramov) 0.6842752E-02 Vb(Abramov) -0.5115919E-02 Hb(Abramov) 0.1726833E-02 Ex_ueg -0.1394117E-02 Ec_ueg -0.3254279E-03 Delta_ex -0.1608966E-02 Delta_ec 0.5222275E-03 Delta_et -0.3585188E-02 Pxc 0.4283950E+01 Qxc -0.3080968E+01 3,+1 59 3 -1 -1.821548 -1.735872 -0.558544 Rho 0.4850242E-01 |GRAD(Rho)| 0.1869202E-12 GRAD(Rho)x 0.1011943E-12 GRAD(Rho)y 0.5892352E-13 GRAD(Rho)z 0.1456945E-12 Laplacian 0.1975034E+00 (-1/4)Del**2(Rho)) -0.4937584E-01 Diamond 0.9805322E-01 Metallicity 0.2250666E+01 Ellipticity 0.1801076E-01 Gb(Abramov) 0.5143865E-01 Vb(Abramov) -0.5350146E-01 Hb(Abramov) -0.2062806E-02 Ex_ueg -0.1306380E-01 Ec_ueg -0.2332262E-02 Delta_ex -0.1622235E-01 Delta_ec 0.6045456E-02 Delta_et -0.6328401E-01 Pxc 0.5601345E+01 Qxc -0.2683396E+01 3,-1 60 3 +1 -2.923641 0.192419 0.214535 Rho 0.5850247E-02 |GRAD(Rho)| 0.2454203E-15 GRAD(Rho)x -0.1106163E-16 GRAD(Rho)y 0.1732234E-15 GRAD(Rho)z 0.1735004E-15 Laplacian 0.2447514E-01 (-1/4)Del**2(Rho)) -0.6118785E-02 Diamond 0.6794915E-03 Metallicity 0.5347839E+00 Ellipticity -0.3046475E+01 Gb(Abramov) 0.4624562E-02 Vb(Abramov) -0.3130338E-02 Hb(Abramov) 0.1494224E-02 Ex_ueg -0.7785455E-03 Ec_ueg -0.1836839E-03 Delta_ex -0.1235555E-02 Delta_ec 0.7364051E-03 Delta_et -0.4205696E-02 Pxc 0.4238507E+01 Qxc -0.1677820E+01 3,+1 61 3 -1 -2.018637 2.941801 0.851708 Rho 0.9903284E-01 |GRAD(Rho)| 0.4206897E-15 GRAD(Rho)x -0.1991442E-15 GRAD(Rho)y -0.1413613E-15 GRAD(Rho)z -0.3425469E-15 Laplacian 0.3899107E+00 (-1/4)Del**2(Rho)) -0.9747768E-01 Diamond 0.4751526E+00 Metallicity 0.3746394E+01 Ellipticity 0.2035138E-01 Gb(Abramov) 0.1258501E+00 Vb(Abramov) -0.1542225E+00 Hb(Abramov) -0.2837240E-01 Ex_ueg -0.3383951E-01 Ec_ueg -0.5266503E-02 Delta_ex -0.3784035E-01 Delta_ec 0.1076800E-01 Delta_et -0.1333480E+00 Pxc 0.6425424E+01 Qxc -0.3514149E+01 3,-1 62 3 +3 -1.918438 1.926846 1.954555 Rho 0.1211104E-01 |GRAD(Rho)| 0.1198862E-16 GRAD(Rho)x 0.4419897E-17 GRAD(Rho)y -0.8669120E-17 GRAD(Rho)z 0.7002698E-17 Laplacian 0.5556100E-01 (-1/4)Del**2(Rho)) -0.1389025E-01 Diamond 0.1396996E-02 Metallicity 0.7921591E+00 Ellipticity -0.8309295E+00 Gb(Abramov) 0.1109405E-01 Vb(Abramov) -0.8297847E-02 Hb(Abramov) 0.2796202E-02 Ex_ueg -0.2054127E-02 Ec_ueg -0.4646976E-03 Delta_ex -0.2492899E-02 Delta_ec 0.2840858E-03 Delta_et -0.2469212E-02 Pxc 0.4420351E+01 Qxc -0.8775163E+01 3,+3 63 3 -1 -3.012408 1.959204 0.864771 Rho 0.1171158E+00 |GRAD(Rho)| 0.1215513E-13 GRAD(Rho)x 0.3005181E-14 GRAD(Rho)y 0.6595256E-14 GRAD(Rho)z -0.9758009E-14 Laplacian 0.4489309E+00 (-1/4)Del**2(Rho)) -0.1122327E+00 Diamond 0.6741842E+00 Metallicity 0.4303213E+01 Ellipticity 0.3350583E-01 Gb(Abramov) 0.1553154E+00 Vb(Abramov) -0.1983980E+00 Hb(Abramov) -0.4308264E-01 Ex_ueg -0.4231936E-01 Ec_ueg -0.6373055E-02 Delta_ex -0.4538984E-01 Delta_ec 0.1204924E-01 Delta_et -0.1541484E+00 Pxc 0.6640357E+01 Qxc -0.3767029E+01 3,-1 64 3 +1 -0.569609 0.502483 -1.669683 Rho 0.9328754E-02 |GRAD(Rho)| 0.2646527E-12 GRAD(Rho)x -0.2072254E-12 GRAD(Rho)y 0.7112072E-13 GRAD(Rho)z 0.1484605E-12 Laplacian 0.3592351E-01 (-1/4)Del**2(Rho)) -0.8980876E-02 Diamond 0.1120911E-02 Metallicity 0.7930012E+00 Ellipticity -0.1554401E+01 Gb(Abramov) 0.7174225E-02 Vb(Abramov) -0.5367574E-02 Hb(Abramov) 0.1806651E-02 Ex_ueg -0.1450385E-02 Ec_ueg -0.3377034E-03 Delta_ex -0.1694307E-02 Delta_ec 0.5392668E-03 Delta_et -0.3736843E-02 Pxc 0.4294849E+01 Qxc -0.3141871E+01 3,+1 65 3 -1 -2.983508 -0.960887 -2.107398 Rho 0.1171333E+00 |GRAD(Rho)| 0.4839809E-15 GRAD(Rho)x 0.1285593E-15 GRAD(Rho)y 0.3121960E-15 GRAD(Rho)z -0.3467617E-15 Laplacian 0.4391346E+00 (-1/4)Del**2(Rho)) -0.1097836E+00 Diamond 0.6676457E+00 Metallicity 0.4400303E+01 Ellipticity 0.3792939E-01 Gb(Abramov) 0.1537026E+00 Vb(Abramov) -0.1976216E+00 Hb(Abramov) -0.4391900E-01 Ex_ueg -0.4232777E-01 Ec_ueg -0.6374134E-02 Delta_ex -0.4451252E-01 Delta_ec 0.1198512E-01 Delta_et -0.1536488E+00 Pxc 0.6640551E+01 Qxc -0.3713982E+01 3,-1 66 3 +1 -2.923242 -0.282585 -0.306227 Rho 0.5404065E-02 |GRAD(Rho)| 0.1328524E-16 GRAD(Rho)x -0.5226333E-18 GRAD(Rho)y -0.9434053E-17 GRAD(Rho)z -0.9339338E-17 Laplacian 0.2254496E-01 (-1/4)Del**2(Rho)) -0.5636240E-02 Diamond 0.4280556E-03 Metallicity 0.5086643E+00 Ellipticity -0.1428708E+01 Gb(Abramov) 0.4235319E-02 Vb(Abramov) -0.2834398E-02 Hb(Abramov) 0.1400921E-02 Ex_ueg -0.7003994E-03 Ec_ueg -0.1643426E-03 Delta_ex -0.1007678E-02 Delta_ec 0.4773423E-03 Delta_et -0.2746687E-02 Pxc 0.4261826E+01 Qxc -0.2111018E+01 3,+1 67 3 -1 -3.224544 0.059529 -3.204057 Rho 0.2215628E+00 |GRAD(Rho)| 0.7545641E-14 GRAD(Rho)x -0.7062222E-14 GRAD(Rho)y -0.2508139E-14 GRAD(Rho)z -0.8780411E-15 Laplacian 0.8185084E+00 (-1/4)Del**2(Rho)) -0.2046271E+00 Diamond 0.2630578E+01 Metallicity 0.6829958E+01 Ellipticity 0.2057026E-01 Gb(Abramov) 0.3693505E+00 Vb(Abramov) -0.5340739E+00 Hb(Abramov) -0.1647234E+00 Ex_ueg -0.9901800E-01 Ec_ueg -0.1317392E-01 Delta_ex -0.9686564E-01 Delta_ec 0.1851982E-01 Delta_et -0.2556707E+00 Pxc 0.7516214E+01 Qxc -0.5230378E+01 3,-1 68 3 -1 -2.933319 0.082448 0.095989 Rho 0.5868799E-02 |GRAD(Rho)| 0.1514564E-15 GRAD(Rho)x 0.1775857E-16 GRAD(Rho)y 0.1113616E-15 GRAD(Rho)z 0.1011052E-15 Laplacian 0.2377900E-01 (-1/4)Del**2(Rho)) -0.5944750E-02 Diamond 0.7933892E-03 Metallicity 0.5533522E+00 Ellipticity 0.2069838E+01 Gb(Abramov) 0.4511423E-02 Vb(Abramov) -0.3078097E-02 Hb(Abramov) 0.1433327E-02 Ex_ueg -0.7818390E-03 Ec_ueg -0.1844902E-03 Delta_ex -0.1298974E-02 Delta_ec 0.8900702E-03 Delta_et -0.5015762E-02 Pxc 0.4237834E+01 Qxc -0.1459406E+01 3,-1 69 3 +1 0.346614 -1.922748 -0.715041 Rho 0.5797854E-02 |GRAD(Rho)| 0.4299327E-12 GRAD(Rho)x -0.1716844E-12 GRAD(Rho)y -0.1615408E-12 GRAD(Rho)z -0.3595430E-12 Laplacian 0.2259791E-01 (-1/4)Del**2(Rho)) -0.5649478E-02 Diamond 0.5348477E-03 Metallicity 0.5705893E+00 Ellipticity -0.2016234E+01 Gb(Abramov) 0.4303574E-02 Vb(Abramov) -0.2957670E-02 Hb(Abramov) 0.1345904E-02 Ex_ueg -0.7692628E-03 Ec_ueg -0.1814076E-03 Delta_ex -0.1073963E-02 Delta_ec 0.5642815E-03 Delta_et -0.3262046E-02 Pxc 0.4240520E+01 Qxc -0.1903240E+01 3,+1 70 3 -1 -2.980290 0.873982 2.054375 Rho 0.1487481E+00 |GRAD(Rho)| 0.4287336E-15 GRAD(Rho)x 0.2196865E-16 GRAD(Rho)y -0.3811919E-15 GRAD(Rho)z 0.1949938E-15 Laplacian 0.5851465E+00 (-1/4)Del**2(Rho)) -0.1462866E+00 Diamond 0.1174802E+01 Metallicity 0.4917765E+01 Ellipticity 0.5285567E-01 Gb(Abramov) 0.2174250E+00 Vb(Abramov) -0.2885633E+00 Hb(Abramov) -0.7113833E-01 Ex_ueg -0.5820859E-01 Ec_ueg -0.8363425E-02 Delta_ex -0.6271882E-01 Delta_ec 0.1489322E-01 Delta_et -0.1980620E+00 Pxc 0.6959899E+01 Qxc -0.4211232E+01 3,-1 71 3 +1 -1.045187 1.406440 2.183119 Rho 0.2482380E-01 |GRAD(Rho)| 0.1213868E-14 GRAD(Rho)x 0.6317682E-15 GRAD(Rho)y 0.8720371E-15 GRAD(Rho)z 0.5602639E-15 Laplacian 0.9576722E-01 (-1/4)Del**2(Rho)) -0.2394181E-01 Diamond 0.1107747E-01 Metallicity 0.1519999E+01 Ellipticity -0.2472910E+01 Gb(Abramov) 0.2202646E-01 Vb(Abramov) -0.2011111E-01 Hb(Abramov) 0.1915348E-02 Ex_ueg -0.5348222E-02 Ec_ueg -0.1079847E-02 Delta_ex -0.5799538E-02 Delta_ec 0.1365453E-02 Delta_et -0.1209378E-01 Pxc 0.4952760E+01 Qxc -0.4247335E+01 3,+1 72 3 -1 -2.768281 0.474340 -1.866394 Rho 0.6017971E-01 |GRAD(Rho)| 0.7696926E-13 GRAD(Rho)x -0.3042854E-13 GRAD(Rho)y -0.1499886E-13 GRAD(Rho)z -0.6908983E-13 Laplacian 0.2528557E+00 (-1/4)Del**2(Rho)) -0.6321393E-01 Diamond 0.1697380E+00 Metallicity 0.2518588E+01 Ellipticity 0.8995260E-02 Gb(Abramov) 0.6867760E-01 Vb(Abramov) -0.7414127E-01 Hb(Abramov) -0.5463668E-02 Ex_ueg -0.1741747E-01 Ec_ueg -0.2984849E-02 Delta_ex -0.2197693E-01 Delta_ec 0.7814022E-02 Delta_et -0.8655175E-01 Pxc 0.5835295E+01 Qxc -0.2812500E+01 3,-1 73 3 +3 -2.348562 -0.021367 -0.032338 Rho 0.4986627E-02 |GRAD(Rho)| 0.8210281E-17 GRAD(Rho)x -0.1167314E-17 GRAD(Rho)y -0.6565491E-17 GRAD(Rho)z 0.4789616E-17 Laplacian 0.2039360E-01 (-1/4)Del**2(Rho)) -0.5098400E-02 Diamond 0.2055173E-03 Metallicity 0.4918100E+00 Ellipticity -0.5146970E+00 Gb(Abramov) 0.3816840E-02 Vb(Abramov) -0.2535281E-02 Hb(Abramov) 0.1281559E-02 Ex_ueg -0.6292079E-03 Ec_ueg -0.1463373E-03 Delta_ex -0.7633508E-03 Delta_ec 0.1956924E-03 Delta_et -0.1242488E-02 Pxc 0.4299709E+01 Qxc -0.3900768E+01 3,+3 74 3 +1 -2.190273 1.347526 1.104422 Rho 0.2713874E-01 |GRAD(Rho)| 0.1639022E-16 GRAD(Rho)x -0.8638137E-17 GRAD(Rho)y -0.1245199E-16 GRAD(Rho)z -0.6242579E-17 Laplacian 0.1070909E+00 (-1/4)Del**2(Rho)) -0.2677272E-01 Diamond 0.1516150E-01 Metallicity 0.1577042E+01 Ellipticity -0.3322955E+01 Gb(Abramov) 0.2488544E-01 Vb(Abramov) -0.2299815E-01 Hb(Abramov) 0.1887289E-02 Ex_ueg -0.6023347E-02 Ec_ueg -0.1196988E-02 Delta_ex -0.6757791E-02 Delta_ec 0.1726695E-02 Delta_et -0.1556438E-01 Pxc 0.5032088E+01 Qxc -0.3913713E+01 3,+1 75 3 -1 -2.822118 1.776140 -0.550828 Rho 0.1897959E+00 |GRAD(Rho)| 0.1326558E-15 GRAD(Rho)x -0.8515053E-16 GRAD(Rho)y 0.9372928E-16 GRAD(Rho)z 0.3951917E-16 Laplacian 0.7634756E+00 (-1/4)Del**2(Rho)) -0.1908689E+00 Diamond 0.2007445E+01 Metallicity 0.5657562E+01 Ellipticity 0.2375677E-01 Gb(Abramov) 0.3072214E+00 Vb(Abramov) -0.4235739E+00 Hb(Abramov) -0.1163525E+00 Ex_ueg -0.8055654E-01 Ec_ueg -0.1103807E-01 Delta_ex -0.8662229E-01 Delta_ec 0.1764545E-01 Delta_et -0.2395993E+00 Pxc 0.7298061E+01 Qxc -0.4909044E+01 3,-1 76 3 -1 -1.709637 0.543029 1.750127 Rho 0.4916728E-01 |GRAD(Rho)| 0.2821053E-14 GRAD(Rho)x -0.1679088E-14 GRAD(Rho)y -0.1449430E-14 GRAD(Rho)z 0.1743031E-14 Laplacian 0.1970511E+00 (-1/4)Del**2(Rho)) -0.4926277E-01 Diamond 0.9680737E-01 Metallicity 0.2307604E+01 Ellipticity 0.1420463E-01 Gb(Abramov) 0.5178834E-01 Vb(Abramov) -0.5431391E-01 Hb(Abramov) -0.2525573E-02 Ex_ueg -0.1330311E-01 Ec_ueg -0.2368896E-02 Delta_ex -0.1611485E-01 Delta_ec 0.5806888E-02 Delta_et -0.6094658E-01 Pxc 0.5615744E+01 Qxc -0.2775126E+01 3,-1 77 3 -1 -3.054335 -2.013472 -0.879714 Rho 0.1425427E+00 |GRAD(Rho)| 0.1688456E-15 GRAD(Rho)x 0.4552971E-16 GRAD(Rho)y -0.4717635E-16 GRAD(Rho)z -0.1555966E-15 Laplacian 0.5473434E+00 (-1/4)Del**2(Rho)) -0.1368358E+00 Diamond 0.1039310E+01 Metallicity 0.4896979E+01 Ellipticity 0.7667466E-01 Gb(Abramov) 0.2029043E+00 Vb(Abramov) -0.2689727E+00 Hb(Abramov) -0.6606842E-01 Ex_ueg -0.5499354E-01 Ec_ueg -0.7967861E-02 Delta_ex -0.5800734E-01 Delta_ec 0.1398732E-01 Delta_et -0.1846796E+00 Pxc 0.6901920E+01 Qxc -0.4147138E+01 3,-1 78 3 -1 -2.806460 -1.777752 0.569672 Rho 0.1429426E+00 |GRAD(Rho)| 0.1478669E-15 GRAD(Rho)x 0.1043545E-16 GRAD(Rho)y -0.1474379E-15 GRAD(Rho)z 0.4214836E-17 Laplacian 0.6011594E+00 (-1/4)Del**2(Rho)) -0.1502899E+00 Diamond 0.1126688E+01 Metallicity 0.4479466E+01 Ellipticity 0.2530143E-01 Gb(Abramov) 0.2123963E+00 Vb(Abramov) -0.2745027E+00 Hb(Abramov) -0.6210644E-01 Ex_ueg -0.5519935E-01 Ec_ueg -0.7993280E-02 Delta_ex -0.6355622E-01 Delta_ec 0.1499817E-01 Delta_et -0.1973428E+00 Pxc 0.6905719E+01 Qxc -0.4237597E+01 3,-1 79 3 +1 1.659934 0.474812 0.540424 Rho 0.7475119E-02 |GRAD(Rho)| 0.1955396E-17 GRAD(Rho)x 0.1463799E-17 GRAD(Rho)y 0.1293274E-17 GRAD(Rho)z 0.9116937E-19 Laplacian 0.2936192E-01 (-1/4)Del**2(Rho)) -0.7340479E-02 Diamond 0.6599794E-03 Metallicity 0.6706959E+00 Ellipticity -0.1400879E+01 Gb(Abramov) 0.5714191E-02 Vb(Abramov) -0.4087903E-02 Hb(Abramov) 0.1626288E-02 Ex_ueg -0.1079467E-02 Ec_ueg -0.2549345E-03 Delta_ex -0.1300734E-02 Delta_ec 0.4235909E-03 Delta_et -0.2783469E-02 Pxc 0.4234291E+01 Qxc -0.3070731E+01 3,+1 80 3 +1 0.533864 1.671423 0.489807 Rho 0.7294294E-02 |GRAD(Rho)| 0.1785405E-16 GRAD(Rho)x -0.1536503E-16 GRAD(Rho)y -0.8913389E-17 GRAD(Rho)z -0.1798491E-17 Laplacian 0.2847784E-01 (-1/4)Del**2(Rho)) -0.7119460E-02 Diamond 0.6204047E-03 Metallicity 0.6638626E+00 Ellipticity -0.1400523E+01 Gb(Abramov) 0.5534031E-02 Vb(Abramov) -0.3948601E-02 Hb(Abramov) 0.1585430E-02 Ex_ueg -0.1044791E-02 Ec_ueg -0.2469435E-03 Delta_ex -0.1254622E-02 Delta_ec 0.4120958E-03 Delta_et -0.2689623E-02 Pxc 0.4230890E+01 Qxc -0.3044491E+01 3,+1 81 3 -1 -0.545287 2.760204 -1.774993 Rho 0.1243474E+00 |GRAD(Rho)| 0.8001504E-13 GRAD(Rho)x 0.7756328E-13 GRAD(Rho)y 0.1964933E-13 GRAD(Rho)z 0.4976962E-15 Laplacian 0.5128152E+00 (-1/4)Del**2(Rho)) -0.1282038E+00 Diamond 0.8159525E+00 Metallicity 0.4162747E+01 Ellipticity 0.9000776E-02 Gb(Abramov) 0.1744159E+00 Vb(Abramov) -0.2206279E+00 Hb(Abramov) -0.4621206E-01 Ex_ueg -0.4583887E-01 Ec_ueg -0.6822219E-02 Delta_ex -0.5244660E-01 Delta_ec 0.1330490E-01 Delta_et -0.1715170E+00 Pxc 0.6719055E+01 Qxc -0.3941901E+01 3,-1 82 3 +1 0.186134 2.976597 -0.155171 Rho 0.5678857E-02 |GRAD(Rho)| 0.3354591E-17 GRAD(Rho)x 0.5492772E-18 GRAD(Rho)y 0.1242601E-17 GRAD(Rho)z -0.3067168E-17 Laplacian 0.2349654E-01 (-1/4)Del**2(Rho)) -0.5874135E-02 Diamond 0.6101185E-03 Metallicity 0.5301240E+00 Ellipticity -0.2437068E+01 Gb(Abramov) 0.4435093E-02 Vb(Abramov) -0.2996051E-02 Hb(Abramov) 0.1439042E-02 Ex_ueg -0.7482836E-03 Ec_ueg -0.1762427E-03 Delta_ex -0.1166097E-02 Delta_ec 0.6837197E-03 Delta_et -0.3880036E-02 Pxc 0.4245756E+01 Qxc -0.1705520E+01 3,+1 83 3 +1 -1.682506 -0.550199 0.522570 Rho 0.9728622E-02 |GRAD(Rho)| 0.1411774E-16 GRAD(Rho)x -0.1261514E-16 GRAD(Rho)y 0.3504089E-17 GRAD(Rho)z 0.5281111E-17 Laplacian 0.3702170E-01 (-1/4)Del**2(Rho)) -0.9255426E-02 Diamond 0.1201005E-02 Metallicity 0.8252312E+00 Ellipticity -0.1567621E+01 Gb(Abramov) 0.7443262E-02 Vb(Abramov) -0.5631097E-02 Hb(Abramov) 0.1812164E-02 Ex_ueg -0.1533864E-02 Ec_ueg -0.3557565E-03 Delta_ex -0.1756225E-02 Delta_ec 0.5405931E-03 Delta_et -0.3798157E-02 Pxc 0.4311555E+01 Qxc -0.3248701E+01 3,+1 84 3 -1 -2.136056 -0.900505 -3.326151 Rho 0.2242352E+00 |GRAD(Rho)| 0.5848572E-15 GRAD(Rho)x -0.7779151E-16 GRAD(Rho)y 0.5734345E-15 GRAD(Rho)z 0.8473040E-16 Laplacian 0.8480967E+00 (-1/4)Del**2(Rho)) -0.2120242E+00 Diamond 0.2741955E+01 Metallicity 0.6724718E+01 Ellipticity 0.1339117E-01 Gb(Abramov) 0.3789833E+00 Vb(Abramov) -0.5459424E+00 Hb(Abramov) -0.1669591E+00 Ex_ueg -0.1006136E+00 Ec_ueg -0.1335615E-01 Delta_ex -0.1005435E+00 Delta_ec 0.1888093E-01 Delta_et -0.2598423E+00 Pxc 0.7533131E+01 Qxc -0.5325133E+01 3,-1 85 3 -1 0.055634 -2.188535 -1.008807 Rho 0.6123369E-02 |GRAD(Rho)| 0.7049826E-14 GRAD(Rho)x 0.4883288E-14 GRAD(Rho)y 0.5030490E-14 GRAD(Rho)z 0.7400808E-15 Laplacian 0.2356114E-01 (-1/4)Del**2(Rho)) -0.5890284E-02 Diamond 0.8262180E-03 Metallicity 0.5994242E+00 Ellipticity 0.3608355E+01 Gb(Abramov) 0.4515319E-02 Vb(Abramov) -0.3140354E-02 Hb(Abramov) 0.1374965E-02 Ex_ueg -0.8273811E-03 Ec_ueg -0.1955717E-03 Delta_ex -0.1292980E-02 Delta_ec 0.8742228E-03 Delta_et -0.4993069E-02 Pxc 0.4230577E+01 Qxc -0.1479006E+01 3,-1 86 3 +1 1.650495 -0.603904 -0.532688 Rho 0.8558085E-02 |GRAD(Rho)| 0.1803106E-17 GRAD(Rho)x -0.1360348E-17 GRAD(Rho)y 0.1110801E-17 GRAD(Rho)z 0.4083708E-18 Laplacian 0.3408356E-01 (-1/4)Del**2(Rho)) -0.8520891E-02 Diamond 0.8996946E-03 Metallicity 0.7239288E+00 Ellipticity -0.1413204E+01 Gb(Abramov) 0.6708680E-02 Vb(Abramov) -0.4896470E-02 Hb(Abramov) 0.1812211E-02 Ex_ueg -0.1292867E-02 Ec_ueg -0.3031051E-03 Delta_ex -0.1552256E-02 Delta_ec 0.4744513E-03 Delta_et -0.3242981E-02 Pxc 0.4265408E+01 Qxc -0.3271686E+01 3,+1 87 3 -1 -2.744496 -0.519283 1.839037 Rho 0.1206685E+00 |GRAD(Rho)| 0.1239177E-15 GRAD(Rho)x -0.7775762E-16 GRAD(Rho)y -0.4167402E-16 GRAD(Rho)z -0.8702078E-16 Laplacian 0.5001859E+00 (-1/4)Del**2(Rho)) -0.1250465E+00 Diamond 0.7840426E+00 Metallicity 0.4059491E+01 Ellipticity 0.1269512E-01 Gb(Abramov) 0.1679685E+00 Vb(Abramov) -0.2108905E+00 Hb(Abramov) -0.4292201E-01 Ex_ueg -0.4403962E-01 Ec_ueg -0.6593264E-02 Delta_ex -0.5100545E-01 Delta_ec 0.1346005E-01 Delta_et -0.1733136E+00 Pxc 0.6679487E+01 Qxc -0.3789396E+01 3,-1 88 3 -1 -1.748203 -0.633079 -1.850236 Rho 0.5141687E-01 |GRAD(Rho)| 0.1358607E-13 GRAD(Rho)x -0.7441481E-15 GRAD(Rho)y -0.1058085E-13 GRAD(Rho)z 0.8489585E-14 Laplacian 0.2104371E+00 (-1/4)Del**2(Rho)) -0.5260929E-01 Diamond 0.1149165E+00 Metallicity 0.2328092E+01 Ellipticity 0.1365805E-01 Gb(Abramov) 0.5548607E-01 Vb(Abramov) -0.5836284E-01 Hb(Abramov) -0.2876778E-02 Ex_ueg -0.1412080E-01 Ec_ueg -0.2493341E-02 Delta_ex -0.1761468E-01 Delta_ec 0.6573567E-02 Delta_et -0.6991751E-01 Pxc 0.5663403E+01 Qxc -0.2679624E+01 3,-1 89 3 +1 -0.645951 -1.690517 0.491134 Rho 0.8990792E-02 |GRAD(Rho)| 0.7529663E-17 GRAD(Rho)x -0.2042673E-17 GRAD(Rho)y -0.4241690E-17 GRAD(Rho)z 0.5876341E-17 Laplacian 0.3412831E-01 (-1/4)Del**2(Rho)) -0.8532077E-02 Diamond 0.9809356E-03 Metallicity 0.7849253E+00 Ellipticity -0.1511382E+01 Gb(Abramov) 0.6804225E-02 Vb(Abramov) -0.5076373E-02 Hb(Abramov) 0.1727852E-02 Ex_ueg -0.1380752E-02 Ec_ueg -0.3224990E-03 Delta_ex -0.1581279E-02 Delta_ec 0.4882592E-03 Delta_et -0.3369102E-02 Pxc 0.4281415E+01 Qxc -0.3238606E+01 3,+1 90 3 +1 -0.349956 -1.022497 -2.758648 Rho 0.3376129E-02 |GRAD(Rho)| 0.5757971E-11 GRAD(Rho)x 0.5626900E-11 GRAD(Rho)y 0.1166266E-11 GRAD(Rho)z -0.3633867E-12 Laplacian 0.1363485E-01 (-1/4)Del**2(Rho)) -0.3408712E-02 Diamond 0.1323860E-03 Metallicity 0.3839971E+00 Ellipticity -0.1278895E+01 Gb(Abramov) 0.2490631E-02 Vb(Abramov) -0.1572549E-02 Hb(Abramov) 0.9180814E-03 Ex_ueg -0.3740622E-03 Ec_ueg -0.7771465E-04 Delta_ex -0.5432261E-03 Delta_ec 0.2746441E-03 Delta_et -0.1389113E-02 Pxc 0.4813278E+01 Qxc -0.1977928E+01 3,+1 91 3 +1 0.019422 -3.082651 0.043106 Rho 0.4960447E-02 |GRAD(Rho)| 0.1814380E-12 GRAD(Rho)x -0.8293724E-13 GRAD(Rho)y -0.1574631E-12 GRAD(Rho)z -0.3530621E-13 Laplacian 0.1951528E-01 (-1/4)Del**2(Rho)) -0.4878820E-02 Diamond 0.4730241E-03 Metallicity 0.5094557E+00 Ellipticity -0.4709980E+01 Gb(Abramov) 0.3666804E-02 Vb(Abramov) -0.2454787E-02 Hb(Abramov) 0.1212016E-02 Ex_ueg -0.6248073E-03 Ec_ueg -0.1452111E-03 Delta_ex -0.9901539E-03 Delta_ec 0.6526547E-03 Delta_et -0.3520588E-02 Pxc 0.4302753E+01 Qxc -0.1517117E+01 3,+1 92 3 -1 -2.069765 -3.108903 -0.712523 Rho 0.1335484E+00 |GRAD(Rho)| 0.7080752E-13 GRAD(Rho)x -0.4637491E-13 GRAD(Rho)y 0.3295244E-13 GRAD(Rho)z 0.4215695E-13 Laplacian 0.4893870E+00 (-1/4)Del**2(Rho)) -0.1223467E+00 Diamond 0.8758860E+00 Metallicity 0.4913133E+01 Ellipticity 0.1256830E+00 Gb(Abramov) 0.1817488E+00 Vb(Abramov) -0.2411509E+00 Hb(Abramov) -0.5940205E-01 Ex_ueg -0.5041618E-01 Ec_ueg -0.7398845E-02 Delta_ex -0.5124220E-01 Delta_ec 0.1305102E-01 Delta_et -0.1712946E+00 Pxc 0.6814061E+01 Qxc -0.3926298E+01 3,-1 93 3 +3 -1.166462 1.102766 -1.126481 Rho 0.5231632E-02 |GRAD(Rho)| 0.5306887E-17 GRAD(Rho)x 0.1652856E-18 GRAD(Rho)y -0.3894366E-17 GRAD(Rho)z 0.3601339E-17 Laplacian 0.2009694E-01 (-1/4)Del**2(Rho)) -0.5024234E-02 Diamond 0.1465341E-03 Metallicity 0.5406032E+00 Ellipticity -0.2828805E+00 Gb(Abramov) 0.3802176E-02 Vb(Abramov) -0.2580117E-02 Hb(Abramov) 0.1222059E-02 Ex_ueg -0.6707612E-03 Ec_ueg -0.1568944E-03 Delta_ex -0.7006893E-03 Delta_ec 0.8416533E-04 Delta_et -0.6840074E-03 Pxc 0.4275239E+01 Qxc -0.8325154E+01 3,+3 94 3 -1 -1.961221 0.883411 3.058508 Rho 0.1647310E+00 |GRAD(Rho)| 0.8768661E-13 GRAD(Rho)x -0.2518669E-13 GRAD(Rho)y 0.8385168E-13 GRAD(Rho)z 0.4844391E-14 Laplacian 0.6427693E+00 (-1/4)Del**2(Rho)) -0.1606923E+00 Diamond 0.1457633E+01 Metallicity 0.5307016E+01 Ellipticity 0.5963262E-01 Gb(Abramov) 0.2492610E+00 Vb(Abramov) -0.3378297E+00 Hb(Abramov) -0.8856869E-01 Ex_ueg -0.6669383E-01 Ec_ueg -0.9393087E-02 Delta_ex -0.7064497E-01 Delta_ec 0.1592733E-01 Delta_et -0.2146367E+00 Pxc 0.7100310E+01 Qxc -0.4435454E+01 3,-1 95 3 +1 -0.212612 2.953641 0.242006 Rho 0.5631199E-02 |GRAD(Rho)| 0.4497520E-17 GRAD(Rho)x 0.2895794E-17 GRAD(Rho)y 0.6477992E-18 GRAD(Rho)z 0.3379707E-17 Laplacian 0.2353188E-01 (-1/4)Del**2(Rho)) -0.5882970E-02 Diamond 0.5814128E-03 Metallicity 0.5219450E+00 Ellipticity -0.2114198E+01 Gb(Abramov) 0.4433744E-02 Vb(Abramov) -0.2984519E-02 Hb(Abramov) 0.1449225E-02 Ex_ueg -0.7399225E-03 Ec_ueg -0.1741762E-03 Delta_ex -0.1147854E-02 Delta_ec 0.6525880E-03 Delta_et -0.3707970E-02 Pxc 0.4248127E+01 Qxc -0.1758926E+01 3,+1 96 3 +1 -0.527306 1.627695 -0.565852 Rho 0.8579025E-02 |GRAD(Rho)| 0.3878740E-15 GRAD(Rho)x -0.2113080E-15 GRAD(Rho)y 0.2968613E-15 GRAD(Rho)z -0.1329231E-15 Laplacian 0.3292248E-01 (-1/4)Del**2(Rho)) -0.8230619E-02 Diamond 0.8760860E-03 Metallicity 0.7525185E+00 Ellipticity -0.1459007E+01 Gb(Abramov) 0.6519362E-02 Vb(Abramov) -0.4808104E-02 Hb(Abramov) 0.1711257E-02 Ex_ueg -0.1297087E-02 Ec_ueg -0.3040417E-03 Delta_ex -0.1502178E-02 Delta_ec 0.4616308E-03 Delta_et -0.3154581E-02 Pxc 0.4266146E+01 Qxc -0.3254068E+01 3,+1 97 3 +1 -2.007452 2.011781 2.046962 Rho 0.1215713E-01 |GRAD(Rho)| 0.1538920E-16 GRAD(Rho)x 0.3056224E-17 GRAD(Rho)y 0.1347026E-16 GRAD(Rho)z -0.6785200E-17 Laplacian 0.5644047E-01 (-1/4)Del**2(Rho)) -0.1411012E-01 Diamond 0.1809045E-02 Metallicity 0.7847673E+00 Ellipticity -0.1115255E+01 Gb(Abramov) 0.1125227E-01 Vb(Abramov) -0.8394425E-02 Hb(Abramov) 0.2857846E-02 Ex_ueg -0.2064555E-02 Ec_ueg -0.4668275E-03 Delta_ex -0.2643753E-02 Delta_ec 0.4824851E-03 Delta_et -0.3820219E-02 Pxc 0.4422522E+01 Qxc -0.5479449E+01 3,+1 98 3 +1 -1.768922 1.722663 -1.720202 Rho 0.1111677E-01 |GRAD(Rho)| 0.1540265E-16 GRAD(Rho)x -0.1919254E-17 GRAD(Rho)y 0.9040221E-17 GRAD(Rho)z 0.1232204E-16 Laplacian 0.5393117E-01 (-1/4)Del**2(Rho)) -0.1348279E-01 Diamond 0.1985665E-02 Metallicity 0.7075188E+00 Ellipticity -0.1287812E+01 Gb(Abramov) 0.1057842E-01 Vb(Abramov) -0.7674040E-02 Hb(Abramov) 0.2904376E-02 Ex_ueg -0.1832413E-02 Ec_ueg -0.4189513E-03 Delta_ex -0.2610865E-02 Delta_ec 0.7226594E-03 Delta_et -0.5299929E-02 Pxc 0.4373810E+01 Qxc -0.3612857E+01 3,+1 99 3 +1 -1.381536 2.155913 1.097464 Rho 0.2624456E-01 |GRAD(Rho)| 0.3659446E-16 GRAD(Rho)x 0.2236343E-16 GRAD(Rho)y -0.2378152E-16 GRAD(Rho)z -0.1653695E-16 Laplacian 0.1044568E+00 (-1/4)Del**2(Rho)) -0.2611419E-01 Diamond 0.1499689E-01 Metallicity 0.1529005E+01 Ellipticity -0.4198774E+01 Gb(Abramov) 0.2406425E-01 Vb(Abramov) -0.2201431E-01 Hb(Abramov) 0.2049944E-02 Ex_ueg -0.5760200E-02 Ec_ueg -0.1151578E-02 Delta_ex -0.6621325E-02 Delta_ec 0.1843422E-02 Delta_et -0.1645204E-01 Pxc 0.5002006E+01 Qxc -0.3591866E+01 3,+1 100 3 -1 -1.756790 1.686660 0.501821 Rho 0.4452837E-01 |GRAD(Rho)| 0.1232971E-15 GRAD(Rho)x 0.7928864E-16 GRAD(Rho)y -0.5603102E-16 GRAD(Rho)z 0.7600003E-16 Laplacian 0.1823471E+00 (-1/4)Del**2(Rho)) -0.4558677E-01 Diamond 0.8072080E-01 Metallicity 0.2114019E+01 Ellipticity 0.1080774E-01 Gb(Abramov) 0.4645306E-01 Vb(Abramov) -0.4731936E-01 Hb(Abramov) -0.8662960E-03 Ex_ueg -0.1165648E-01 Ec_ueg -0.2114732E-02 Delta_ex -0.1466805E-01 Delta_ec 0.5595793E-02 Delta_et -0.5726239E-01 Pxc 0.5512035E+01 Qxc -0.2621264E+01 3,-1 101 3 +1 -1.764326 -1.739741 1.765762 Rho 0.1226587E-01 |GRAD(Rho)| 0.3270670E-13 GRAD(Rho)x -0.2155131E-13 GRAD(Rho)y -0.1932833E-14 GRAD(Rho)z -0.2452618E-13 Laplacian 0.6124020E-01 (-1/4)Del**2(Rho)) -0.1531005E-01 Diamond 0.2498020E-02 Metallicity 0.7340750E+00 Ellipticity -0.1251597E+01 Gb(Abramov) 0.1207982E-01 Vb(Abramov) -0.8849591E-02 Hb(Abramov) 0.3230229E-02 Ex_ueg -0.2089213E-02 Ec_ueg -0.4718563E-03 Delta_ex -0.3019057E-02 Delta_ec 0.7794821E-03 Delta_et -0.5887901E-02 Pxc 0.4427648E+01 Qxc -0.3873158E+01 3,+1 102 3 +3 -1.131302 -1.134363 1.137939 Rho 0.5431240E-02 |GRAD(Rho)| 0.4319344E-15 GRAD(Rho)x -0.2897190E-15 GRAD(Rho)y -0.3050761E-15 GRAD(Rho)z 0.9776912E-16 Laplacian 0.2121831E-01 (-1/4)Del**2(Rho)) -0.5304577E-02 Diamond 0.1628294E-03 Metallicity 0.5450054E+00 Ellipticity -0.2016021E+00 Gb(Abramov) 0.4018222E-02 Vb(Abramov) -0.2731866E-02 Hb(Abramov) 0.1286355E-02 Ex_ueg -0.7050995E-03 Ec_ueg -0.1655178E-03 Delta_ex -0.7475447E-03 Delta_ec 0.8880317E-04 Delta_et -0.7262843E-03 Pxc 0.4259962E+01 Qxc -0.8417995E+01 3,+3 103 3 -1 -1.821541 2.745351 -0.556672 Rho 0.1347222E+00 |GRAD(Rho)| 0.4561416E-15 GRAD(Rho)x 0.3530840E-15 GRAD(Rho)y 0.6204347E-16 GRAD(Rho)z -0.2820416E-15 Laplacian 0.5499980E+00 (-1/4)Del**2(Rho)) -0.1374995E+00 Diamond 0.9711407E+00 Metallicity 0.4435924E+01 Ellipticity 0.1361245E-01 Gb(Abramov) 0.1933226E+00 Vb(Abramov) -0.2491456E+00 Hb(Abramov) -0.5582306E-01 Ex_ueg -0.5100789E-01 Ec_ueg -0.7472811E-02 Delta_ex -0.5743856E-01 Delta_ec 0.1415187E-01 Delta_et -0.1850730E+00 Pxc 0.6825797E+01 Qxc -0.4058726E+01 3,-1 104 3 -1 -1.782657 -0.539598 2.814003 Rho 0.1463097E+00 |GRAD(Rho)| 0.4882669E-09 GRAD(Rho)x 0.3433580E-09 GRAD(Rho)y -0.3337974E-09 GRAD(Rho)z 0.9533704E-10 Laplacian 0.6175792E+00 (-1/4)Del**2(Rho)) -0.1543948E+00 Diamond 0.1211141E+01 Metallicity 0.4532893E+01 Ellipticity 0.1732387E-01 Gb(Abramov) 0.2195724E+00 Vb(Abramov) -0.2847500E+00 Hb(Abramov) -0.6517759E-01 Ex_ueg -0.5693977E-01 Ec_ueg -0.8207699E-02 Delta_ex -0.6588202E-01 Delta_ec 0.1570211E-01 Delta_et -0.2081491E+00 Pxc 0.6937361E+01 Qxc -0.4195744E+01 3,-1 105 3 -1 0.016017 -3.373786 -1.193513 Rho 0.2611958E-01 |GRAD(Rho)| 0.8545816E-14 GRAD(Rho)x -0.8304500E-14 GRAD(Rho)y 0.4054978E-15 GRAD(Rho)z -0.1975302E-14 Laplacian 0.8654481E-01 (-1/4)Del**2(Rho)) -0.2163620E-01 Diamond 0.2865117E-01 Metallicity 0.1830835E+01 Ellipticity 0.9860442E-02 Gb(Abramov) 0.2102619E-01 Vb(Abramov) -0.2041617E-01 Hb(Abramov) 0.6100150E-03 Ex_ueg -0.5723654E-02 Ec_ueg -0.1145247E-02 Delta_ex -0.7149516E-02 Delta_ec 0.4509966E-02 Delta_et -0.3962865E-01 Pxc 0.4997746E+01 Qxc -0.1585270E+01 3,-1 106 3 -1 -1.786180 0.466790 -2.845574 Rho 0.1258379E+00 |GRAD(Rho)| 0.2336351E-15 GRAD(Rho)x -0.1586594E-15 GRAD(Rho)y -0.1598927E-15 GRAD(Rho)z -0.6202314E-16 Laplacian 0.5177278E+00 (-1/4)Del**2(Rho)) -0.1294320E+00 Diamond 0.8463118E+00 Metallicity 0.4205948E+01 Ellipticity 0.1351633E-01 Gb(Abramov) 0.1770187E+00 Vb(Abramov) -0.2246054E+00 Hb(Abramov) -0.4758670E-01 Ex_ueg -0.4657293E-01 Ec_ueg -0.6915243E-02 Delta_ex -0.5323554E-01 Delta_ec 0.1363382E-01 Delta_et -0.1765344E+00 Pxc 0.6734821E+01 Qxc -0.3904668E+01 3,-1 107 3 +1 -0.210004 0.186482 2.926420 Rho 0.5879450E-02 |GRAD(Rho)| 0.5555618E-15 GRAD(Rho)x -0.4317565E-15 GRAD(Rho)y 0.3436213E-15 GRAD(Rho)z 0.6449593E-16 Laplacian 0.2445735E-01 (-1/4)Del**2(Rho)) -0.6114336E-02 Diamond 0.6568187E-03 Metallicity 0.5396328E+00 Ellipticity -0.2486347E+01 Gb(Abramov) 0.4626140E-02 Vb(Abramov) -0.3137944E-02 Hb(Abramov) 0.1488196E-02 Ex_ueg -0.7837315E-03 Ec_ueg -0.1849533E-03 Delta_ex -0.1215881E-02 Delta_ec 0.7001442E-03 Delta_et -0.4019335E-02 Pxc 0.4237457E+01 Qxc -0.1736615E+01 3,+1 108 3 +3 -0.085217 -2.416597 -0.172167 Rho 0.3873072E-02 |GRAD(Rho)| 0.7393119E-17 GRAD(Rho)x -0.3607152E-17 GRAD(Rho)y 0.3097597E-17 GRAD(Rho)z -0.5661408E-17 Laplacian 0.1556782E-01 (-1/4)Del**2(Rho)) -0.3891954E-02 Diamond 0.1010960E-03 Metallicity 0.4228095E+00 Ellipticity -0.3791138E+00 Gb(Abramov) 0.2868895E-02 Vb(Abramov) -0.1845836E-02 Hb(Abramov) 0.1023059E-02 Ex_ueg -0.4492201E-03 Ec_ueg -0.9874358E-04 Delta_ex -0.5332102E-03 Delta_ec 0.1254565E-03 Delta_et -0.7813771E-03 Pxc 0.4549360E+01 Qxc -0.4250158E+01 3,+3 109 3 +1 0.342734 -0.825276 -1.960433 Rho 0.5280883E-02 |GRAD(Rho)| 0.7738574E-13 GRAD(Rho)x 0.6470347E-13 GRAD(Rho)y 0.4181790E-13 GRAD(Rho)z -0.7299101E-14 Laplacian 0.2043927E-01 (-1/4)Del**2(Rho)) -0.5109818E-02 Diamond 0.5147045E-03 Metallicity 0.5399149E+00 Ellipticity -0.3817810E+01 Gb(Abramov) 0.3866356E-02 Vb(Abramov) -0.2622895E-02 Hb(Abramov) 0.1243461E-02 Ex_ueg -0.6791939E-03 Ec_ueg -0.1590203E-03 Delta_ex -0.1028517E-02 Delta_ec 0.6462587E-03 Delta_et -0.3566716E-02 Pxc 0.4271115E+01 Qxc -0.1591494E+01 3,+1 110 3 -1 -0.840586 3.003899 2.005612 Rho 0.1523951E+00 |GRAD(Rho)| 0.7225904E-16 GRAD(Rho)x 0.1451476E-16 GRAD(Rho)y -0.6542482E-16 GRAD(Rho)z 0.2702374E-16 Laplacian 0.5884954E+00 (-1/4)Del**2(Rho)) -0.1471239E+00 Diamond 0.1203714E+01 Metallicity 0.5091218E+01 Ellipticity 0.6095344E-01 Gb(Abramov) 0.2229225E+00 Vb(Abramov) -0.2987211E+00 Hb(Abramov) -0.7579864E-01 Ex_ueg -0.6011917E-01 Ec_ueg -0.8597010E-02 Delta_ex -0.6333081E-01 Delta_ec 0.1466759E-01 Delta_et -0.1951969E+00 Pxc 0.6993033E+01 Qxc -0.4317739E+01 3,-1 111 3 +1 0.149331 -0.180356 2.938024 Rho 0.5878422E-02 |GRAD(Rho)| 0.3717642E-14 GRAD(Rho)x 0.2576204E-14 GRAD(Rho)y -0.2633725E-14 GRAD(Rho)z 0.4975199E-15 Laplacian 0.2436214E-01 (-1/4)Del**2(Rho)) -0.6090534E-02 Diamond 0.6574074E-03 Metallicity 0.5415839E+00 Ellipticity -0.2509910E+01 Gb(Abramov) 0.4610112E-02 Vb(Abramov) -0.3129690E-02 Hb(Abramov) 0.1480422E-02 Ex_ueg -0.7835489E-03 Ec_ueg -0.1849086E-03 Delta_ex -0.1213574E-02 Delta_ec 0.7018272E-03 Delta_et -0.4026869E-02 Pxc 0.4237493E+01 Qxc -0.1729163E+01 3,+1 112 3 -1 -0.260045 -1.262157 -3.514941 Rho 0.4837890E-02 |GRAD(Rho)| 0.7684508E-17 GRAD(Rho)x 0.7662939E-17 GRAD(Rho)y 0.4142015E-18 GRAD(Rho)z -0.3993270E-18 Laplacian 0.1910672E-01 (-1/4)Del**2(Rho)) -0.4776681E-02 Diamond 0.6673434E-03 Metallicity 0.4990993E+00 Ellipticity 0.1761092E+00 Gb(Abramov) 0.3581793E-02 Vb(Abramov) -0.2386906E-02 Hb(Abramov) 0.1194887E-02 Ex_ueg -0.6043099E-03 Ec_ueg -0.1399432E-03 Delta_ex -0.1177878E-02 Delta_ec 0.1019294E-02 Delta_et -0.5311639E-02 Pxc 0.4318250E+01 Qxc -0.1155582E+01 3,-1 113 3 -1 -0.567348 -1.815349 2.778927 Rho 0.1320816E+00 |GRAD(Rho)| 0.1551469E-14 GRAD(Rho)x 0.8683782E-15 GRAD(Rho)y -0.1253026E-14 GRAD(Rho)z -0.2879268E-15 Laplacian 0.5516235E+00 (-1/4)Del**2(Rho)) -0.1379059E+00 Diamond 0.9637106E+00 Metallicity 0.4279313E+01 Ellipticity 0.9439809E-02 Gb(Abramov) 0.1902943E+00 Vb(Abramov) -0.2426828E+00 Hb(Abramov) -0.5238845E-01 Ex_ueg -0.4967921E-01 Ec_ueg -0.7306543E-02 Delta_ex -0.5748096E-01 Delta_ec 0.1452714E-01 Delta_et -0.1899090E+00 Pxc 0.6799277E+01 Qxc -0.3956799E+01 3,-1 114 3 -1 0.871976 2.001352 -2.968777 Rho 0.1423451E+00 |GRAD(Rho)| 0.5137826E-13 GRAD(Rho)x -0.2228292E-13 GRAD(Rho)y -0.3134957E-13 GRAD(Rho)z -0.3406468E-13 Laplacian 0.5610137E+00 (-1/4)Del**2(Rho)) -0.1402534E+00 Diamond 0.1051603E+01 Metallicity 0.4766622E+01 Ellipticity 0.7865798E-01 Gb(Abramov) 0.2049248E+00 Vb(Abramov) -0.2695962E+00 Hb(Abramov) -0.6467136E-01 Ex_ueg -0.5489193E-01 Ec_ueg -0.7955307E-02 Delta_ex -0.5930895E-01 Delta_ec 0.1411476E-01 Delta_et -0.1858374E+00 Pxc 0.6900040E+01 Qxc -0.4201910E+01 3,-1 115 3 -1 -0.516171 0.417253 0.430456 Rho 0.1787660E+00 |GRAD(Rho)| 0.1916379E-15 GRAD(Rho)x 0.8673617E-16 GRAD(Rho)y 0.1734723E-16 GRAD(Rho)z 0.1700029E-15 Laplacian 0.4678878E+00 (-1/4)Del**2(Rho)) -0.1169719E+00 Diamond 0.1191654E+01 Metallicity 0.8355001E+01 Ellipticity 0.1165228E-02 Gb(Abramov) 0.2408647E+00 Vb(Abramov) -0.3647576E+00 Hb(Abramov) -0.1238928E+00 Ex_ueg -0.7437582E-01 Ec_ueg -0.1030974E-01 Delta_ex -0.5265347E-01 Delta_ec 0.1164830E-01 Delta_et -0.1593283E+00 Pxc 0.7214134E+01 Qxc -0.4520271E+01 3,-1 116 3 -1 -0.520391 1.747627 1.707684 Rho 0.3976314E-01 |GRAD(Rho)| 0.5358098E-16 GRAD(Rho)x -0.2082007E-17 GRAD(Rho)y 0.4000960E-17 GRAD(Rho)z -0.5339082E-16 Laplacian 0.1645298E+00 (-1/4)Del**2(Rho)) -0.4113245E-01 Diamond 0.6239048E-01 Metallicity 0.1940154E+01 Ellipticity 0.4619583E-01 Gb(Abramov) 0.4072219E-01 Vb(Abramov) -0.4031192E-01 Hb(Abramov) 0.4102662E-03 Ex_ueg -0.1002365E-01 Ec_ueg -0.1857369E-02 Delta_ex -0.1286637E-01 Delta_ec 0.5046658E-02 Delta_et -0.5008991E-01 Pxc 0.5396694E+01 Qxc -0.2549484E+01 3,-1 117 3 -1 -0.554065 1.787154 -2.750368 Rho 0.1310298E+00 |GRAD(Rho)| 0.2229173E-15 GRAD(Rho)x 0.1089352E-15 GRAD(Rho)y 0.1389405E-15 GRAD(Rho)z 0.1360911E-15 Laplacian 0.5549060E+00 (-1/4)Del**2(Rho)) -0.1387265E+00 Diamond 0.9373120E+00 Metallicity 0.4197694E+01 Ellipticity 0.2283136E-01 Gb(Abramov) 0.1895395E+00 Vb(Abramov) -0.2403526E+00 Hb(Abramov) -0.5081305E-01 Ex_ueg -0.4915246E-01 Ec_ueg -0.7240448E-02 Delta_ex -0.5743886E-01 Delta_ec 0.1415452E-01 Delta_et -0.1838858E+00 Pxc 0.6788594E+01 Qxc -0.4057986E+01 3,-1 118 3 -1 -0.589244 -2.791561 1.819928 Rho 0.1590100E+00 |GRAD(Rho)| 0.2591310E-11 GRAD(Rho)x -0.1754976E-11 GRAD(Rho)y -0.5400432E-12 GRAD(Rho)z -0.1828470E-11 Laplacian 0.6622344E+00 (-1/4)Del**2(Rho)) -0.1655586E+00 Diamond 0.1428813E+01 Metallicity 0.4856339E+01 Ellipticity 0.2924304E-01 Gb(Abramov) 0.2443738E+00 Vb(Abramov) -0.3231891E+00 Hb(Abramov) -0.7881525E-01 Ex_ueg -0.6362353E-01 Ec_ueg -0.9022759E-02 Delta_ex -0.7205117E-01 Delta_ec 0.1638426E-01 Delta_et -0.2193810E+00 Pxc 0.7051450E+01 Qxc -0.4397585E+01 3,-1 119 3 -1 -0.824422 2.020108 2.999408 Rho 0.1042055E+00 |GRAD(Rho)| 0.1619975E-15 GRAD(Rho)x 0.1538212E-17 GRAD(Rho)y 0.5013080E-16 GRAD(Rho)z 0.1540380E-15 Laplacian 0.4063274E+00 (-1/4)Del**2(Rho)) -0.1015818E+00 Diamond 0.5265474E+00 Metallicity 0.3913408E+01 Ellipticity 0.2531911E-01 Gb(Abramov) 0.1339764E+00 Vb(Abramov) -0.1663710E+00 Hb(Abramov) -0.3239459E-01 Ex_ueg -0.3621647E-01 Ec_ueg -0.5580506E-02 Delta_ex -0.3990675E-01 Delta_ec 0.1109578E-01 Delta_et -0.1387770E+00 Pxc 0.6489819E+01 Qxc -0.3596570E+01 3,-1 120 3 +3 0.055389 2.251755 -0.008158 Rho 0.4459486E-02 |GRAD(Rho)| 0.1904441E-17 GRAD(Rho)x -0.1270504E-17 GRAD(Rho)y 0.9398335E-18 GRAD(Rho)z 0.1062745E-17 Laplacian 0.1819196E-01 (-1/4)Del**2(Rho)) -0.4547989E-02 Diamond 0.1398485E-03 Metallicity 0.4576587E+00 Ellipticity -0.3300857E+00 Gb(Abramov) 0.3378897E-02 Vb(Abramov) -0.2209805E-02 Hb(Abramov) 0.1169092E-02 Ex_ueg -0.5421233E-03 Ec_ueg -0.1237269E-03 Delta_ex -0.6427082E-03 Delta_ec 0.1404181E-03 Delta_et -0.9135585E-03 Pxc 0.4381611E+01 Qxc -0.4577102E+01 3,+3 121 3 +3 0.002874 -0.042532 2.260509 Rho 0.4808248E-02 |GRAD(Rho)| 0.1584278E-16 GRAD(Rho)x -0.9098203E-17 GRAD(Rho)y 0.8875782E-17 GRAD(Rho)z -0.9457101E-17 Laplacian 0.1972210E-01 (-1/4)Del**2(Rho)) -0.4930525E-02 Diamond 0.1687776E-03 Metallicity 0.4785985E+00 Ellipticity -0.2893288E+00 Gb(Abramov) 0.3680307E-02 Vb(Abramov) -0.2430089E-02 Hb(Abramov) 0.1250218E-02 Ex_ueg -0.5993781E-03 Ec_ueg -0.1386703E-03 Delta_ex -0.7114384E-03 Delta_ec 0.1536547E-03 Delta_et -0.1014468E-02 Pxc 0.4322326E+01 Qxc -0.4630112E+01 3,+3 122 3 -1 0.260592 -0.932594 -2.038515 Rho 0.5295806E-02 |GRAD(Rho)| 0.9364141E-17 GRAD(Rho)x 0.8238950E-17 GRAD(Rho)y -0.7125231E-18 GRAD(Rho)z -0.4393079E-17 Laplacian 0.2050529E-01 (-1/4)Del**2(Rho)) -0.5126322E-02 Diamond 0.6227504E-03 Metallicity 0.5407137E+00 Ellipticity 0.2424164E+01 Gb(Abramov) 0.3879527E-02 Vb(Abramov) -0.2632732E-02 Hb(Abramov) 0.1246795E-02 Ex_ueg -0.6817542E-03 Ec_ueg -0.1596647E-03 Delta_ex -0.1122212E-02 Delta_ec 0.8086896E-03 Delta_et -0.4402831E-02 Pxc 0.4269913E+01 Qxc -0.1387692E+01 3,-1 123 3 -1 -0.061331 3.175223 -3.162478 Rho 0.2302450E+00 |GRAD(Rho)| 0.7720484E-15 GRAD(Rho)x -0.1916734E-15 GRAD(Rho)y 0.5487147E-15 GRAD(Rho)z -0.5081656E-15 Laplacian 0.8381987E+00 (-1/4)Del**2(Rho)) -0.2095497E+00 Diamond 0.2825122E+01 Metallicity 0.7110766E+01 Ellipticity 0.4636457E-03 Gb(Abramov) 0.3880429E+00 Vb(Abramov) -0.5665361E+00 Hb(Abramov) -0.1784932E+00 Ex_ueg -0.1042250E+00 Ec_ueg -0.1376738E-01 Delta_ex -0.1002108E+00 Delta_ec 0.1879423E-01 Delta_et -0.2601184E+00 Pxc 0.7570430E+01 Qxc -0.5331999E+01 3,-1 124 3 -1 0.010963 2.964719 0.021440 Rho 0.5738656E-02 |GRAD(Rho)| 0.8522879E-16 GRAD(Rho)x 0.3077412E-16 GRAD(Rho)y -0.7028152E-16 GRAD(Rho)z -0.3711345E-16 Laplacian 0.2292730E-01 (-1/4)Del**2(Rho)) -0.5731825E-02 Diamond 0.7627484E-03 Metallicity 0.5528541E+00 Ellipticity 0.1912602E+01 Gb(Abramov) 0.4349361E-02 Vb(Abramov) -0.2966896E-02 Hb(Abramov) 0.1382465E-02 Ex_ueg -0.7588081E-03 Ec_ueg -0.1788374E-03 Delta_ex -0.1263087E-02 Delta_ec 0.8864558E-03 Delta_et -0.4951961E-02 Pxc 0.4243006E+01 Qxc -0.1424874E+01 3,-1 125 3 -1 0.104216 3.231559 3.175908 Rho 0.2278828E+00 |GRAD(Rho)| 0.8819739E-15 GRAD(Rho)x -0.2484314E-15 GRAD(Rho)y -0.6832100E-15 GRAD(Rho)z -0.4993835E-15 Laplacian 0.8197408E+00 (-1/4)Del**2(Rho)) -0.2049352E+00 Diamond 0.2735622E+01 Metallicity 0.7146981E+01 Ellipticity 0.3713958E-02 Gb(Abramov) 0.3807348E+00 Vb(Abramov) -0.5565344E+00 Hb(Abramov) -0.1757996E+00 Ex_ueg -0.1028018E+00 Ec_ueg -0.1360551E-01 Delta_ex -0.9778065E-01 Delta_ec 0.1850440E-01 Delta_et -0.2562662E+00 Pxc 0.7555891E+01 Qxc -0.5284185E+01 3,-1 126 3 +1 1.256023 -1.171393 2.158673 Rho 0.2670308E-01 |GRAD(Rho)| 0.4566870E-16 GRAD(Rho)x -0.1652162E-16 GRAD(Rho)y -0.1226102E-17 GRAD(Rho)z -0.4255776E-16 Laplacian 0.1046344E+00 (-1/4)Del**2(Rho)) -0.2615860E-01 Diamond 0.1522056E-01 Metallicity 0.1571113E+01 Ellipticity -0.4475619E+01 Gb(Abramov) 0.2428876E-01 Vb(Abramov) -0.2241891E-01 Hb(Abramov) 0.1869846E-02 Ex_ueg -0.5894770E-02 Ec_ueg -0.1174838E-02 Delta_ex -0.6646936E-02 Delta_ec 0.1817398E-02 Delta_et -0.1629411E-01 Pxc 0.5017517E+01 Qxc -0.3657391E+01 3,+1 127 3 -1 0.400178 -0.545957 0.414901 Rho 0.1790068E+00 |GRAD(Rho)| 0.5713327E-15 GRAD(Rho)x 0.4093947E-15 GRAD(Rho)y -0.2602085E-15 GRAD(Rho)z 0.3018419E-15 Laplacian 0.4697661E+00 (-1/4)Del**2(Rho)) -0.1174415E+00 Diamond 0.1202742E+01 Metallicity 0.8340284E+01 Ellipticity 0.2056099E-02 Gb(Abramov) 0.2415436E+00 Vb(Abramov) -0.3656457E+00 Hb(Abramov) -0.1241021E+00 Ex_ueg -0.7450942E-01 Ec_ueg -0.1032556E-01 Delta_ex -0.5291703E-01 Delta_ec 0.1175235E-01 Delta_et -0.1609534E+00 Pxc 0.7216016E+01 Qxc -0.4502675E+01 3,-1 128 3 +1 0.504017 0.453256 1.644038 Rho 0.8279367E-02 |GRAD(Rho)| 0.2043629E-16 GRAD(Rho)x 0.4132072E-17 GRAD(Rho)y 0.9495509E-17 GRAD(Rho)z 0.1761827E-16 Laplacian 0.3269228E-01 (-1/4)Del**2(Rho)) -0.8173071E-02 Diamond 0.8326801E-03 Metallicity 0.7142164E+00 Ellipticity -0.1419921E+01 Gb(Abramov) 0.6421604E-02 Vb(Abramov) -0.4670137E-02 Hb(Abramov) 0.1751467E-02 Ex_ueg -0.1237033E-02 Ec_ueg -0.2906570E-03 Delta_ex -0.1480155E-02 Delta_ec 0.4616690E-03 Delta_et -0.3123428E-02 Pxc 0.4255988E+01 Qxc -0.3206096E+01 3,+1 129 3 -1 0.428749 0.391087 -0.517266 Rho 0.1786936E+00 |GRAD(Rho)| 0.2148257E-15 GRAD(Rho)x -0.1040834E-16 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z -0.1665335E-15 Laplacian 0.4672776E+00 (-1/4)Del**2(Rho)) -0.1168194E+00 Diamond 0.1194719E+01 Metallicity 0.8360266E+01 Ellipticity 0.5603160E-02 Gb(Abramov) 0.2406531E+00 Vb(Abramov) -0.3644868E+00 Hb(Abramov) -0.1238337E+00 Ex_ueg -0.7433566E-01 Ec_ueg -0.1030498E-01 Delta_ex -0.5262047E-01 Delta_ec 0.1170753E-01 Delta_et -0.1603419E+00 Pxc 0.7213568E+01 Qxc -0.4494582E+01 3,-1 130 3 +3 1.076545 1.097383 1.042766 Rho 0.4506441E-02 |GRAD(Rho)| 0.1456340E-11 GRAD(Rho)x 0.1135991E-11 GRAD(Rho)y 0.8444616E-12 GRAD(Rho)z -0.3425403E-12 Laplacian 0.1775414E-01 (-1/4)Del**2(Rho)) -0.4438535E-02 Diamond 0.1161376E-03 Metallicity 0.4772029E+00 Ellipticity -0.2144910E+00 Gb(Abramov) 0.3312037E-02 Vb(Abramov) -0.2185539E-02 Hb(Abramov) 0.1126498E-02 Ex_ueg -0.5497476E-03 Ec_ueg -0.1257352E-03 Delta_ex -0.6051709E-03 Delta_ec 0.9456848E-04 Delta_et -0.6874841E-03 Pxc 0.4372266E+01 Qxc -0.6399288E+01 3,+3 131 3 -1 -0.031168 0.001933 2.928126 Rho 0.5936562E-02 |GRAD(Rho)| 0.8484796E-17 GRAD(Rho)x 0.5584481E-17 GRAD(Rho)y 0.6367042E-17 GRAD(Rho)z 0.5158688E-18 Laplacian 0.2385699E-01 (-1/4)Del**2(Rho)) -0.5964248E-02 Diamond 0.8057949E-03 Metallicity 0.5621978E+00 Ellipticity 0.2417193E+01 Gb(Abramov) 0.4535013E-02 Vb(Abramov) -0.3105778E-02 Hb(Abramov) 0.1429235E-02 Ex_ueg -0.7938986E-03 Ec_ueg -0.1874369E-03 Delta_ex -0.1304114E-02 Delta_ec 0.8895946E-03 Delta_et -0.5031757E-02 Pxc 0.4235552E+01 Qxc -0.1465965E+01 3,-1 132 3 +1 -0.301725 -0.514314 -3.165200 Rho 0.3400376E-02 |GRAD(Rho)| 0.1670855E-17 GRAD(Rho)x -0.3475251E-18 GRAD(Rho)y 0.8335551E-19 GRAD(Rho)z 0.1632187E-17 Laplacian 0.1353629E-01 (-1/4)Del**2(Rho)) -0.3384072E-02 Diamond 0.1534317E-03 Metallicity 0.3914339E+00 Ellipticity -0.1459990E+01 Gb(Abramov) 0.2476822E-02 Vb(Abramov) -0.1569571E-02 Hb(Abramov) 0.9072506E-03 Ex_ueg -0.3776484E-03 Ec_ueg -0.7873760E-04 Delta_ex -0.5723010E-03 Delta_ec 0.3301296E-03 Delta_et -0.1635955E-02 Pxc 0.4796290E+01 Qxc -0.1733565E+01 3,+1 133 3 -1 0.864200 -3.019338 2.029542 Rho 0.1545021E+00 |GRAD(Rho)| 0.5803142E-13 GRAD(Rho)x -0.1322382E-13 GRAD(Rho)y -0.4053573E-13 GRAD(Rho)z -0.3936535E-13 Laplacian 0.6086192E+00 (-1/4)Del**2(Rho)) -0.1521548E+00 Diamond 0.1274702E+01 Metallicity 0.5036841E+01 Ellipticity 0.6634764E-01 Gb(Abramov) 0.2291664E+00 Vb(Abramov) -0.3061781E+00 Hb(Abramov) -0.7701165E-01 Ex_ueg -0.6123000E-01 Ec_ueg -0.8732334E-02 Delta_ex -0.6580655E-01 Delta_ec 0.1527283E-01 Delta_et -0.2040001E+00 Pxc 0.7011871E+01 Qxc -0.4308732E+01 3,-1 134 3 -1 0.537582 1.676702 -1.735150 Rho 0.4543360E-01 |GRAD(Rho)| 0.2643533E-14 GRAD(Rho)x 0.2049357E-14 GRAD(Rho)y -0.9059399E-16 GRAD(Rho)z -0.1667392E-14 Laplacian 0.1875204E+00 (-1/4)Del**2(Rho)) -0.4688011E-01 Diamond 0.8490977E-01 Metallicity 0.2125820E+01 Ellipticity 0.1403302E-01 Gb(Abramov) 0.4786319E-01 Vb(Abramov) -0.4884626E-01 Hb(Abramov) -0.9830774E-03 Ex_ueg -0.1197351E-01 Ec_ueg -0.2164060E-02 Delta_ex -0.1514005E-01 Delta_ec 0.5718531E-02 Delta_et -0.5882694E-01 Pxc 0.5532890E+01 Qxc -0.2647542E+01 3,-1 135 3 -1 0.547882 1.827132 2.738647 Rho 0.1337763E+00 |GRAD(Rho)| 0.2827270E-14 GRAD(Rho)x -0.1741418E-14 GRAD(Rho)y 0.2190346E-14 GRAD(Rho)z -0.4041093E-15 Laplacian 0.5561047E+00 (-1/4)Del**2(Rho)) -0.1390262E+00 Diamond 0.9682030E+00 Metallicity 0.4335993E+01 Ellipticity 0.1127743E-01 Gb(Abramov) 0.1931536E+00 Vb(Abramov) -0.2472809E+00 Hb(Abramov) -0.5412737E-01 Ex_ueg -0.5053094E-01 Ec_ueg -0.7413200E-02 Delta_ex -0.5791388E-01 Delta_ec 0.1422067E-01 Delta_et -0.1855480E+00 Pxc 0.6816346E+01 Qxc -0.4072515E+01 3,-1 136 3 +1 1.249035 2.132802 -1.193063 Rho 0.2579973E-01 |GRAD(Rho)| 0.7681964E-15 GRAD(Rho)x 0.2447777E-15 GRAD(Rho)y 0.7053962E-15 GRAD(Rho)z -0.1806262E-15 Laplacian 0.1024123E+00 (-1/4)Del**2(Rho)) -0.2560308E-01 Diamond 0.1514415E-01 Metallicity 0.1515722E+01 Ellipticity -0.6759970E+01 Gb(Abramov) 0.2353658E-01 Vb(Abramov) -0.2147008E-01 Hb(Abramov) 0.2066502E-02 Ex_ueg -0.5630391E-02 Ec_ueg -0.1129063E-02 Delta_ex -0.6543759E-02 Delta_ec 0.1952853E-02 Delta_et -0.1732614E-01 Pxc 0.4986782E+01 Qxc -0.3350872E+01 3,+1 137 3 -1 1.837229 2.785459 0.548785 Rho 0.1176351E+00 |GRAD(Rho)| 0.1427716E-15 GRAD(Rho)x 0.7491837E-16 GRAD(Rho)y 0.4025778E-16 GRAD(Rho)z -0.1146747E-15 Laplacian 0.4952353E+00 (-1/4)Del**2(Rho)) -0.1238088E+00 Diamond 0.7515502E+00 Metallicity 0.3929735E+01 Ellipticity 0.1219252E-01 Gb(Abramov) 0.1636285E+00 Vb(Abramov) -0.2034482E+00 Hb(Abramov) -0.3981970E-01 Ex_ueg -0.4256974E-01 Ec_ueg -0.6405188E-02 Delta_ex -0.5017742E-01 Delta_ec 0.1337331E-01 Delta_et -0.1713733E+00 Pxc 0.6646135E+01 Qxc -0.3752057E+01 3,-1 138 3 +1 1.991325 -2.010284 2.019610 Rho 0.1209910E-01 |GRAD(Rho)| 0.2229825E-16 GRAD(Rho)x 0.8523407E-17 GRAD(Rho)y -0.1190580E-16 GRAD(Rho)z -0.1681711E-16 Laplacian 0.5636259E-01 (-1/4)Del**2(Rho)) -0.1409065E-01 Diamond 0.1791341E-02 Metallicity 0.7796096E+00 Ellipticity -0.1097616E+01 Gb(Abramov) 0.1122463E-01 Vb(Abramov) -0.8358617E-02 Hb(Abramov) 0.2866015E-02 Ex_ueg -0.2051425E-02 Ec_ueg -0.4641456E-03 Delta_ex -0.2635652E-02 Delta_ec 0.4801352E-03 Delta_et -0.3799843E-02 Pxc 0.4419788E+01 Qxc -0.5489396E+01 3,+1 139 3 +3 2.326722 -0.042398 0.058922 Rho 0.4199890E-02 |GRAD(Rho)| 0.1026302E-12 GRAD(Rho)x 0.1891104E-13 GRAD(Rho)y -0.2514279E-13 GRAD(Rho)z 0.9768911E-13 Laplacian 0.1733675E-01 (-1/4)Del**2(Rho)) -0.4334187E-02 Diamond 0.1393901E-03 Metallicity 0.4345523E+00 Ellipticity -0.2660443E+00 Gb(Abramov) 0.3203363E-02 Vb(Abramov) -0.2072539E-02 Hb(Abramov) 0.1130824E-02 Ex_ueg -0.5004595E-03 Ec_ueg -0.1126450E-03 Delta_ex -0.6223903E-03 Delta_ec 0.1684270E-03 Delta_et -0.1022939E-02 Pxc 0.4442803E+01 Qxc -0.3695312E+01 3,+3 140 3 +1 1.396043 -2.229685 1.027748 Rho 0.2717400E-01 |GRAD(Rho)| 0.4542111E-16 GRAD(Rho)x -0.8600379E-18 GRAD(Rho)y 0.4329684E-16 GRAD(Rho)z -0.1370114E-16 Laplacian 0.1070151E+00 (-1/4)Del**2(Rho)) -0.2675377E-01 Diamond 0.1423382E-01 Metallicity 0.1581579E+01 Ellipticity -0.2641407E+01 Gb(Abramov) 0.2488805E-01 Vb(Abramov) -0.2302232E-01 Hb(Abramov) 0.1865724E-02 Ex_ueg -0.6033785E-02 Ec_ueg -0.1198783E-02 Delta_ex -0.6663634E-02 Delta_ec 0.1561669E-02 Delta_et -0.1411052E-01 Pxc 0.5033261E+01 Qxc -0.4266994E+01 3,+1 141 3 -1 0.815555 -1.987776 3.002590 Rho 0.1328141E+00 |GRAD(Rho)| 0.1845614E-15 GRAD(Rho)x -0.7432206E-16 GRAD(Rho)y 0.1619798E-15 GRAD(Rho)z 0.4797595E-16 Laplacian 0.5220060E+00 (-1/4)Del**2(Rho)) -0.1305015E+00 Diamond 0.9154771E+00 Metallicity 0.4563989E+01 Ellipticity 0.3211040E-01 Gb(Abramov) 0.1862689E+00 Vb(Abramov) -0.2420363E+00 Hb(Abramov) -0.5576741E-01 Ex_ueg -0.5004691E-01 Ec_ueg -0.7352621E-02 Delta_ex -0.5443727E-01 Delta_ec 0.1367519E-01 Delta_et -0.1788279E+00 Pxc 0.6806677E+01 Qxc -0.3980731E+01 3,-1 142 3 -1 0.496955 -1.777720 1.695358 Rho 0.5065721E-01 |GRAD(Rho)| 0.7048030E-16 GRAD(Rho)x -0.1524744E-16 GRAD(Rho)y 0.3698612E-16 GRAD(Rho)z -0.5802599E-16 Laplacian 0.2039125E+00 (-1/4)Del**2(Rho)) -0.5097813E-01 Diamond 0.1045292E+00 Metallicity 0.2343715E+01 Ellipticity 0.1332446E-01 Gb(Abramov) 0.5389845E-01 Vb(Abramov) -0.5681877E-01 Hb(Abramov) -0.2920322E-02 Ex_ueg -0.1384331E-01 Ec_ueg -0.2451234E-02 Delta_ex -0.1681057E-01 Delta_ec 0.6022924E-02 Delta_et -0.6371177E-01 Pxc 0.5647487E+01 Qxc -0.2791098E+01 3,-1 143 3 -1 0.846268 2.977895 -1.953843 Rho 0.1292995E+00 |GRAD(Rho)| 0.2684484E-15 GRAD(Rho)x -0.1037717E-15 GRAD(Rho)y 0.4038653E-16 GRAD(Rho)z -0.2442640E-15 Laplacian 0.5028214E+00 (-1/4)Del**2(Rho)) -0.1257053E+00 Diamond 0.8441020E+00 Metallicity 0.4530998E+01 Ellipticity 0.5200022E-01 Gb(Abramov) 0.1787320E+00 Vb(Abramov) -0.2317587E+00 Hb(Abramov) -0.5302667E-01 Ex_ueg -0.4828890E-01 Ec_ueg -0.7131864E-02 Delta_ex -0.5197987E-01 Delta_ec 0.1304563E-01 Delta_et -0.1694672E+00 Pxc 0.6770866E+01 Qxc -0.3984466E+01 3,-1 144 3 -1 1.701708 0.424707 -1.774108 Rho 0.4665180E-01 |GRAD(Rho)| 0.1574977E-13 GRAD(Rho)x 0.7784060E-14 GRAD(Rho)y 0.1357984E-13 GRAD(Rho)z 0.1746837E-14 Laplacian 0.1830694E+00 (-1/4)Del**2(Rho)) -0.4576735E-01 Diamond 0.8451288E-01 Metallicity 0.2275681E+01 Ellipticity 0.1687357E-01 Gb(Abramov) 0.4787022E-01 Vb(Abramov) -0.4997309E-01 Hb(Abramov) -0.2102868E-02 Ex_ueg -0.1240346E-01 Ec_ueg -0.2230651E-02 Delta_ex -0.1481146E-01 Delta_ec 0.5462191E-02 Delta_et -0.5656024E-01 Pxc 0.5560468E+01 Qxc -0.2711633E+01 3,-1 145 3 -1 0.581958 2.823073 1.789941 Rho 0.1510984E+00 |GRAD(Rho)| 0.1438323E-13 GRAD(Rho)x 0.2024585E-14 GRAD(Rho)y -0.6147548E-14 GRAD(Rho)z -0.1284469E-13 Laplacian 0.6264671E+00 (-1/4)Del**2(Rho)) -0.1566168E+00 Diamond 0.1263025E+01 Metallicity 0.4714997E+01 Ellipticity 0.2681513E-01 Gb(Abramov) 0.2274858E+00 Vb(Abramov) -0.2983548E+00 Hb(Abramov) -0.7086902E-01 Ex_ueg -0.5943811E-01 Ec_ueg -0.8513866E-02 Delta_ex -0.6722303E-01 Delta_ec 0.1555462E-01 Delta_et -0.2065458E+00 Pxc 0.6981330E+01 Qxc -0.4321741E+01 3,-1 146 3 +1 1.306925 1.118594 -2.189671 Rho 0.2846177E-01 |GRAD(Rho)| 0.8279791E-15 GRAD(Rho)x -0.2628502E-15 GRAD(Rho)y -0.7413625E-15 GRAD(Rho)z 0.2585358E-15 Laplacian 0.1158277E+00 (-1/4)Del**2(Rho)) -0.2895694E-01 Diamond 0.1987724E-01 Metallicity 0.1578472E+01 Ellipticity -0.9843603E+01 Gb(Abramov) 0.2692258E-01 Vb(Abramov) -0.2488822E-01 Hb(Abramov) 0.2034359E-02 Ex_ueg -0.6418017E-02 Ec_ueg -0.1264540E-02 Delta_ex -0.7620139E-02 Delta_ec 0.2253507E-02 Delta_et -0.2048767E-01 Pxc 0.5075378E+01 Qxc -0.3381458E+01 3,+1 147 3 +3 0.812572 -1.453827 -1.455445 Rho 0.3117968E-02 |GRAD(Rho)| 0.2371309E-16 GRAD(Rho)x 0.1422926E-16 GRAD(Rho)y 0.1630023E-16 GRAD(Rho)z 0.9702647E-17 Laplacian 0.1215763E-01 (-1/4)Del**2(Rho)) -0.3039408E-02 Diamond 0.6352566E-04 Metallicity 0.3771814E+00 Ellipticity -0.8020276E+00 Gb(Abramov) 0.2217340E-02 Vb(Abramov) -0.1395272E-02 Hb(Abramov) 0.8220679E-03 Ex_ueg -0.3364190E-03 Ec_ueg -0.6684269E-04 Delta_ex -0.4022243E-03 Delta_ec 0.1124904E-03 Delta_et -0.6419703E-03 Pxc 0.5032997E+01 Qxc -0.3575634E+01 3,+3 148 3 -1 1.692309 -0.588877 1.709702 Rho 0.4074429E-01 |GRAD(Rho)| 0.5948252E-16 GRAD(Rho)x -0.6855038E-17 GRAD(Rho)y -0.5649498E-16 GRAD(Rho)z -0.1730594E-16 Laplacian 0.1606074E+00 (-1/4)Del**2(Rho)) -0.4015185E-01 Diamond 0.6010923E-01 Metallicity 0.2069946E+01 Ellipticity 0.3968030E-01 Gb(Abramov) 0.4061992E-01 Vb(Abramov) -0.4108800E-01 Hb(Abramov) -0.4680749E-03 Ex_ueg -0.1035478E-01 Ec_ueg -0.1910033E-02 Delta_ex -0.1247416E-01 Delta_ec 0.4637920E-02 Delta_et -0.4630265E-01 Pxc 0.5421255E+01 Qxc -0.2689601E+01 3,-1 149 3 +3 -0.308788 -0.626279 -2.794257 Rho 0.3253736E-02 |GRAD(Rho)| 0.1424267E-12 GRAD(Rho)x 0.1404504E-12 GRAD(Rho)y -0.2323850E-13 GRAD(Rho)z -0.4359867E-14 Laplacian 0.1305484E-01 (-1/4)Del**2(Rho)) -0.3263710E-02 Diamond 0.1052028E-03 Metallicity 0.3771194E+00 Ellipticity -0.3818431E+00 Gb(Abramov) 0.2380941E-02 Vb(Abramov) -0.1498173E-02 Hb(Abramov) 0.8827686E-03 Ex_ueg -0.3560914E-03 Ec_ueg -0.7255579E-04 Delta_ex -0.4907256E-03 Delta_ec 0.2176484E-03 Delta_et -0.1118579E-02 Pxc 0.4907829E+01 Qxc -0.2254671E+01 3,+3 150 3 -1 1.768320 0.536705 2.760676 Rho 0.1312932E+00 |GRAD(Rho)| 0.4798662E-15 GRAD(Rho)x -0.4290459E-15 GRAD(Rho)y 0.1576294E-15 GRAD(Rho)z 0.1460962E-15 Laplacian 0.5499197E+00 (-1/4)Del**2(Rho)) -0.1374799E+00 Diamond 0.9464111E+00 Metallicity 0.4249955E+01 Ellipticity 0.1470546E-01 Gb(Abramov) 0.1890339E+00 Vb(Abramov) -0.2405878E+00 Hb(Abramov) -0.5155393E-01 Ex_ueg -0.4928424E-01 Ec_ueg -0.7256993E-02 Delta_ex -0.5713225E-01 Delta_ec 0.1434503E-01 Delta_et -0.1870499E+00 Pxc 0.6791276E+01 Qxc -0.3982721E+01 3,-1 151 3 -1 2.760879 0.561538 1.830207 Rho 0.1315857E+00 |GRAD(Rho)| 0.3277012E-15 GRAD(Rho)x 0.4213142E-16 GRAD(Rho)y -0.2684485E-15 GRAD(Rho)z 0.1831624E-15 Laplacian 0.5540159E+00 (-1/4)Del**2(Rho)) -0.1385040E+00 Diamond 0.9634881E+00 Metallicity 0.4234205E+01 Ellipticity 0.1270132E-01 Gb(Abramov) 0.1900783E+00 Vb(Abramov) -0.2416527E+00 Hb(Abramov) -0.5157437E-01 Ex_ueg -0.4943067E-01 Ec_ueg -0.7275369E-02 Delta_ex -0.5767745E-01 Delta_ec 0.1460248E-01 Delta_et -0.1907764E+00 Pxc 0.6794248E+01 Qxc -0.3949840E+01 3,-1 152 3 +1 2.944298 -0.128336 0.157139 Rho 0.4902204E-02 |GRAD(Rho)| 0.1534328E-16 GRAD(Rho)x -0.1141195E-18 GRAD(Rho)y -0.1503614E-16 GRAD(Rho)z 0.3052467E-17 Laplacian 0.1993252E-01 (-1/4)Del**2(Rho)) -0.4983131E-02 Diamond 0.4572029E-03 Metallicity 0.4890687E+00 Ellipticity -0.3126460E+01 Gb(Abramov) 0.3728270E-02 Vb(Abramov) -0.2473408E-02 Hb(Abramov) 0.1254861E-02 Ex_ueg -0.6150451E-03 Ec_ueg -0.1427067E-03 Delta_ex -0.9916034E-03 Delta_ec 0.6354123E-03 Delta_et -0.3427267E-02 Pxc 0.4309855E+01 Qxc -0.1560567E+01 3,+1 153 3 -1 1.983074 0.815424 -3.009413 Rho 0.1211577E+00 |GRAD(Rho)| 0.9093810E-16 GRAD(Rho)x -0.1325437E-16 GRAD(Rho)y 0.8956865E-16 GRAD(Rho)z 0.8456777E-17 Laplacian 0.4652005E+00 (-1/4)Del**2(Rho)) -0.1163001E+00 Diamond 0.7399487E+00 Metallicity 0.4394318E+01 Ellipticity 0.2419066E-01 Gb(Abramov) 0.1627101E+00 Vb(Abramov) -0.2091200E+00 Hb(Abramov) -0.4640992E-01 Ex_ueg -0.4427785E-01 Ec_ueg -0.6623658E-02 Delta_ex -0.4757887E-01 Delta_ec 0.1267676E-01 Delta_et -0.1636253E+00 Pxc 0.6684804E+01 Qxc -0.3753236E+01 3,-1 154 3 -1 1.757696 1.675884 -0.558405 Rho 0.4020634E-01 |GRAD(Rho)| 0.3811208E-16 GRAD(Rho)x -0.8412096E-17 GRAD(Rho)y -0.3713562E-16 GRAD(Rho)z -0.1647267E-17 Laplacian 0.1586850E+00 (-1/4)Del**2(Rho)) -0.3967124E-01 Diamond 0.5847013E-01 Metallicity 0.2049124E+01 Ellipticity 0.3139287E-01 Gb(Abramov) 0.3999604E-01 Vb(Abramov) -0.4032085E-01 Hb(Abramov) -0.3248048E-03 Ex_ueg -0.1017289E-01 Ec_ueg -0.1881137E-02 Delta_ex -0.1229235E-01 Delta_ec 0.4597690E-02 Delta_et -0.4574022E-01 Pxc 0.5407844E+01 Qxc -0.2673593E+01 3,-1 155 3 +1 1.584443 -1.989421 -1.952108 Rho 0.6770672E-02 |GRAD(Rho)| 0.7178603E-17 GRAD(Rho)x 0.2925284E-17 GRAD(Rho)y 0.1236815E-17 GRAD(Rho)z 0.6437805E-17 Laplacian 0.3021951E-01 (-1/4)Del**2(Rho)) -0.7554876E-02 Diamond 0.9471091E-03 Metallicity 0.5525592E+00 Ellipticity -0.1983993E+01 Gb(Abramov) 0.5732337E-02 Vb(Abramov) -0.3909798E-02 Hb(Abramov) 0.1822539E-02 Ex_ueg -0.9460065E-03 Ec_ueg -0.2238902E-03 Delta_ex -0.1525323E-02 Delta_ec 0.8269728E-03 Delta_et -0.4965906E-02 Pxc 0.4225314E+01 Qxc -0.1844466E+01 3,+1 156 3 -1 1.945585 -0.858481 3.016478 Rho 0.1447930E+00 |GRAD(Rho)| 0.4108760E-13 GRAD(Rho)x 0.2551255E-13 GRAD(Rho)y 0.2793572E-13 GRAD(Rho)z -0.1602798E-13 Laplacian 0.5674233E+00 (-1/4)Del**2(Rho)) -0.1418558E+00 Diamond 0.1106709E+01 Metallicity 0.4848626E+01 Ellipticity 0.3899240E-01 Gb(Abramov) 0.2092049E+00 Vb(Abramov) -0.2765539E+00 Hb(Abramov) -0.6734903E-01 Ex_ueg -0.5615415E-01 Ec_ueg -0.8111030E-02 Delta_ex -0.6045827E-01 Delta_ec 0.1460887E-01 Delta_et -0.1936867E+00 Pxc 0.6923184E+01 Qxc -0.4138464E+01 3,-1 157 3 -1 1.853713 -0.627347 -2.969984 Rho 0.2360023E+00 |GRAD(Rho)| 0.3122048E-10 GRAD(Rho)x -0.2114457E-10 GRAD(Rho)y -0.1980238E-10 GRAD(Rho)z -0.1164007E-10 Laplacian 0.9017803E+00 (-1/4)Del**2(Rho)) -0.2254451E+00 Diamond 0.3098367E+01 Metallicity 0.6887148E+01 Ellipticity 0.1282734E-01 Gb(Abramov) 0.4090756E+00 Vb(Abramov) -0.5927062E+00 Hb(Abramov) -0.1836306E+00 Ex_ueg -0.1077143E+00 Ec_ueg -0.1416320E-01 Delta_ex -0.1083291E+00 Delta_ec 0.1975635E-01 Delta_et -0.2723529E+00 Pxc 0.7605223E+01 Qxc -0.5483257E+01 3,-1 158 3 -1 1.982049 -3.040686 0.855650 Rho 0.1115373E+00 |GRAD(Rho)| 0.4517122E-13 GRAD(Rho)x 0.2077159E-13 GRAD(Rho)y 0.1532622E-13 GRAD(Rho)z -0.3706868E-13 Laplacian 0.4226155E+00 (-1/4)Del**2(Rho)) -0.1056539E+00 Diamond 0.6014684E+00 Metallicity 0.4214067E+01 Ellipticity 0.2640623E-01 Gb(Abramov) 0.1446413E+00 Vb(Abramov) -0.1836288E+00 Hb(Abramov) -0.3898745E-01 Ex_ueg -0.3965324E-01 Ec_ueg -0.6029091E-02 Delta_ex -0.4228194E-01 Delta_ec 0.1155044E-01 Delta_et -0.1465875E+00 Pxc 0.6576985E+01 Qxc -0.3660633E+01 3,-1 159 3 +1 1.729352 1.781875 1.753145 Rho 0.1229023E-01 |GRAD(Rho)| 0.3774132E-12 GRAD(Rho)x -0.3191569E-12 GRAD(Rho)y 0.1476087E-12 GRAD(Rho)z 0.1370813E-12 Laplacian 0.6139541E-01 (-1/4)Del**2(Rho)) -0.1534885E-01 Diamond 0.2510704E-02 Metallicity 0.7346448E+00 Ellipticity -0.1248775E+01 Gb(Abramov) 0.1211189E-01 Vb(Abramov) -0.8874935E-02 Hb(Abramov) 0.3236958E-02 Ex_ueg -0.2094748E-02 Ec_ueg -0.4729837E-03 Delta_ex -0.3028168E-02 Delta_ec 0.7812195E-03 Delta_et -0.5904048E-02 Pxc 0.4428796E+01 Qxc -0.3876206E+01 3,+1 160 3 +1 2.197568 1.023589 -1.408873 Rho 0.2550340E-01 |GRAD(Rho)| 0.9858526E-15 GRAD(Rho)x 0.2626601E-15 GRAD(Rho)y -0.6017898E-15 GRAD(Rho)z -0.7353666E-15 Laplacian 0.9785922E-01 (-1/4)Del**2(Rho)) -0.2446481E-01 Diamond 0.1224692E-01 Metallicity 0.1555995E+01 Ellipticity -0.2880034E+01 Gb(Abramov) 0.2265439E-01 Vb(Abramov) -0.2084397E-01 Hb(Abramov) 0.1810416E-02 Ex_ueg -0.5544331E-02 Ec_ueg -0.1114093E-02 Delta_ex -0.6022788E-02 Delta_ec 0.1489123E-02 Delta_et -0.1324625E-01 Pxc 0.4976543E+01 Qxc -0.4044521E+01 3,+1 161 3 -1 1.350492 -2.141068 -2.108832 Rho 0.6995728E-02 |GRAD(Rho)| 0.3524261E-16 GRAD(Rho)x 0.1798626E-16 GRAD(Rho)y 0.3016540E-16 GRAD(Rho)z -0.2929935E-17 Laplacian 0.2850361E-01 (-1/4)Del**2(Rho)) -0.7125903E-02 Diamond 0.1362898E-02 Metallicity 0.6186354E+00 Ellipticity 0.6195446E+00 Gb(Abramov) 0.5485325E-02 Vb(Abramov) -0.3844746E-02 Hb(Abramov) 0.1640578E-02 Ex_ueg -0.9881638E-03 Ec_ueg -0.2337829E-03 Delta_ex -0.1703419E-02 Delta_ec 0.1234801E-02 Delta_et -0.7285890E-02 Pxc 0.4226844E+01 Qxc -0.1379508E+01 3,-1 162 3 +1 2.019061 2.000407 -1.989784 Rho 0.1197476E-01 |GRAD(Rho)| 0.9437634E-16 GRAD(Rho)x -0.5466550E-16 GRAD(Rho)y -0.5090733E-16 GRAD(Rho)z 0.5768033E-16 Laplacian 0.5593972E-01 (-1/4)Del**2(Rho)) -0.1398493E-01 Diamond 0.1759007E-02 Metallicity 0.7720952E+00 Ellipticity -0.1100715E+01 Gb(Abramov) 0.1112290E-01 Vb(Abramov) -0.8260875E-02 Hb(Abramov) 0.2862027E-02 Ex_ueg -0.2023364E-02 Ec_ueg -0.4584039E-03 Delta_ex -0.2610205E-02 Delta_ec 0.4797955E-03 Delta_et -0.3785302E-02 Pxc 0.4413933E+01 Qxc -0.5440244E+01 3,+1 163 3 +3 1.925084 -1.948603 1.944133 Rho 0.1207822E-01 |GRAD(Rho)| 0.1137527E-13 GRAD(Rho)x -0.7030645E-14 GRAD(Rho)y 0.6156670E-14 GRAD(Rho)z -0.6485546E-14 Laplacian 0.5588282E-01 (-1/4)Del**2(Rho)) -0.1397070E-01 Diamond 0.1478505E-02 Metallicity 0.7840425E+00 Ellipticity -0.8693192E+00 Gb(Abramov) 0.1113941E-01 Vb(Abramov) -0.8308110E-02 Hb(Abramov) 0.2831297E-02 Ex_ueg -0.2046706E-02 Ec_ueg -0.4631810E-03 Delta_ex -0.2527921E-02 Delta_ec 0.3260003E-03 Delta_et -0.2754175E-02 Pxc 0.4418804E+01 Qxc -0.7754351E+01 3,+3 164 3 -1 2.004982 2.984008 -0.836446 Rho 0.1389240E+00 |GRAD(Rho)| 0.8998268E-13 GRAD(Rho)x 0.5541196E-13 GRAD(Rho)y -0.3464510E-13 GRAD(Rho)z 0.6185559E-13 Laplacian 0.5421589E+00 (-1/4)Del**2(Rho)) -0.1355397E+00 Diamond 0.1007338E+01 Metallicity 0.4736401E+01 Ellipticity 0.3250066E-01 Gb(Abramov) 0.1973549E+00 Vb(Abramov) -0.2591701E+00 Hb(Abramov) -0.6181518E-01 Ex_ueg -0.5313997E-01 Ec_ueg -0.7738303E-02 Delta_ex -0.5719988E-01 Delta_ec 0.1412320E-01 Delta_et -0.1861376E+00 Pxc 0.6867134E+01 Qxc -0.4050064E+01 3,-1 165 3 -1 2.754317 -1.865431 -0.599549 Rho 0.1281777E+00 |GRAD(Rho)| 0.2556444E-13 GRAD(Rho)x -0.4329765E-14 GRAD(Rho)y -0.2041574E-13 GRAD(Rho)z 0.1476452E-13 Laplacian 0.5226715E+00 (-1/4)Del**2(Rho)) -0.1306679E+00 Diamond 0.8696005E+00 Metallicity 0.4296075E+01 Ellipticity 0.6573728E-02 Gb(Abramov) 0.1806718E+00 Vb(Abramov) -0.2306756E+00 Hb(Abramov) -0.5000388E-01 Ex_ueg -0.4773113E-01 Ec_ueg -0.7061580E-02 Delta_ex -0.5393447E-01 Delta_ec 0.1361783E-01 Delta_et -0.1767057E+00 Pxc 0.6759272E+01 Qxc -0.3960579E+01 3,-1 166 3 +1 2.147035 -1.478401 1.005529 Rho 0.2486955E-01 |GRAD(Rho)| 0.1185301E-13 GRAD(Rho)x 0.4011999E-14 GRAD(Rho)y -0.8882924E-14 GRAD(Rho)z -0.6744729E-14 Laplacian 0.9574616E-01 (-1/4)Del**2(Rho)) -0.2393654E-01 Diamond 0.1094571E-01 Metallicity 0.1525007E+01 Ellipticity -0.2373983E+01 Gb(Abramov) 0.2204159E-01 Vb(Abramov) -0.2014664E-01 Hb(Abramov) 0.1894949E-02 Ex_ueg -0.5361369E-02 Ec_ueg -0.1082149E-02 Delta_ex -0.5783956E-02 Delta_ec 0.1334391E-02 Delta_et -0.1183226E-01 Pxc 0.4954374E+01 Qxc -0.4334529E+01 3,+1 167 3 -1 2.975932 -0.855667 2.019292 Rho 0.1781403E+00 |GRAD(Rho)| 0.1656889E-15 GRAD(Rho)x 0.2886688E-16 GRAD(Rho)y -0.1478039E-15 GRAD(Rho)z 0.6909078E-16 Laplacian 0.6942508E+00 (-1/4)Del**2(Rho)) -0.1735627E+00 Diamond 0.1720725E+01 Metallicity 0.5598012E+01 Ellipticity 0.5396821E-01 Gb(Abramov) 0.2776428E+00 Vb(Abramov) -0.3817229E+00 Hb(Abramov) -0.1040801E+00 Ex_ueg -0.7402891E-01 Ec_ueg -0.1026863E-01 Delta_ex -0.7774163E-01 Delta_ec 0.1673352E-01 Delta_et -0.2271707E+00 Pxc 0.7209233E+01 Qxc -0.4645861E+01 3,-1 168 3 -1 2.760542 -0.635992 -1.829584 Rho 0.1412901E+00 |GRAD(Rho)| 0.1113091E-15 GRAD(Rho)x 0.7600935E-16 GRAD(Rho)y 0.6964644E-16 GRAD(Rho)z -0.4197218E-16 Laplacian 0.5767024E+00 (-1/4)Del**2(Rho)) -0.1441756E+00 Diamond 0.1092386E+01 Metallicity 0.4579812E+01 Ellipticity 0.7470663E-02 Gb(Abramov) 0.2061666E+00 Vb(Abramov) -0.2681576E+00 Hb(Abramov) -0.6199098E-01 Ex_ueg -0.5435014E-01 Ec_ueg -0.7888307E-02 Delta_ex -0.6108293E-01 Delta_ec 0.1494049E-01 Delta_et -0.1973717E+00 Pxc 0.6889963E+01 Qxc -0.4088417E+01 3,-1 169 3 -1 3.199212 -3.246232 -0.079072 Rho 0.2238729E+00 |GRAD(Rho)| 0.2616727E-15 GRAD(Rho)x 0.1283695E-15 GRAD(Rho)y 0.2216109E-15 GRAD(Rho)z 0.5368834E-16 Laplacian 0.8146814E+00 (-1/4)Del**2(Rho)) -0.2036704E+00 Diamond 0.2657107E+01 Metallicity 0.6981703E+01 Ellipticity 0.1393072E-01 Gb(Abramov) 0.3727746E+00 Vb(Abramov) -0.5418788E+00 Hb(Abramov) -0.1691042E+00 Ex_ueg -0.1003970E+00 Ec_ueg -0.1333142E-01 Delta_ex -0.9670678E-01 Delta_ec 0.1844063E-01 Delta_et -0.2549701E+00 Pxc 0.7530850E+01 Qxc -0.5244223E+01 3,-1 170 3 -1 2.797215 1.808139 0.575577 Rho 0.1466590E+00 |GRAD(Rho)| 0.1573050E-15 GRAD(Rho)x -0.1570738E-15 GRAD(Rho)y -0.8456777E-17 GRAD(Rho)z -0.1084202E-17 Laplacian 0.6156539E+00 (-1/4)Del**2(Rho)) -0.1539135E+00 Diamond 0.1213693E+01 Metallicity 0.4565177E+01 Ellipticity 0.1431046E-01 Gb(Abramov) 0.2197160E+00 Vb(Abramov) -0.2855186E+00 Hb(Abramov) -0.6580255E-01 Ex_ueg -0.5712110E-01 Ec_ueg -0.8229985E-02 Delta_ex -0.6574446E-01 Delta_ec 0.1569643E-01 Delta_et -0.2082620E+00 Pxc 0.6940609E+01 Qxc -0.4188499E+01 3,-1 171 3 -1 3.039722 1.997762 -0.852161 Rho 0.1840961E+00 |GRAD(Rho)| 0.1354508E-15 GRAD(Rho)x -0.1221354E-15 GRAD(Rho)y 0.3645630E-16 GRAD(Rho)z -0.4583465E-16 Laplacian 0.7167961E+00 (-1/4)Del**2(Rho)) -0.1791990E+00 Diamond 0.1849921E+01 Metallicity 0.5727411E+01 Ellipticity 0.5027311E-01 Gb(Abramov) 0.2905238E+00 Vb(Abramov) -0.4018485E+00 Hb(Abramov) -0.1113247E+00 Ex_ueg -0.7734716E-01 Ec_ueg -0.1066083E-01 Delta_ex -0.8094796E-01 Delta_ec 0.1715070E-01 Delta_et -0.2336864E+00 Pxc 0.7255267E+01 Qxc -0.4719806E+01 3,-1 172 3 -1 2.943162 -2.020666 0.827368 Rho 0.8098508E-01 |GRAD(Rho)| 0.2985850E-15 GRAD(Rho)x 0.1894033E-15 GRAD(Rho)y 0.1660371E-15 GRAD(Rho)z 0.1603467E-15 Laplacian 0.3218362E+00 (-1/4)Del**2(Rho)) -0.8045906E-01 Diamond 0.3064961E+00 Metallicity 0.3245786E+01 Ellipticity 0.3832514E-02 Gb(Abramov) 0.9716486E-01 Vb(Abramov) -0.1138707E+00 Hb(Abramov) -0.1670580E-01 Ex_ueg -0.2587766E-01 Ec_ueg -0.4188408E-02 Delta_ex -0.2979771E-01 Delta_ec 0.9238408E-02 Delta_et -0.1096441E+00 Pxc 0.6178401E+01 Qxc -0.3225416E+01 3,-1 173 3 -1 3.161016 0.045860 3.230040 Rho 0.2396979E+00 |GRAD(Rho)| 0.4579083E-13 GRAD(Rho)x -0.3185749E-13 GRAD(Rho)y -0.8362045E-14 GRAD(Rho)z -0.3181158E-13 Laplacian 0.8726092E+00 (-1/4)Del**2(Rho)) -0.2181523E+00 Diamond 0.3082050E+01 Metallicity 0.7304105E+01 Ellipticity 0.6955462E-02 Gb(Abramov) 0.4110028E+00 Vb(Abramov) -0.6038532E+00 Hb(Abramov) -0.1928505E+00 Ex_ueg -0.1099691E+00 Ec_ueg -0.1441823E-01 Delta_ex -0.1053972E+00 Delta_ec 0.1928916E-01 Delta_et -0.2672003E+00 Pxc 0.7627086E+01 Qxc -0.5464064E+01 3,-1 174 3 -1 3.227386 -0.100530 -3.212720 Rho 0.2325674E+00 |GRAD(Rho)| 0.4352818E-15 GRAD(Rho)x 0.4112379E-15 GRAD(Rho)y -0.3192298E-16 GRAD(Rho)z -0.1390489E-15 Laplacian 0.8570310E+00 (-1/4)Del**2(Rho)) -0.2142577E+00 Diamond 0.2917101E+01 Metallicity 0.7071825E+01 Ellipticity 0.1771873E-01 Gb(Abramov) 0.3953707E+00 Vb(Abramov) -0.5764837E+00 Hb(Abramov) -0.1811130E+00 Ex_ueg -0.1056291E+00 Ec_ueg -0.1392684E-01 Delta_ex -0.1026934E+00 Delta_ec 0.1909512E-01 Delta_et -0.2641255E+00 Pxc 0.7584574E+01 Qxc -0.5377992E+01 3,-1 175 3 -1 1.675807 -1.815938 0.462592 Rho 0.4206044E-01 |GRAD(Rho)| 0.7736132E-16 GRAD(Rho)x -0.3047138E-16 GRAD(Rho)y 0.6761208E-16 GRAD(Rho)z 0.2201989E-16 Laplacian 0.1709148E+00 (-1/4)Del**2(Rho)) -0.4272870E-01 Diamond 0.7054754E-01 Metallicity 0.2050957E+01 Ellipticity 0.1273498E-01 Gb(Abramov) 0.4309158E-01 Vb(Abramov) -0.4345447E-01 Hb(Abramov) -0.3628863E-03 Ex_ueg -0.1080314E-01 Ec_ueg -0.1980949E-02 Delta_ex -0.1358439E-01 Delta_ec 0.5298231E-02 Delta_et -0.5340058E-01 Pxc 0.5453519E+01 Qxc -0.2563948E+01 3,-1 176 3 -1 2.974819 0.806929 -2.005108 Rho 0.8078470E-01 |GRAD(Rho)| 0.7857535E-16 GRAD(Rho)x -0.4076261E-16 GRAD(Rho)y 0.5944477E-16 GRAD(Rho)z -0.3128601E-16 Laplacian 0.3244815E+00 (-1/4)Del**2(Rho)) -0.8112037E-01 Diamond 0.3083024E+00 Metallicity 0.3206061E+01 Ellipticity 0.1224503E-02 Gb(Abramov) 0.9742639E-01 Vb(Abramov) -0.1137324E+00 Hb(Abramov) -0.1630602E-01 Ex_ueg -0.2579233E-01 Ec_ueg -0.4176602E-02 Delta_ex -0.3003056E-01 Delta_ec 0.9327801E-02 Delta_et -0.1106519E+00 Pxc 0.6175433E+01 Qxc -0.3219469E+01 3,-1 177 3 -1 -3.224944 3.152581 -0.079957 Rho 0.2246803E+00 |GRAD(Rho)| 0.5343212E-15 GRAD(Rho)x 0.4819821E-15 GRAD(Rho)y -0.1817665E-15 GRAD(Rho)z 0.1419627E-15 Laplacian 0.8177345E+00 (-1/4)Del**2(Rho)) -0.2044336E+00 Diamond 0.2672836E+01 Metallicity 0.6997492E+01 Ellipticity 0.7976481E-02 Gb(Abramov) 0.3747095E+00 Vb(Abramov) -0.5449854E+00 Hb(Abramov) -0.1702759E+00 Ex_ueg -0.1008800E+00 Ec_ueg -0.1338654E-01 Delta_ex -0.9712600E-01 Delta_ec 0.1843041E-01 Delta_et -0.2546343E+00 Pxc 0.7535928E+01 Qxc -0.5269877E+01 3,-1 178 3 -1 -3.159446 -0.037392 3.258382 Rho 0.2396052E+00 |GRAD(Rho)| 0.1802728E-12 GRAD(Rho)x 0.1259254E-12 GRAD(Rho)y 0.3871090E-13 GRAD(Rho)z -0.1230550E-12 Laplacian 0.8856752E+00 (-1/4)Del**2(Rho)) -0.2214188E+00 Diamond 0.3115819E+01 Metallicity 0.7191713E+01 Ellipticity 0.1275773E-02 Gb(Abramov) 0.4130093E+00 Vb(Abramov) -0.6045998E+00 Hb(Abramov) -0.1915905E+00 Ex_ueg -0.1099124E+00 Ec_ueg -0.1441183E-01 Delta_ex -0.1069063E+00 Delta_ec 0.1947619E-01 Delta_et -0.2693291E+00 Pxc 0.7626542E+01 Qxc -0.5489077E+01 3,-1 179 3 -1 -0.562000 -0.535551 -0.541147 Rho 0.1896449E+00 |GRAD(Rho)| 0.3119224E-15 GRAD(Rho)x 0.2463307E-15 GRAD(Rho)y 0.1769418E-15 GRAD(Rho)z 0.7285839E-16 Laplacian 0.5113720E+00 (-1/4)Del**2(Rho)) -0.1278430E+00 Diamond 0.1380555E+01 Metallicity 0.8435516E+01 Ellipticity 0.2383364E-01 Gb(Abramov) 0.2649656E+00 Vb(Abramov) -0.4020882E+00 Hb(Abramov) -0.1371226E+00 Ex_ueg -0.8047112E-01 Ec_ueg -0.1102806E-01 Delta_ex -0.5827892E-01 Delta_ec 0.1230617E-01 Delta_et -0.1686937E+00 Pxc 0.7296943E+01 Qxc -0.4735747E+01 3,-1 180 3 -1 -0.857293 -3.477909 -1.277822 Rho 0.3218611E+00 |GRAD(Rho)| 0.2449539E-13 GRAD(Rho)x -0.1950970E-13 GRAD(Rho)y 0.6637970E-14 GRAD(Rho)z 0.1324135E-13 Laplacian -0.1672013E+01 (-1/4)Del**2(Rho)) 0.4180031E+00 Diamond 0.5803882E+01 Metallicity -0.6229997E+01 Ellipticity 0.3099101E-02 Gb(Abramov) 0.1553576E+00 Vb(Abramov) -0.7287184E+00 Hb(Abramov) -0.5733608E+00 Ex_ueg -0.1629083E+00 Ec_ueg -0.2028196E-01 Delta_ex 0.1671725E+00 Delta_ec 0.5781855E-01 Delta_et -0.1377647E+01 Pxc 0.8032176E+01 Qxc 0.2891331E+01 3,-1 181 3 +3 1.948603 1.921875 -1.921065 Rho 0.1194936E-01 |GRAD(Rho)| 0.1460430E-11 GRAD(Rho)x 0.1309049E-11 GRAD(Rho)y -0.4470892E-12 GRAD(Rho)z 0.4683557E-12 Laplacian 0.5541526E-01 (-1/4)Del**2(Rho)) -0.1385382E-01 Diamond 0.1427735E-02 Metallicity 0.7766493E+00 Ellipticity -0.8629900E+00 Gb(Abramov) 0.1102914E-01 Vb(Abramov) -0.8204457E-02 Hb(Abramov) 0.2824679E-02 Ex_ueg -0.2017644E-02 Ec_ueg -0.4572318E-03 Delta_ex -0.2494214E-02 Delta_ec 0.3146184E-03 Delta_et -0.2668352E-02 Pxc 0.4412738E+01 Qxc -0.7927744E+01 3,+3 182 3 -1 -0.083897 -3.217822 3.201048 Rho 0.2396925E+00 |GRAD(Rho)| 0.1295709E-11 GRAD(Rho)x 0.2415909E-12 GRAD(Rho)y 0.8823667E-12 GRAD(Rho)z -0.9175650E-12 Laplacian 0.8867986E+00 (-1/4)Del**2(Rho)) -0.2216996E+00 Diamond 0.3119151E+01 Metallicity 0.7186966E+01 Ellipticity 0.2384256E-02 Gb(Abramov) 0.4133578E+00 Vb(Abramov) -0.6050159E+00 Hb(Abramov) -0.1916581E+00 Ex_ueg -0.1099658E+00 Ec_ueg -0.1441786E-01 Delta_ex -0.1070415E+00 Delta_ec 0.1947984E-01 Delta_et -0.2692989E+00 Pxc 0.7627055E+01 Qxc -0.5494987E+01 3,-1 183 3 +1 0.564609 -1.666633 -1.685157 Rho 0.3209817E-02 |GRAD(Rho)| 0.2394247E-17 GRAD(Rho)x 0.1644202E-17 GRAD(Rho)y -0.7711159E-20 GRAD(Rho)z -0.1740390E-17 Laplacian 0.1227179E-01 (-1/4)Del**2(Rho)) -0.3067946E-02 Diamond 0.8804127E-04 Metallicity 0.3921985E+00 Ellipticity -0.1147859E+01 Gb(Abramov) 0.2245838E-02 Vb(Abramov) -0.1423730E-02 Hb(Abramov) 0.8221081E-03 Ex_ueg -0.3496972E-03 Ec_ueg -0.7070659E-04 Delta_ex -0.4447249E-03 Delta_ec 0.1774734E-03 Delta_et -0.9298902E-03 Pxc 0.4945751E+01 Qxc -0.2505867E+01 3,+1 184 3 -1 1.818922 -2.971191 -0.561211 Rho 0.2131348E+00 |GRAD(Rho)| 0.6527282E-15 GRAD(Rho)x -0.5821081E-15 GRAD(Rho)y -0.5147250E-16 GRAD(Rho)z -0.2907830E-15 Laplacian 0.8209891E+00 (-1/4)Del**2(Rho)) -0.2052473E+00 Diamond 0.2489562E+01 Metallicity 0.6383122E+01 Ellipticity 0.2708850E-01 Gb(Abramov) 0.3551846E+00 Vb(Abramov) -0.5051219E+00 Hb(Abramov) -0.1499373E+00 Ex_ueg -0.9402810E-01 Ec_ueg -0.1260181E-01 Delta_ex -0.9601208E-01 Delta_ec 0.1846118E-01 Delta_et -0.2530594E+00 Pxc 0.7461478E+01 Qxc -0.5200754E+01 3,-1 185 3 -1 3.242717 3.192584 0.058270 Rho 0.2400019E+00 |GRAD(Rho)| 0.2733823E-14 GRAD(Rho)x -0.2028000E-14 GRAD(Rho)y -0.1769526E-14 GRAD(Rho)z -0.4793529E-15 Laplacian 0.8732563E+00 (-1/4)Del**2(Rho)) -0.2183141E+00 Diamond 0.3089019E+01 Metallicity 0.7314128E+01 Ellipticity 0.3756315E-02 Gb(Abramov) 0.4116722E+00 Vb(Abramov) -0.6050304E+00 Hb(Abramov) -0.1933582E+00 Ex_ueg -0.1101551E+00 Ec_ueg -0.1443924E-01 Delta_ex -0.1055102E+00 Delta_ec 0.1929597E-01 Delta_et -0.2673053E+00 Pxc 0.7628869E+01 Qxc -0.5467988E+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 79 142 113 118 141 133 182 127 179 129 115 134 117 81 114 143 123 116 135 145 119 110 125 175 165 184 172 158 169 154 170 137 171 164 185 100 75 103 63 61 177 59 78 56 77 92 57 88 72 106 65 84 67 76 87 104 70 94 178 148 151 150 167 156 173 144 168 157 176 153 174 122 85 68 161 112 131 124 105 180 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 28 36 24 27 52 52 2.364078 1.963918 1.890769 1.972277 1.912646 1.743715 1.715866 1.689910 1.716705 1.716284 2.391886 1.940310 1.965484 1.920551 1.959925 1.732211 2.442099 1.936170 1.886270 2.047568 1.896298 1.736574 2.422430 1.952341 1.761080 2.152879 2.022156 1.743445 2.460481 1.920678 2.009285 1.845096 1.954858 1.743563 2.399849 1.801262 1.933893 2.001736 2.071087 1.742082 2.362569 1.907066 2.023142 1.921776 1.957308 1.732623 2.330508 2.260564 1.957510 2.002389 1.741999 1.747416 2.376617 2.000811 1.922013 1.928312 1.887907 1.743849 2.456298 1.962980 1.966320 1.858380 1.937562 1.744029 2.398769 1.937444 1.750189 2.173716 2.010414 1.755514 3.258291 3.210091 3.203901 3.055018 3.206353 3.217295 3.223508 1.903209 0.994833 2.365778 1.964271 1.891374 1.972879 1.913248 1.743721 1.715886 1.689955 1.716719 1.716294 2.393614 1.940825 1.966210 1.921326 1.960704 1.732232 2.443842 1.936730 1.886770 2.048285 1.896982 1.736589 2.423965 1.952905 1.761237 2.153697 2.022864 1.743478 2.462180 1.921135 2.009704 1.845459 1.955451 1.743574 2.401476 1.801641 1.934395 2.002584 2.071817 1.742108 2.364747 1.907803 2.023690 1.922555 1.958776 1.732653 2.332986 2.261054 1.958046 2.003218 1.742026 1.747453 2.378436 2.001304 1.922517 1.928930 1.888381 1.743856 2.457942 1.963367 1.966808 1.858802 1.938134 1.744039 2.400538 1.937888 1.750226 2.174276 2.011016 1.755539 3.303121 3.215326 3.215997 3.066761 3.209664 3.221448 3.227100 1.905664 0.994952 29 26 27 28 27 21 23 22 22 22 30 24 27 28 28 23 32 26 28 29 28 24 27 24 23 27 27 23 31 25 30 23 27 24 30 24 27 26 30 23 29 28 26 26 26 23 30 28 27 28 24 24 30 27 28 29 29 23 31 27 26 24 26 23 29 25 24 27 26 23 35 35 35 33 35 35 35 27 22 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 W As Mo Mo Mo W Mo Mo Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.4542 2.4265 2.3214 2.3183 2.2452 2.4358 2.3205 2.3031 2.2415 2.4320 2.4445 2.3313 -1.1217 -1.0337 -1.1222 -1.1153 -0.9176 -0.9646 -0.8543 -0.9687 -0.7621 -0.9356 -0.9260 -0.9599 -0.9155 -0.9366 -0.9218 -0.7571 -0.9389 -0.9255 -0.9483 -0.9444 -0.9734 -0.9322 -0.9378 -0.7161 -0.7678 -0.9142 -0.9505 -0.9333 -0.8049 -0.8358 -0.7216 -0.7415 -0.7539 -0.8073 -0.7523 -0.7196 -0.7484 -0.8053 -0.8109 0.3224 2.0909 0.8325 1.9527 1.9520 1.9898 2.0988 1.9325 1.9734 1.9818 2.0976 2.0935 2.1313 1.9364 1.9502 1.9377 1.9356 1.9381 1.9345 1.9590 1.9308 1.9687 1.9352 1.9390 1.9316 1.9395 1.9344 1.9385 1.9783 1.9459 1.9450 1.9472 1.9446 1.9411 1.9450 1.9447 1.9727 1.8798 1.9475 1.9425 1.9428 1.9632 1.9584 1.9748 1.9725 1.9706 1.9629 1.9703 1.9746 1.9692 1.9631 1.9625 0.5409 6.0957 1.1893 6.0757 6.0798 6.0970 6.0971 6.0780 6.0911 6.0892 6.1023 6.0970 6.1183 5.1483 5.0467 5.1478 5.1427 4.9524 5.0029 4.8668 5.0084 4.7577 4.9738 4.9623 4.9987 4.9505 4.9737 4.9556 4.7482 4.9644 4.9533 4.9705 4.9706 5.0006 4.9581 4.9630 4.7117 4.8594 4.9408 4.9786 4.9611 4.8071 4.8446 4.7139 4.7369 4.7523 4.8097 4.7507 4.7123 4.7485 4.8074 4.8137 0.1367 3.3296 10.5517 3.6502 3.6499 3.6680 3.3391 3.6690 3.6324 3.6875 3.3386 3.3357 3.3909 0.0370 0.0367 0.0368 0.0369 0.0271 0.0272 0.0285 0.0295 0.0358 0.0266 0.0247 0.0296 0.0255 0.0285 0.0277 0.0306 0.0286 0.0272 0.0305 0.0292 0.0316 0.0291 0.0302 0.0316 0.0287 0.0260 0.0294 0.0294 0.0347 0.0329 0.0329 0.0321 0.0310 0.0348 0.0312 0.0327 0.0307 0.0347 0.0346 0.0000 14.0296 0.0000 0.0000 0.0000 0.0000 14.0292 0.0000 0.0000 0.0000 14.0295 14.0292 14.0282 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 W As Mo Mo Mo W Mo Mo Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.509069 2.311630 3.172569 3.173043 3.141744 2.501232 3.161416 3.181833 3.152600 2.506467 2.502964 2.463351 -1.131072 -1.122694 -1.132274 -1.170125 -1.086858 -1.099076 -1.135697 -0.969315 -0.825009 -1.093014 -1.197003 -0.968179 -1.197407 -1.058858 -1.094710 -0.961669 -1.026600 -1.169419 -0.949146 -1.057672 -0.959056 -1.068269 -1.041417 -0.986739 -0.717094 -1.169232 -1.056013 -1.062532 -0.841602 -0.882314 -0.992330 -1.015997 -1.032522 -0.845198 -1.027119 -0.988714 -1.018829 -0.841383 -0.849220 0.063456 1.940679 1.707682 2.370555 2.361415 2.333464 1.944913 2.361692 2.355685 2.363840 1.946157 1.939583 1.932153 -0.787266 -0.832728 -0.792234 -0.846703 -0.821928 -0.830888 -0.905321 -0.725384 -0.709227 -0.825498 -0.917236 -0.723304 -0.924303 -0.812548 -0.840298 -0.759458 -0.877375 -0.933215 -0.798043 -0.866734 -0.786461 -0.866303 -0.870069 -0.773788 -0.869989 -0.966147 -0.871057 -0.858070 -0.740478 -0.785512 -0.770642 -0.795777 -0.820907 -0.741594 -0.802593 -0.750941 -0.808570 -0.733842 -0.749829 0.334445 2.044029 1.680342 2.463677 2.448817 2.411784 2.043087 2.440696 2.490088 2.457017 2.046060 2.043313 2.011779 -0.823996 -0.882826 -0.838609 -0.871097 -0.912384 -0.916792 -0.945856 -0.818748 -0.721241 -0.909120 -1.024688 -0.803859 -1.002010 -0.939031 -0.914872 -0.822818 -0.906992 -0.982292 -0.822348 -0.911318 -0.818852 -0.911764 -0.901994 -0.763531 -0.924012 -1.003578 -0.914283 -0.887399 -0.702884 -0.755534 -0.734512 -0.757425 -0.787431 -0.706681 -0.761145 -0.735819 -0.794653 -0.695784 -0.717378 0.464866 -2.11360581 -1.02501202 -1.28751929 2.67874692 -17.54538998 2.45494573 2.14520931 16.30408465 8.71908998 1.24130533 -347.3204 407.3960 -94.6628 -367.8042 -42.7029 -445.0943 Jun10-2024 15:43:42 Nodes: 1 Procs: 1 Jun10-2024 15:43:44 Nodes: 1 Procs: 1 0 Jun10-2024 15:43:47 Nodes: 1 Procs: 1 Jun10-2024 15:43:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:43:51 Nodes: 1 Procs: 1 Jun10-2024 15:43:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:43:54 Nodes: 1 Procs: 1 Jun10-2024 15:43:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:43:57 Nodes: 1 Procs: 1 Jun10-2024 15:43:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:44:04 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.76839817 -16.16724399 -16.00735474 -16.10409925 -16.25369056 -16.28799071 -16.32784341 -16.33196435 -16.33359569 -16.33694333 -16.34136416 -16.34513547 -16.34803905 -16.34953498 -16.35288941 -16.35427382 -16.35550340 -16.35598177 -16.35634735 -16.35645803 -16.35664927 -16.35674937 -16.35681606 -16.35687134 -16.35688858 -16.35689740 -16.35691201 -16.35691307 -16.35691601 GEOMETRY CONVERGED