ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:08 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 2.54 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.04 1.38 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:25 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 0.97 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:35 Arsenic (TZP, 3p frozen) c10-33 c10-33 c10-33 c10-33 c10-33 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.04 2.13 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 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:59 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2569.377600000003 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3,-3 48 3 -3 -3.715171 -3.796748 0.195141 Rho 0.3194053E+03 3,-3 49 3 -3 -3.776693 0.214242 -3.710450 Rho 0.3194050E+03 3,-3 50 3 -3 -3.791546 -0.226541 3.718061 Rho 0.3195546E+03 3,-3 51 3 -3 3.794066 0.206165 3.709296 Rho 0.3194039E+03 3,-3 52 3 -3 3.789844 -0.200449 -3.716123 Rho 0.3194033E+03 3,-3 53 3 -3 -0.011265 0.008449 -0.003950 Rho 0.4276078E+05 3,-3 54 3 +1 -0.538676 -0.520382 1.661938 Rho 0.8860099E-02 |GRAD(Rho)| 0.1097363E-16 GRAD(Rho)x -0.2024309E-18 GRAD(Rho)y -0.4283717E-17 GRAD(Rho)z 0.1010096E-16 Laplacian 0.3433186E-01 (-1/4)Del**2(Rho)) -0.8582964E-02 Diamond 0.9582026E-03 Metallicity 0.7614595E+00 Ellipticity -0.1467562E+01 Gb(Abramov) 0.6811240E-02 Vb(Abramov) -0.5039515E-02 Hb(Abramov) 0.1771725E-02 Ex_ueg -0.1354056E-02 Ec_ueg -0.3166326E-03 Delta_ex -0.1580890E-02 Delta_ec 0.4841510E-03 Delta_et -0.3333734E-02 Pxc 0.4276425E+01 Qxc -0.3265283E+01 3,+1 55 3 +1 -1.659686 0.531449 -0.529770 Rho 0.9368667E-02 |GRAD(Rho)| 0.1090580E-14 GRAD(Rho)x -0.6767383E-17 GRAD(Rho)y 0.1058264E-14 GRAD(Rho)z 0.2634309E-15 Laplacian 0.3630407E-01 (-1/4)Del**2(Rho)) -0.9076017E-02 Diamond 0.1073383E-02 Metallicity 0.7902919E+00 Ellipticity -0.1469925E+01 Gb(Abramov) 0.7246129E-02 Vb(Abramov) -0.5416240E-02 Hb(Abramov) 0.1829889E-02 Ex_ueg -0.1458665E-02 Ec_ueg -0.3395023E-03 Delta_ex -0.1687564E-02 Delta_ec 0.4976019E-03 Delta_et -0.3487031E-02 Pxc 0.4296480E+01 Qxc -0.3391395E+01 3,+1 56 3 +1 -2.897128 -0.172787 -0.151914 Rho 0.5459617E-02 |GRAD(Rho)| 0.8032033E-18 GRAD(Rho)x 0.1621438E-18 GRAD(Rho)y 0.7855553E-18 GRAD(Rho)z 0.4180605E-19 Laplacian 0.2243314E-01 (-1/4)Del**2(Rho)) -0.5608284E-02 Diamond 0.5653542E-03 Metallicity 0.5199882E+00 Ellipticity -0.2860235E+01 Gb(Abramov) 0.4224897E-02 Vb(Abramov) -0.2841509E-02 Hb(Abramov) 0.1383388E-02 Ex_ueg -0.7100158E-03 Ec_ueg -0.1667453E-03 Delta_ex -0.1115195E-02 Delta_ec 0.6718173E-03 Delta_et -0.3759915E-02 Pxc 0.4258085E+01 Qxc -0.1659968E+01 3,+1 57 3 -1 -1.815104 0.551689 -2.760425 Rho 0.1406886E+00 |GRAD(Rho)| 0.2067953E-16 GRAD(Rho)x 0.9378349E-17 GRAD(Rho)y -0.1835012E-16 GRAD(Rho)z -0.1721171E-17 Laplacian 0.5923757E+00 (-1/4)Del**2(Rho)) -0.1480939E+00 Diamond 0.1112041E+01 Metallicity 0.4427048E+01 Ellipticity 0.8005828E-02 Gb(Abramov) 0.2079991E+00 Vb(Abramov) -0.2679042E+00 Hb(Abramov) -0.5990517E-01 Ex_ueg -0.5404186E-01 Ec_ueg -0.7850142E-02 Delta_ex -0.6263125E-01 Delta_ec 0.1527922E-01 Delta_et -0.2015430E+00 Pxc 0.6884190E+01 Qxc -0.4099112E+01 3,-1 58 3 -1 -1.741918 -0.533516 -1.709977 Rho 0.4885132E-01 |GRAD(Rho)| 0.7919238E-16 GRAD(Rho)x -0.6589789E-16 GRAD(Rho)y 0.4321012E-16 GRAD(Rho)z 0.7860466E-17 Laplacian 0.1996336E+00 (-1/4)Del**2(Rho)) -0.4990840E-01 Diamond 0.9711904E-01 Metallicity 0.2253409E+01 Ellipticity 0.1110319E-01 Gb(Abramov) 0.5201627E-01 Vb(Abramov) -0.5412414E-01 Hb(Abramov) -0.2107874E-02 Ex_ueg -0.1318925E-01 Ec_ueg -0.2351478E-02 Delta_ex -0.1629505E-01 Delta_ec 0.5875252E-02 Delta_et -0.6155823E-01 Pxc 0.5608919E+01 Qxc -0.2773506E+01 3,-1 59 3 -1 -3.241025 -0.084329 3.160351 Rho 0.2422399E+00 |GRAD(Rho)| 0.2740064E-10 GRAD(Rho)x -0.1893552E-10 GRAD(Rho)y -0.4834516E-11 GRAD(Rho)z 0.1920596E-10 Laplacian 0.8632921E+00 (-1/4)Del**2(Rho)) -0.2158230E+00 Diamond 0.3104323E+01 Metallicity 0.7513890E+01 Ellipticity 0.2295357E-03 Gb(Abramov) 0.4141604E+00 Vb(Abramov) -0.6124978E+00 Hb(Abramov) -0.1983374E+00 Ex_ueg -0.1115268E+00 Ec_ueg -0.1459409E-01 Delta_ex -0.1046449E+00 Delta_ec 0.1917573E-01 Delta_et -0.2664017E+00 Pxc 0.7641917E+01 Qxc -0.5457154E+01 3,-1 60 3 -1 -1.836745 -0.557048 2.759241 Rho 0.1286926E+00 |GRAD(Rho)| 0.4449576E-15 GRAD(Rho)x -0.3907871E-15 GRAD(Rho)y 0.1729099E-15 GRAD(Rho)z -0.1239955E-15 Laplacian 0.5387707E+00 (-1/4)Del**2(Rho)) -0.1346927E+00 Diamond 0.8969647E+00 Metallicity 0.4195643E+01 Ellipticity 0.4827291E-02 Gb(Abramov) 0.1839822E+00 Vb(Abramov) -0.2332717E+00 Hb(Abramov) -0.4928952E-01 Ex_ueg -0.4798696E-01 Ec_ueg -0.7093832E-02 Delta_ex -0.5560374E-01 Delta_ec 0.1394201E-01 Delta_et -0.1808777E+00 Pxc 0.6764604E+01 Qxc -0.3988216E+01 3,-1 61 3 +1 -1.048494 -2.168660 -1.417795 Rho 0.2728491E-01 |GRAD(Rho)| 0.6659592E-16 GRAD(Rho)x -0.1273583E-16 GRAD(Rho)y -0.6479528E-16 GRAD(Rho)z -0.8624741E-17 Laplacian 0.1087357E+00 (-1/4)Del**2(Rho)) -0.2718393E-01 Diamond 0.1505740E-01 Metallicity 0.1567154E+01 Ellipticity -0.2886783E+01 Gb(Abramov) 0.2522285E-01 Vb(Abramov) -0.2326178E-01 Hb(Abramov) 0.1961073E-02 Ex_ueg -0.6066642E-02 Ec_ueg -0.1204430E-02 Delta_ex -0.6827932E-02 Delta_ec 0.1675316E-02 Delta_et -0.1513414E-01 Pxc 0.5036941E+01 Qxc -0.4075607E+01 3,+1 62 3 -1 -3.168354 -3.246181 0.042845 Rho 0.2526126E+00 |GRAD(Rho)| 0.3924116E-14 GRAD(Rho)x -0.2033963E-15 GRAD(Rho)y -0.3171075E-14 GRAD(Rho)z 0.2302520E-14 Laplacian 0.9209999E+00 (-1/4)Del**2(Rho)) -0.2302500E+00 Diamond 0.3448925E+01 Metallicity 0.7552868E+01 Ellipticity 0.1333127E-02 Gb(Abramov) 0.4433413E+00 Vb(Abramov) -0.6564325E+00 Hb(Abramov) -0.2130913E+00 Ex_ueg -0.1179393E+00 Ec_ueg -0.1531534E-01 Delta_ex -0.1127011E+00 Delta_ec 0.1989704E-01 Delta_et -0.2753393E+00 Pxc 0.7700728E+01 Qxc -0.5664213E+01 3,-1 63 3 +1 -2.891112 0.184280 0.203585 Rho 0.5416376E-02 |GRAD(Rho)| 0.7922039E-17 GRAD(Rho)x -0.9924881E-18 GRAD(Rho)y -0.7053009E-17 GRAD(Rho)z 0.3468245E-17 Laplacian 0.2254700E-01 (-1/4)Del**2(Rho)) -0.5636750E-02 Diamond 0.5417138E-03 Metallicity 0.5105510E+00 Ellipticity -0.2274427E+01 Gb(Abramov) 0.4237475E-02 Vb(Abramov) -0.2838200E-02 Hb(Abramov) 0.1399275E-02 Ex_ueg -0.7025278E-03 Ec_ueg -0.1648750E-03 Delta_ex -0.1102006E-02 Delta_ec 0.6447343E-03 Delta_et -0.3612634E-02 Pxc 0.4260973E+01 Qxc -0.1709241E+01 3,+1 64 3 -1 -3.006878 0.852790 1.979659 Rho 0.1339192E+00 |GRAD(Rho)| 0.3365971E-15 GRAD(Rho)x 0.8555710E-16 GRAD(Rho)y -0.2492174E-15 GRAD(Rho)z 0.2094475E-15 Laplacian 0.5236841E+00 (-1/4)Del**2(Rho)) -0.1309210E+00 Diamond 0.9186371E+00 Metallicity 0.4612630E+01 Ellipticity 0.5285081E-01 Gb(Abramov) 0.1879291E+00 Vb(Abramov) -0.2449371E+00 Hb(Abramov) -0.5700803E-01 Ex_ueg -0.5060292E-01 Ec_ueg -0.7422202E-02 Delta_ex -0.5461785E-01 Delta_ec 0.1350626E-01 Delta_et -0.1764903E+00 Pxc 0.6817778E+01 Qxc -0.4043892E+01 3,-1 65 3 +1 -0.167141 2.897681 0.182416 Rho 0.5334720E-02 |GRAD(Rho)| 0.1999974E-17 GRAD(Rho)x 0.3691656E-18 GRAD(Rho)y 0.9179138E-18 GRAD(Rho)z -0.1738116E-17 Laplacian 0.2199891E-01 (-1/4)Del**2(Rho)) -0.5499726E-02 Diamond 0.5196106E-03 Metallicity 0.5101895E+00 Ellipticity -0.2325047E+01 Gb(Abramov) 0.4134135E-02 Vb(Abramov) -0.2768543E-02 Hb(Abramov) 0.1365592E-02 Ex_ueg -0.6884418E-03 Ec_ueg -0.1613455E-03 Delta_ex -0.1073431E-02 Delta_ec 0.6317400E-03 Delta_et -0.3522719E-02 Pxc 0.4266880E+01 Qxc -0.1699166E+01 3,+1 66 3 +1 -1.756255 -1.722588 1.752113 Rho 0.1223387E-01 |GRAD(Rho)| 0.6804309E-14 GRAD(Rho)x -0.5427089E-14 GRAD(Rho)y 0.3993862E-14 GRAD(Rho)z -0.9457207E-15 Laplacian 0.6172415E-01 (-1/4)Del**2(Rho)) -0.1543104E-01 Diamond 0.2530754E-02 Metallicity 0.7251558E+00 Ellipticity -0.1243420E+01 Gb(Abramov) 0.1215234E-01 Vb(Abramov) -0.8873648E-02 Hb(Abramov) 0.3278695E-02 Ex_ueg -0.2081950E-02 Ec_ueg -0.4703761E-03 Delta_ex -0.3047007E-02 Delta_ec 0.7967048E-03 Delta_et -0.6005604E-02 Pxc 0.4426139E+01 Qxc -0.3824512E+01 3,+1 67 3 -1 -2.969618 2.014940 0.861732 Rho 0.1382260E+00 |GRAD(Rho)| 0.1808886E-15 GRAD(Rho)x -0.6779652E-16 GRAD(Rho)y 0.1207259E-15 GRAD(Rho)z 0.1164027E-15 Laplacian 0.5418388E+00 (-1/4)Del**2(Rho)) -0.1354597E+00 Diamond 0.1002231E+01 Metallicity 0.4699582E+01 Ellipticity 0.3225233E-01 Gb(Abramov) 0.1964071E+00 Vb(Abramov) -0.2573546E+00 Hb(Abramov) -0.6094743E-01 Ex_ueg -0.5278429E-01 Ec_ueg -0.7694122E-02 Delta_ex -0.5711357E-01 Delta_ec 0.1416305E-01 Delta_et -0.1865809E+00 Pxc 0.6860339E+01 Qxc -0.4032575E+01 3,-1 68 3 -1 -1.710462 1.741144 0.536203 Rho 0.5004667E-01 |GRAD(Rho)| 0.4693744E-16 GRAD(Rho)x 0.1465367E-18 GRAD(Rho)y -0.4666432E-16 GRAD(Rho)z 0.5054034E-17 Laplacian 0.2051749E+00 (-1/4)Del**2(Rho)) -0.5129374E-01 Diamond 0.1033643E+00 Metallicity 0.2282693E+01 Ellipticity 0.1195169E-01 Gb(Abramov) 0.5371047E-01 Vb(Abramov) -0.5612720E-01 Hb(Abramov) -0.2416732E-02 Ex_ueg -0.1362130E-01 Ec_ueg -0.2417454E-02 Delta_ex -0.1685900E-01 Delta_ec 0.6053677E-02 Delta_et -0.6383334E-01 Pxc 0.5634566E+01 Qxc -0.2784919E+01 3,-1 69 3 -1 -3.002198 -0.861560 -1.964561 Rho 0.1417190E+00 |GRAD(Rho)| 0.1116847E-15 GRAD(Rho)x -0.9043601E-16 GRAD(Rho)y 0.6526897E-16 GRAD(Rho)z -0.5895349E-17 Laplacian 0.5588393E+00 (-1/4)Del**2(Rho)) -0.1397098E+00 Diamond 0.1061334E+01 Metallicity 0.4750138E+01 Ellipticity 0.3833114E-01 Gb(Abramov) 0.2037467E+00 Vb(Abramov) -0.2677836E+00 Hb(Abramov) -0.6403687E-01 Ex_ueg -0.5457022E-01 Ec_ueg -0.7915534E-02 Delta_ex -0.5922307E-01 Delta_ec 0.1444638E-01 Delta_et -0.1908877E+00 Pxc 0.6894066E+01 Qxc -0.4099510E+01 3,-1 70 3 -1 -2.902056 -0.025556 -0.005463 Rho 0.5487361E-02 |GRAD(Rho)| 0.9215368E-16 GRAD(Rho)x 0.3578756E-16 GRAD(Rho)y -0.7157016E-16 GRAD(Rho)z -0.4570847E-16 Laplacian 0.2199627E-01 (-1/4)Del**2(Rho)) -0.5499067E-02 Diamond 0.6688518E-03 Metallicity 0.5348146E+00 Ellipticity 0.2613551E+01 Gb(Abramov) 0.4156209E-02 Vb(Abramov) -0.2813350E-02 Hb(Abramov) 0.1342859E-02 Ex_ueg -0.7148305E-03 Ec_ueg -0.1679458E-03 Delta_ex -0.1185395E-02 Delta_ec 0.8208754E-03 Delta_et -0.4532942E-02 Pxc 0.4256316E+01 Qxc -0.1444062E+01 3,-1 71 3 -1 -2.808581 -0.583755 1.790066 Rho 0.1459616E+00 |GRAD(Rho)| 0.3573332E-15 GRAD(Rho)x 0.6169788E-16 GRAD(Rho)y 0.2625667E-15 GRAD(Rho)z 0.2343910E-15 Laplacian 0.6155492E+00 (-1/4)Del**2(Rho)) -0.1538873E+00 Diamond 0.1184830E+01 Metallicity 0.4529826E+01 Ellipticity 0.2409473E-01 Gb(Abramov) 0.2187720E+00 Vb(Abramov) -0.2836566E+00 Hb(Abramov) -0.6488467E-01 Ex_ueg -0.5675924E-01 Ec_ueg -0.8185502E-02 Delta_ex -0.6543207E-01 Delta_ec 0.1531144E-01 Delta_et -0.2021264E+00 Pxc 0.6934119E+01 Qxc -0.4273410E+01 3,-1 72 3 +1 -0.533769 1.656255 -0.540791 Rho 0.9207031E-02 |GRAD(Rho)| 0.7135821E-14 GRAD(Rho)x 0.4469095E-14 GRAD(Rho)y -0.5029602E-14 GRAD(Rho)z 0.2377023E-14 Laplacian 0.3563374E-01 (-1/4)Del**2(Rho)) -0.8908434E-02 Diamond 0.1034163E-02 Metallicity 0.7821400E+00 Ellipticity -0.1470035E+01 Gb(Abramov) 0.7100230E-02 Vb(Abramov) -0.5292026E-02 Hb(Abramov) 0.1808204E-02 Ex_ueg -0.1425207E-02 Ec_ueg -0.3322215E-03 Delta_ex -0.1651233E-02 Delta_ec 0.4923291E-03 Delta_et -0.3431673E-02 Pxc 0.4289929E+01 Qxc -0.3353921E+01 3,+1 73 3 +1 -2.179809 -1.247859 -1.206141 Rho 0.2960178E-01 |GRAD(Rho)| 0.5872084E-14 GRAD(Rho)x -0.5406117E-14 GRAD(Rho)y -0.1782105E-14 GRAD(Rho)z -0.1442002E-14 Laplacian 0.1219952E+00 (-1/4)Del**2(Rho)) -0.3049879E-01 Diamond 0.2182294E-01 Metallicity 0.1600050E+01 Ellipticity -0.8634967E+01 Gb(Abramov) 0.2846580E-01 Vb(Abramov) -0.2643280E-01 Hb(Abramov) 0.2032998E-02 Ex_ueg -0.6763044E-02 Ec_ueg -0.1323085E-02 Delta_ex -0.8085790E-02 Delta_ec 0.2331147E-02 Delta_et -0.2140657E-01 Pxc 0.5111572E+01 Qxc -0.3468588E+01 3,+1 74 3 +1 -1.683558 -0.530011 0.539481 Rho 0.8695322E-02 |GRAD(Rho)| 0.3490092E-17 GRAD(Rho)x 0.2295506E-17 GRAD(Rho)y 0.2610370E-17 GRAD(Rho)z -0.3120274E-18 Laplacian 0.3370696E-01 (-1/4)Del**2(Rho)) -0.8426741E-02 Diamond 0.9207981E-03 Metallicity 0.7516857E+00 Ellipticity -0.1463860E+01 Gb(Abramov) 0.6673538E-02 Vb(Abramov) -0.4920334E-02 Hb(Abramov) 0.1753204E-02 Ex_ueg -0.1320584E-02 Ec_ueg -0.3092471E-03 Delta_ex -0.1546436E-02 Delta_ec 0.4783562E-03 Delta_et -0.3275546E-02 Pxc 0.4270319E+01 Qxc -0.3232812E+01 3,+1 75 3 +3 -1.130925 -1.088616 1.111084 Rho 0.5241151E-02 |GRAD(Rho)| 0.1063250E-14 GRAD(Rho)x -0.7668055E-15 GRAD(Rho)y -0.3368228E-15 GRAD(Rho)z 0.6550273E-15 Laplacian 0.2037129E-01 (-1/4)Del**2(Rho)) -0.5092823E-02 Diamond 0.1504713E-03 Metallicity 0.5349408E+00 Ellipticity -0.4504030E-01 Gb(Abramov) 0.3849275E-02 Vb(Abramov) -0.2605727E-02 Hb(Abramov) 0.1243548E-02 Ex_ueg -0.6723891E-03 Ec_ueg -0.1573052E-03 Delta_ex -0.7119812E-03 Delta_ec 0.8775227E-04 Delta_et -0.7059998E-03 Pxc 0.4274423E+01 Qxc -0.8113536E+01 3,+3 76 3 -1 -3.223364 0.066236 -3.165393 Rho 0.2527181E+00 |GRAD(Rho)| 0.7837629E-15 GRAD(Rho)x -0.6787106E-15 GRAD(Rho)y 0.9519295E-16 GRAD(Rho)z -0.3802297E-15 Laplacian 0.9213147E+00 (-1/4)Del**2(Rho)) -0.2303287E+00 Diamond 0.3451070E+01 Metallicity 0.7555544E+01 Ellipticity 0.1259762E-02 Gb(Abramov) 0.4435955E+00 Vb(Abramov) -0.6568624E+00 Hb(Abramov) -0.2132669E+00 Ex_ueg -0.1180049E+00 Ec_ueg -0.1532271E-01 Delta_ex -0.1127482E+00 Delta_ec 0.1989448E-01 Delta_et -0.2752733E+00 Pxc 0.7701312E+01 Qxc -0.5667310E+01 3,-1 77 3 -1 -1.719666 -1.748433 -0.543777 Rho 0.4844219E-01 |GRAD(Rho)| 0.6678290E-16 GRAD(Rho)x 0.5028962E-16 GRAD(Rho)y -0.2637788E-16 GRAD(Rho)z -0.3514424E-16 Laplacian 0.1988888E+00 (-1/4)Del**2(Rho)) -0.4972221E-01 Diamond 0.9574178E-01 Metallicity 0.2230364E+01 Ellipticity 0.1226945E-01 Gb(Abramov) 0.5163124E-01 Vb(Abramov) -0.5354027E-01 Hb(Abramov) -0.1909032E-02 Ex_ueg -0.1304218E-01 Ec_ueg -0.2328947E-02 Delta_ex -0.1620373E-01 Delta_ec 0.5860543E-02 Delta_et -0.6127111E-01 Pxc 0.5600033E+01 Qxc -0.2764885E+01 3,-1 78 3 +1 -0.534723 -1.648197 0.536106 Rho 0.9031310E-02 |GRAD(Rho)| 0.5734150E-14 GRAD(Rho)x -0.3558920E-14 GRAD(Rho)y 0.9511924E-15 GRAD(Rho)z -0.4394293E-14 Laplacian 0.3532960E-01 (-1/4)Del**2(Rho)) -0.8832400E-02 Diamond 0.1006569E-02 Metallicity 0.7639395E+00 Ellipticity -0.1458157E+01 Gb(Abramov) 0.7012837E-02 Vb(Abramov) -0.5193273E-02 Hb(Abramov) 0.1819563E-02 Ex_ueg -0.1389055E-02 Ec_ueg -0.3243191E-03 Delta_ex -0.1632416E-02 Delta_ec 0.4940360E-03 Delta_et -0.3421886E-02 Pxc 0.4282987E+01 Qxc -0.3304245E+01 3,+1 79 3 +3 -2.331588 -0.007254 0.022580 Rho 0.4789047E-02 |GRAD(Rho)| 0.5210088E-16 GRAD(Rho)x 0.5201088E-16 GRAD(Rho)y -0.1110900E-17 GRAD(Rho)z 0.2852293E-17 Laplacian 0.1956655E-01 (-1/4)Del**2(Rho)) -0.4891637E-02 Diamond 0.1854650E-03 Metallicity 0.4791970E+00 Ellipticity -0.3143324E+00 Gb(Abramov) 0.3651767E-02 Vb(Abramov) -0.2411898E-02 Hb(Abramov) 0.1239869E-02 Ex_ueg -0.5961888E-03 Ec_ueg -0.1378459E-03 Delta_ex -0.7237021E-03 Delta_ec 0.1856789E-03 Delta_et -0.1170237E-02 Pxc 0.4325037E+01 Qxc -0.3897599E+01 3,+3 80 3 +1 -0.542866 0.525070 -1.659693 Rho 0.9177396E-02 |GRAD(Rho)| 0.1637378E-16 GRAD(Rho)x -0.1036021E-17 GRAD(Rho)y -0.5831077E-17 GRAD(Rho)z 0.1526519E-16 Laplacian 0.3562204E-01 (-1/4)Del**2(Rho)) -0.8905509E-02 Diamond 0.1027775E-02 Metallicity 0.7782041E+00 Ellipticity -0.1463258E+01 Gb(Abramov) 0.7092057E-02 Vb(Abramov) -0.5278604E-02 Hb(Abramov) 0.1813452E-02 Ex_ueg -0.1419093E-02 Ec_ueg -0.3308878E-03 Delta_ex -0.1648708E-02 Delta_ec 0.4910532E-03 Delta_et -0.3420872E-02 Pxc 0.4288745E+01 Qxc -0.3357493E+01 3,+1 81 3 -1 -2.778796 0.564764 -1.776392 Rho 0.1447533E+00 |GRAD(Rho)| 0.1987653E-15 GRAD(Rho)x -0.5522655E-17 GRAD(Rho)y -0.1459472E-15 GRAD(Rho)z 0.1348205E-15 Laplacian 0.6100383E+00 (-1/4)Del**2(Rho)) -0.1525096E+00 Diamond 0.1182238E+01 Metallicity 0.4507859E+01 Ellipticity 0.8712905E-02 Gb(Abramov) 0.2162550E+00 Vb(Abramov) -0.2800004E+00 Hb(Abramov) -0.6374543E-01 Ex_ueg -0.5613364E-01 Ec_ueg -0.8108503E-02 Delta_ex -0.6491933E-01 Delta_ec 0.1557289E-01 Delta_et -0.2061674E+00 Pxc 0.6922812E+01 Qxc -0.4168741E+01 3,-1 82 3 +1 -1.734854 1.733045 -1.737886 Rho 0.1236197E-01 |GRAD(Rho)| 0.2613401E-16 GRAD(Rho)x 0.2157733E-16 GRAD(Rho)y 0.1370963E-16 GRAD(Rho)z 0.5426884E-17 Laplacian 0.6245521E-01 (-1/4)Del**2(Rho)) -0.1561380E-01 Diamond 0.2587438E-02 Metallicity 0.7292175E+00 Ellipticity -0.1241122E+01 Gb(Abramov) 0.1230685E-01 Vb(Abramov) -0.8999887E-02 Hb(Abramov) 0.3306958E-02 Ex_ueg -0.2111066E-02 Ec_ueg -0.4763043E-03 Delta_ex -0.3088783E-02 Delta_ec 0.8011084E-03 Delta_et -0.6057964E-02 Pxc 0.4432179E+01 Qxc -0.3855636E+01 3,+1 83 3 +3 -1.107304 1.111811 -1.116492 Rho 0.5479594E-02 |GRAD(Rho)| 0.2989688E-17 GRAD(Rho)x -0.2376324E-18 GRAD(Rho)y -0.1702960E-17 GRAD(Rho)z -0.2445750E-17 Laplacian 0.2128366E-01 (-1/4)Del**2(Rho)) -0.5320916E-02 Diamond 0.1629109E-03 Metallicity 0.5514177E+00 Ellipticity -0.1133939E-01 Gb(Abramov) 0.4036285E-02 Vb(Abramov) -0.2751654E-02 Hb(Abramov) 0.1284631E-02 Ex_ueg -0.7134818E-03 Ec_ueg -0.1676097E-03 Delta_ex -0.7497232E-03 Delta_ec 0.8552579E-04 Delta_et -0.7111618E-03 Pxc 0.4256805E+01 Qxc -0.8766049E+01 3,+3 84 3 +1 -2.171426 1.083451 1.375063 Rho 0.2833868E-01 |GRAD(Rho)| 0.3681247E-16 GRAD(Rho)x 0.3447364E-16 GRAD(Rho)y -0.1253172E-16 GRAD(Rho)z -0.3111612E-17 Laplacian 0.1147781E+00 (-1/4)Del**2(Rho)) -0.2869452E-01 Diamond 0.1778474E-01 Metallicity 0.1581443E+01 Ellipticity -0.3765645E+01 Gb(Abramov) 0.2669281E-01 Vb(Abramov) -0.2469109E-01 Hb(Abramov) 0.2001718E-02 Ex_ueg -0.6381035E-02 Ec_ueg -0.1258237E-02 Delta_ex -0.7377483E-02 Delta_ec 0.1938528E-02 Delta_et -0.1764010E-01 Pxc 0.5071410E+01 Qxc -0.3805713E+01 3,+1 85 3 -1 -2.751778 1.816209 -0.544580 Rho 0.1357254E+00 |GRAD(Rho)| 0.1846630E-14 GRAD(Rho)x 0.1745837E-15 GRAD(Rho)y 0.1490114E-14 GRAD(Rho)z 0.1076626E-14 Laplacian 0.5711911E+00 (-1/4)Del**2(Rho)) -0.1427978E+00 Diamond 0.1027685E+01 Metallicity 0.4324476E+01 Ellipticity 0.8447930E-02 Gb(Abramov) 0.1981195E+00 Vb(Abramov) -0.2534411E+00 Hb(Abramov) -0.5532168E-01 Ex_ueg -0.5151494E-01 Ec_ueg -0.7536093E-02 Delta_ex -0.5987438E-01 Delta_ec 0.1487587E-01 Delta_et -0.1951760E+00 Pxc 0.6835761E+01 Qxc -0.4024933E+01 3,-1 86 3 -1 -2.981472 -2.013908 -0.856845 Rho 0.1406917E+00 |GRAD(Rho)| 0.5364526E-15 GRAD(Rho)x -0.2357327E-15 GRAD(Rho)y 0.2771763E-15 GRAD(Rho)z -0.3941888E-15 Laplacian 0.5522914E+00 (-1/4)Del**2(Rho)) -0.1380729E+00 Diamond 0.1041109E+01 Metallicity 0.4748528E+01 Ellipticity 0.3287885E-01 Gb(Abramov) 0.2013224E+00 Vb(Abramov) -0.2645719E+00 Hb(Abramov) -0.6324952E-01 Ex_ueg -0.5404345E-01 Ec_ueg -0.7850338E-02 Delta_ex -0.5844003E-01 Delta_ec 0.1432833E-01 Delta_et -0.1891750E+00 Pxc 0.6884219E+01 Qxc -0.4078635E+01 3,-1 87 3 -1 -2.772468 -1.834671 0.544241 Rho 0.1251789E+00 |GRAD(Rho)| 0.1252557E-13 GRAD(Rho)x 0.5951548E-14 GRAD(Rho)y 0.1095212E-13 GRAD(Rho)z 0.1232873E-14 Laplacian 0.5240609E+00 (-1/4)Del**2(Rho)) -0.1310152E+00 Diamond 0.8587291E+00 Metallicity 0.4118922E+01 Ellipticity 0.1472696E-01 Gb(Abramov) 0.1772837E+00 Vb(Abramov) -0.2235522E+00 Hb(Abramov) -0.4626851E-01 Ex_ueg -0.4624805E-01 Ec_ueg -0.6874100E-02 Delta_ex -0.5391332E-01 Delta_ec 0.1398650E-01 Delta_et -0.1812410E+00 Pxc 0.6727870E+01 Qxc -0.3854668E+01 3,-1 88 3 +1 1.728514 -1.758976 -1.747158 Rho 0.1225052E-01 |GRAD(Rho)| 0.2843042E-14 GRAD(Rho)x -0.2275542E-14 GRAD(Rho)y -0.1230965E-14 GRAD(Rho)z -0.1178780E-14 Laplacian 0.6187596E-01 (-1/4)Del**2(Rho)) -0.1546899E-01 Diamond 0.2543692E-02 Metallicity 0.7250185E+00 Ellipticity -0.1245501E+01 Gb(Abramov) 0.1218188E-01 Vb(Abramov) -0.8894764E-02 Hb(Abramov) 0.3287113E-02 Ex_ueg -0.2085730E-02 Ec_ueg -0.4711464E-03 Delta_ex -0.3056155E-02 Delta_ec 0.7996556E-03 Delta_et -0.6029088E-02 Pxc 0.4426924E+01 Qxc -0.3821839E+01 3,+1 89 3 -1 -1.761881 0.522182 1.712730 Rho 0.4247074E-01 |GRAD(Rho)| 0.6077943E-16 GRAD(Rho)x -0.6023527E-16 GRAD(Rho)y -0.7928017E-17 GRAD(Rho)z 0.1731759E-17 Laplacian 0.1786641E+00 (-1/4)Del**2(Rho)) -0.4466602E-01 Diamond 0.7416078E-01 Metallicity 0.1994002E+01 Ellipticity 0.1805291E-01 Gb(Abramov) 0.4462137E-01 Vb(Abramov) -0.4457672E-01 Hb(Abramov) 0.4464885E-04 Ex_ueg -0.1094389E-01 Ec_ueg -0.2003119E-02 Delta_ex -0.1420410E-01 Delta_ec 0.5484089E-02 Delta_et -0.5541084E-01 Pxc 0.5463423E+01 Qxc -0.2590056E+01 3,-1 90 3 +1 -1.396817 1.077610 2.174526 Rho 0.2659036E-01 |GRAD(Rho)| 0.9600348E-14 GRAD(Rho)x -0.7237392E-14 GRAD(Rho)y -0.4839984E-14 GRAD(Rho)z 0.4044921E-14 Laplacian 0.1063448E+00 (-1/4)Del**2(Rho)) -0.2658621E-01 Diamond 0.1527855E-01 Metallicity 0.1534984E+01 Ellipticity -0.3783393E+01 Gb(Abramov) 0.2452571E-01 Vb(Abramov) -0.2246520E-01 Hb(Abramov) 0.2060504E-02 Ex_ueg -0.5861616E-02 Ec_ueg -0.1169115E-02 Delta_ex -0.6737857E-02 Delta_ec 0.1829070E-02 Delta_et -0.1638513E-01 Pxc 0.5013720E+01 Qxc -0.3683761E+01 3,+1 91 3 -1 -2.027195 0.834843 2.975829 Rho 0.1119626E+00 |GRAD(Rho)| 0.1116903E-15 GRAD(Rho)x 0.1718799E-16 GRAD(Rho)y -0.1100533E-15 GRAD(Rho)z -0.8219608E-17 Laplacian 0.4346868E+00 (-1/4)Del**2(Rho)) -0.1086717E+00 Diamond 0.6172245E+00 Metallicity 0.4123109E+01 Ellipticity 0.2657757E-01 Gb(Abramov) 0.1471253E+00 Vb(Abramov) -0.1855790E+00 Hb(Abramov) -0.3845364E-01 Ex_ueg -0.3985494E-01 Ec_ueg -0.6055232E-02 Delta_ex -0.4346599E-01 Delta_ec 0.1175805E-01 Delta_et -0.1491628E+00 Pxc 0.6581902E+01 Qxc -0.3696702E+01 3,-1 92 3 +3 -0.008712 -0.027746 -2.324233 Rho 0.4752219E-02 |GRAD(Rho)| 0.3216026E-12 GRAD(Rho)x 0.1739941E-12 GRAD(Rho)y 0.1770480E-12 GRAD(Rho)z 0.2044707E-12 Laplacian 0.1943511E-01 (-1/4)Del**2(Rho)) -0.4858777E-02 Diamond 0.1820804E-03 Metallicity 0.4762704E+00 Ellipticity -0.3051436E+00 Gb(Abramov) 0.3624867E-02 Vb(Abramov) -0.2390956E-02 Hb(Abramov) 0.1233910E-02 Ex_ueg -0.5900837E-03 Ec_ueg -0.1362654E-03 Delta_ex -0.7172082E-03 Delta_ec 0.1840452E-03 Delta_et -0.1158306E-02 Pxc 0.4330400E+01 Qxc -0.3896914E+01 3,+3 93 3 -1 0.019952 0.004136 -2.896199 Rho 0.5449713E-02 |GRAD(Rho)| 0.9961295E-17 GRAD(Rho)x 0.8493099E-17 GRAD(Rho)y -0.5145560E-17 GRAD(Rho)z 0.7860602E-18 Laplacian 0.2185865E-01 (-1/4)Del**2(Rho)) -0.5464662E-02 Diamond 0.6568191E-03 Metallicity 0.5320420E+00 Ellipticity 0.2893057E+01 Gb(Abramov) 0.4127680E-02 Vb(Abramov) -0.2790697E-02 Hb(Abramov) 0.1336982E-02 Ex_ueg -0.7082989E-03 Ec_ueg -0.1663168E-03 Delta_ex -0.1175059E-02 Delta_ec 0.8131847E-03 Delta_et -0.4481927E-02 Pxc 0.4258733E+01 Qxc -0.1445009E+01 3,-1 94 3 +3 -0.008751 -2.316113 -0.009766 Rho 0.4717253E-02 |GRAD(Rho)| 0.2093523E-13 GRAD(Rho)x -0.1697093E-13 GRAD(Rho)y 0.1080093E-13 GRAD(Rho)z 0.5797518E-14 Laplacian 0.1926803E-01 (-1/4)Del**2(Rho)) -0.4817008E-02 Diamond 0.1772917E-03 Metallicity 0.4745235E+00 Ellipticity -0.3004956E+00 Gb(Abramov) 0.3592303E-02 Vb(Abramov) -0.2367597E-02 Hb(Abramov) 0.1224705E-02 Ex_ueg -0.5843019E-03 Ec_ueg -0.1347654E-03 Delta_ex -0.7082757E-03 Delta_ec 0.1799143E-03 Delta_et -0.1133742E-02 Pxc 0.4335696E+01 Qxc -0.3936740E+01 3,+3 95 3 -1 -1.972033 -3.021028 -0.874514 Rho 0.1572068E+00 |GRAD(Rho)| 0.2486057E-14 GRAD(Rho)x -0.1121756E-14 GRAD(Rho)y 0.9082091E-15 GRAD(Rho)z 0.2024178E-14 Laplacian 0.6179814E+00 (-1/4)Del**2(Rho)) -0.1544954E+00 Diamond 0.1327452E+01 Metallicity 0.5106108E+01 Ellipticity 0.5246095E-01 Gb(Abramov) 0.2344752E+00 Vb(Abramov) -0.3144551E+00 Hb(Abramov) -0.7997988E-01 Ex_ueg -0.6266334E-01 Ec_ueg -0.8906438E-02 Delta_ex -0.6716118E-01 Delta_ec 0.1553844E-01 Delta_et -0.2082653E+00 Pxc 0.7035735E+01 Qxc -0.4322260E+01 3,-1 96 3 -1 -1.790632 -2.782521 0.558948 Rho 0.1434563E+00 |GRAD(Rho)| 0.2078204E-15 GRAD(Rho)x 0.1828371E-15 GRAD(Rho)y -0.9615518E-16 GRAD(Rho)z 0.2267338E-16 Laplacian 0.6060766E+00 (-1/4)Del**2(Rho)) -0.1515191E+00 Diamond 0.1163019E+01 Metallicity 0.4469768E+01 Ellipticity 0.1058062E-01 Gb(Abramov) 0.2138887E+00 Vb(Abramov) -0.2762582E+00 Hb(Abramov) -0.6236953E-01 Ex_ueg -0.5546400E-01 Ec_ueg -0.8025947E-02 Delta_ex -0.6436739E-01 Delta_ec 0.1552660E-01 Delta_et -0.2053306E+00 Pxc 0.6910586E+01 Qxc -0.4145621E+01 3,-1 97 3 +1 -0.184982 -2.891139 -0.178545 Rho 0.5362803E-02 |GRAD(Rho)| 0.2014431E-12 GRAD(Rho)x -0.1873576E-12 GRAD(Rho)y -0.3632340E-13 GRAD(Rho)z 0.6447527E-13 Laplacian 0.2219525E-01 (-1/4)Del**2(Rho)) -0.5548813E-02 Diamond 0.5311517E-03 Metallicity 0.5101206E+00 Ellipticity -0.2361306E+01 Gb(Abramov) 0.4170969E-02 Vb(Abramov) -0.2793125E-02 Hb(Abramov) 0.1377844E-02 Ex_ueg -0.6932781E-03 Ec_ueg -0.1625589E-03 Delta_ex -0.1086851E-02 Delta_ec 0.6421896E-03 Delta_et -0.3584460E-02 Pxc 0.4264780E+01 Qxc -0.1692414E+01 3,+1 98 3 -1 -1.774554 2.782125 -0.565710 Rho 0.1427965E+00 |GRAD(Rho)| 0.2699116E-13 GRAD(Rho)x -0.1310113E-13 GRAD(Rho)y -0.1197950E-13 GRAD(Rho)z 0.2033162E-13 Laplacian 0.6032179E+00 (-1/4)Del**2(Rho)) -0.1508045E+00 Diamond 0.1151761E+01 Metallicity 0.4456577E+01 Ellipticity 0.8564932E-02 Gb(Abramov) 0.2125483E+00 Vb(Abramov) -0.2742921E+00 Hb(Abramov) -0.6174381E-01 Ex_ueg -0.5512413E-01 Ec_ueg -0.7983992E-02 Delta_ex -0.6399825E-01 Delta_ec 0.1548260E-01 Delta_et -0.2046356E+00 Pxc 0.6904332E+01 Qxc -0.4133559E+01 3,-1 99 3 -1 -1.957339 3.009177 0.863428 Rho 0.1482895E+00 |GRAD(Rho)| 0.1315515E-14 GRAD(Rho)x -0.7285974E-15 GRAD(Rho)y 0.6312767E-16 GRAD(Rho)z -0.1093499E-14 Laplacian 0.5829145E+00 (-1/4)Del**2(Rho)) -0.1457286E+00 Diamond 0.1169526E+01 Metallicity 0.4911254E+01 Ellipticity 0.4626570E-01 Gb(Abramov) 0.2164375E+00 Vb(Abramov) -0.2871463E+00 Hb(Abramov) -0.7070885E-01 Ex_ueg -0.5796943E-01 Ec_ueg -0.8334109E-02 Delta_ex -0.6246804E-01 Delta_ec 0.1491166E-01 Delta_et -0.1983656E+00 Pxc 0.6955684E+01 Qxc -0.4189207E+01 3,-1 100 3 -1 -0.531936 -1.720994 -1.754537 Rho 0.4173975E-01 |GRAD(Rho)| 0.7267356E-16 GRAD(Rho)x -0.2230142E-16 GRAD(Rho)y 0.4848459E-16 GRAD(Rho)z 0.4932887E-16 Laplacian 0.1761054E+00 (-1/4)Del**2(Rho)) -0.4402634E-01 Diamond 0.7130891E-01 Metallicity 0.1965276E+01 Ellipticity 0.1116861E-01 Gb(Abramov) 0.4377155E-01 Vb(Abramov) -0.4351675E-01 Hb(Abramov) 0.2547936E-03 Ex_ueg -0.1069346E-01 Ec_ueg -0.1963642E-02 Delta_ex -0.1393606E-01 Delta_ec 0.5397826E-02 Delta_et -0.5428334E-01 Pxc 0.5445728E+01 Qxc -0.2581792E+01 3,-1 101 3 +1 -1.059465 2.168634 1.405316 Rho 0.2799655E-01 |GRAD(Rho)| 0.5483291E-16 GRAD(Rho)x -0.1557226E-16 GRAD(Rho)y 0.4794859E-16 GRAD(Rho)z 0.2156582E-16 Laplacian 0.1127262E+00 (-1/4)Del**2(Rho)) -0.2818156E-01 Diamond 0.1661210E-01 Metallicity 0.1577959E+01 Ellipticity -0.3198563E+01 Gb(Abramov) 0.2619926E-01 Vb(Abramov) -0.2421697E-01 Hb(Abramov) 0.1982294E-02 Ex_ueg -0.6278528E-02 Ec_ueg -0.1240738E-02 Delta_ex -0.7169190E-02 Delta_ec 0.1809702E-02 Delta_et -0.1643394E-01 Pxc 0.5060318E+01 Qxc -0.3961531E+01 3,+1 102 3 +1 0.515854 -1.670279 -0.540992 Rho 0.8647657E-02 |GRAD(Rho)| 0.1192862E-16 GRAD(Rho)x 0.6113636E-17 GRAD(Rho)y -0.1019642E-16 GRAD(Rho)z -0.9737901E-18 Laplacian 0.3362036E-01 (-1/4)Del**2(Rho)) -0.8405090E-02 Diamond 0.9102974E-03 Metallicity 0.7467494E+00 Ellipticity -0.1456334E+01 Gb(Abramov) 0.6649476E-02 Vb(Abramov) -0.4893862E-02 Hb(Abramov) 0.1755614E-02 Ex_ueg -0.1310941E-02 Ec_ueg -0.3071129E-03 Delta_ex -0.1539747E-02 Delta_ec 0.4761047E-03 Delta_et -0.3256339E-02 Pxc 0.4268594E+01 Qxc -0.3234050E+01 3,+1 103 3 +1 0.530436 1.675281 0.533091 Rho 0.8577750E-02 |GRAD(Rho)| 0.3046097E-16 GRAD(Rho)x -0.1983794E-16 GRAD(Rho)y -0.1890525E-16 GRAD(Rho)z -0.1330107E-16 Laplacian 0.3308142E-01 (-1/4)Del**2(Rho)) -0.8270354E-02 Diamond 0.9056064E-03 Metallicity 0.7487176E+00 Ellipticity -0.1488973E+01 Gb(Abramov) 0.6545596E-02 Vb(Abramov) -0.4820838E-02 Hb(Abramov) 0.1724758E-02 Ex_ueg -0.1296830E-02 Ec_ueg -0.3039847E-03 Delta_ex -0.1520889E-02 Delta_ec 0.4844195E-03 Delta_et -0.3293406E-02 Pxc 0.4266101E+01 Qxc -0.3139611E+01 3,+1 104 3 -1 -0.856501 -1.983646 -3.005646 Rho 0.1347685E+00 |GRAD(Rho)| 0.1886807E-15 GRAD(Rho)x -0.6605502E-16 GRAD(Rho)y 0.8924339E-17 GRAD(Rho)z -0.1765149E-15 Laplacian 0.5271644E+00 (-1/4)Del**2(Rho)) -0.1317911E+00 Diamond 0.9312220E+00 Metallicity 0.4630711E+01 Ellipticity 0.5310923E-01 Gb(Abramov) 0.1895751E+00 Vb(Abramov) -0.2473592E+00 Hb(Abramov) -0.5778405E-01 Ex_ueg -0.5103125E-01 Ec_ueg -0.7475728E-02 Delta_ex -0.5505871E-01 Delta_ec 0.1356352E-01 Delta_et -0.1773887E+00 Pxc 0.6826258E+01 Qxc -0.4059324E+01 3,-1 105 3 +1 -1.089408 -1.375038 -2.165040 Rho 0.2800101E-01 |GRAD(Rho)| 0.4692737E-16 GRAD(Rho)x -0.1333223E-16 GRAD(Rho)y -0.3868918E-17 GRAD(Rho)z -0.4482701E-16 Laplacian 0.1130771E+00 (-1/4)Del**2(Rho)) -0.2826927E-01 Diamond 0.1732855E-01 Metallicity 0.1573480E+01 Ellipticity -0.3863363E+01 Gb(Abramov) 0.2625970E-01 Vb(Abramov) -0.2425014E-01 Hb(Abramov) 0.2009566E-02 Ex_ueg -0.6279860E-02 Ec_ueg -0.1240966E-02 Delta_ex -0.7253541E-02 Delta_ec 0.1925541E-02 Delta_et -0.1746944E-01 Pxc 0.5060463E+01 Qxc -0.3767014E+01 3,+1 106 3 +1 -0.180679 -0.196293 -2.888415 Rho 0.5389710E-02 |GRAD(Rho)| 0.3566885E-14 GRAD(Rho)x -0.2477192E-14 GRAD(Rho)y -0.2558603E-14 GRAD(Rho)z -0.1993376E-15 Laplacian 0.2241493E-01 (-1/4)Del**2(Rho)) -0.5603732E-02 Diamond 0.5441929E-03 Metallicity 0.5093522E+00 Ellipticity -0.2405031E+01 Gb(Abramov) 0.4211533E-02 Vb(Abramov) -0.2819335E-02 Hb(Abramov) 0.1392198E-02 Ex_ueg -0.6979199E-03 Ec_ueg -0.1637220E-03 Delta_ex -0.1102205E-02 Delta_ec 0.6547844E-03 Delta_et -0.3657478E-02 Pxc 0.4262836E+01 Qxc -0.1683310E+01 3,+1 107 3 +1 0.528949 0.548230 1.660401 Rho 0.8682027E-02 |GRAD(Rho)| 0.1092910E-11 GRAD(Rho)x -0.5255318E-12 GRAD(Rho)y 0.9457358E-12 GRAD(Rho)z 0.1544446E-12 Laplacian 0.3378009E-01 (-1/4)Del**2(Rho)) -0.8445021E-02 Diamond 0.9286644E-03 Metallicity 0.7481482E+00 Ellipticity -0.1468774E+01 Gb(Abramov) 0.6683036E-02 Vb(Abramov) -0.4921050E-02 Hb(Abramov) 0.1761986E-02 Ex_ueg -0.1317892E-02 Ec_ueg -0.3086517E-03 Delta_ex -0.1552657E-02 Delta_ec 0.4855829E-03 Delta_et -0.3318750E-02 Pxc 0.4269836E+01 Qxc -0.3197512E+01 3,+1 108 3 -1 -0.845722 2.976400 2.026868 Rho 0.1246036E+00 |GRAD(Rho)| 0.1400830E-12 GRAD(Rho)x 0.2714976E-13 GRAD(Rho)y 0.9590320E-13 GRAD(Rho)z -0.9843128E-13 Laplacian 0.4835936E+00 (-1/4)Del**2(Rho)) -0.1208984E+00 Diamond 0.7792821E+00 Metallicity 0.4429452E+01 Ellipticity 0.3783507E-01 Gb(Abramov) 0.1698512E+00 Vb(Abramov) -0.2188040E+00 Hb(Abramov) -0.4895281E-01 Ex_ueg -0.4596483E-01 Ec_ueg -0.6838197E-02 Delta_ex -0.4958360E-01 Delta_ec 0.1272095E-01 Delta_et -0.1643668E+00 Pxc 0.6721776E+01 Qxc -0.3897789E+01 3,-1 109 3 +1 -0.186086 0.208629 2.892231 Rho 0.5255725E-02 |GRAD(Rho)| 0.1218582E-14 GRAD(Rho)x -0.7512226E-15 GRAD(Rho)y 0.9356934E-15 GRAD(Rho)z 0.2123293E-15 Laplacian 0.2185282E-01 (-1/4)Del**2(Rho)) -0.5463204E-02 Diamond 0.5021684E-03 Metallicity 0.5009874E+00 Ellipticity -0.2168964E+01 Gb(Abramov) 0.4098302E-02 Vb(Abramov) -0.2733400E-02 Hb(Abramov) 0.1364902E-02 Ex_ueg -0.6748831E-03 Ec_ueg -0.1579342E-03 Delta_ex -0.1059870E-02 Delta_ec 0.6217544E-03 Delta_et -0.3454262E-02 Pxc 0.4273191E+01 Qxc -0.1704644E+01 3,+1 110 3 -1 0.069552 -0.043429 2.894273 Rho 0.5348397E-02 |GRAD(Rho)| 0.2766494E-13 GRAD(Rho)x 0.1874740E-13 GRAD(Rho)y -0.1876156E-13 GRAD(Rho)z 0.7866873E-14 Laplacian 0.2151273E-01 (-1/4)Del**2(Rho)) -0.5378183E-02 Diamond 0.6164074E-03 Metallicity 0.5239506E+00 Ellipticity 0.6154952E+01 Gb(Abramov) 0.4055106E-02 Vb(Abramov) -0.2732028E-02 Hb(Abramov) 0.1323077E-02 Ex_ueg -0.6907961E-03 Ec_ueg -0.1619364E-03 Delta_ex -0.1140669E-02 Delta_ec 0.7792149E-03 Delta_et -0.4277379E-02 Pxc 0.4265848E+01 Qxc -0.1463869E+01 3,-1 111 3 +1 0.128782 -0.102353 2.892019 Rho 0.5346599E-02 |GRAD(Rho)| 0.1641636E-16 GRAD(Rho)x -0.8900278E-17 GRAD(Rho)y -0.1376936E-16 GRAD(Rho)z -0.8286057E-18 Laplacian 0.2173737E-01 (-1/4)Del**2(Rho)) -0.5434341E-02 Diamond 0.5783024E-03 Metallicity 0.5182456E+00 Ellipticity -0.6521668E+01 Gb(Abramov) 0.4092281E-02 Vb(Abramov) -0.2750222E-02 Hb(Abramov) 0.1342060E-02 Ex_ueg -0.6904866E-03 Ec_ueg -0.1618587E-03 Delta_ex -0.1114923E-02 Delta_ec 0.7202468E-03 Delta_et -0.3976677E-02 Pxc 0.4265983E+01 Qxc -0.1547973E+01 3,+1 112 3 -1 0.461456 0.473100 -0.480373 Rho 0.1873703E+00 |GRAD(Rho)| 0.2002084E-15 GRAD(Rho)x 0.2428613E-16 GRAD(Rho)y 0.1387779E-15 GRAD(Rho)z -0.1422473E-15 Laplacian 0.5192946E+00 (-1/4)Del**2(Rho)) -0.1298237E+00 Diamond 0.1401437E+01 Metallicity 0.8141426E+01 Ellipticity 0.2831096E-02 Gb(Abramov) 0.2627074E+00 Vb(Abramov) -0.3955911E+00 Hb(Abramov) -0.1328837E+00 Ex_ueg -0.7918677E-01 Ec_ueg -0.1087731E-01 Delta_ex -0.5914719E-01 Delta_ec 0.1279709E-01 Delta_et -0.1760292E+00 Pxc 0.7279997E+01 Qxc -0.4621926E+01 3,-1 113 3 -1 0.533025 -1.706190 1.736662 Rho 0.4726498E-01 |GRAD(Rho)| 0.1490153E-16 GRAD(Rho)x 0.1228388E-16 GRAD(Rho)y -0.3630807E-17 GRAD(Rho)z 0.7614403E-17 Laplacian 0.1930417E+00 (-1/4)Del**2(Rho)) -0.4826042E-01 Diamond 0.8965195E-01 Metallicity 0.2205606E+01 Ellipticity 0.1211099E-01 Gb(Abramov) 0.4991419E-01 Vb(Abramov) -0.5156796E-01 Hb(Abramov) -0.1653768E-02 Ex_ueg -0.1262131E-01 Ec_ueg -0.2264259E-02 Delta_ex -0.1562019E-01 Delta_ec 0.5671204E-02 Delta_et -0.5890620E-01 Pxc 0.5574145E+01 Qxc -0.2754299E+01 3,-1 114 3 -1 -0.835952 -2.979953 -2.019264 Rho 0.1169481E+00 |GRAD(Rho)| 0.1816822E-15 GRAD(Rho)x 0.5351215E-16 GRAD(Rho)y 0.1177816E-15 GRAD(Rho)z -0.1275632E-15 Laplacian 0.4560849E+00 (-1/4)Del**2(Rho)) -0.1140212E+00 Diamond 0.6805962E+00 Metallicity 0.4225613E+01 Ellipticity 0.3027344E-01 Gb(Abramov) 0.1563157E+00 Vb(Abramov) -0.1986103E+00 Hb(Abramov) -0.4229452E-01 Ex_ueg -0.4223860E-01 Ec_ueg -0.6362685E-02 Delta_ex -0.4605368E-01 Delta_ec 0.1216719E-01 Delta_et -0.1554941E+00 Pxc 0.6638487E+01 Qxc -0.3785070E+01 3,-1 115 3 +1 0.134552 -2.887497 0.148391 Rho 0.5417947E-02 |GRAD(Rho)| 0.7062218E-16 GRAD(Rho)x 0.5050668E-16 GRAD(Rho)y -0.1777522E-17 GRAD(Rho)z 0.4932959E-16 Laplacian 0.2217482E-01 (-1/4)Del**2(Rho)) -0.5543704E-02 Diamond 0.5773180E-03 Metallicity 0.5193710E+00 Ellipticity -0.3837803E+01 Gb(Abramov) 0.4175676E-02 Vb(Abramov) -0.2807648E-02 Hb(Abramov) 0.1368028E-02 Ex_ueg -0.7027994E-03 Ec_ueg -0.1649429E-03 Delta_ex -0.1120871E-02 Delta_ec 0.7001372E-03 Delta_et -0.3894290E-02 Pxc 0.4260866E+01 Qxc -0.1600930E+01 3,+1 116 3 -1 -0.560892 -2.746195 1.824040 Rho 0.1368177E+00 |GRAD(Rho)| 0.5095957E-15 GRAD(Rho)x 0.2165694E-15 GRAD(Rho)y 0.9482703E-16 GRAD(Rho)z 0.4514347E-15 Laplacian 0.5774405E+00 (-1/4)Del**2(Rho)) -0.1443601E+00 Diamond 0.1049843E+01 Metallicity 0.4335204E+01 Ellipticity 0.9224407E-02 Gb(Abramov) 0.2005452E+00 Vb(Abramov) -0.2567302E+00 Hb(Abramov) -0.5618506E-01 Ex_ueg -0.5206845E-01 Ec_ueg -0.7605072E-02 Delta_ex -0.6065697E-01 Delta_ec 0.1502685E-01 Delta_et -0.1974374E+00 Pxc 0.6846542E+01 Qxc -0.4036571E+01 3,-1 117 3 -1 0.533548 1.712266 -1.745695 Rho 0.4875009E-01 |GRAD(Rho)| 0.6789441E-16 GRAD(Rho)x 0.4081640E-16 GRAD(Rho)y -0.4768711E-16 GRAD(Rho)z 0.2587686E-16 Laplacian 0.1996608E+00 (-1/4)Del**2(Rho)) -0.4991521E-01 Diamond 0.9695305E-01 Metallicity 0.2245325E+01 Ellipticity 0.1162195E-01 Gb(Abramov) 0.5195612E-01 Vb(Abramov) -0.5399703E-01 Hb(Abramov) -0.2040910E-02 Ex_ueg -0.1315282E-01 Ec_ueg -0.2345901E-02 Delta_ex -0.1629296E-01 Delta_ec 0.5883655E-02 Delta_et -0.6161488E-01 Pxc 0.5606726E+01 Qxc -0.2769191E+01 3,-1 118 3 -1 -0.548461 1.718538 1.765426 Rho 0.4288626E-01 |GRAD(Rho)| 0.6091226E-14 GRAD(Rho)x -0.4290964E-14 GRAD(Rho)y 0.2928292E-14 GRAD(Rho)z -0.3180529E-14 Laplacian 0.1820125E+00 (-1/4)Del**2(Rho)) -0.4550312E-01 Diamond 0.7665166E-01 Metallicity 0.1989340E+01 Ellipticity 0.8718614E-02 Gb(Abramov) 0.4542227E-01 Vb(Abramov) -0.4534143E-01 Hb(Abramov) 0.8084542E-04 Ex_ueg -0.1108688E-01 Ec_ueg -0.2025600E-02 Delta_ex -0.1451020E-01 Delta_ec 0.5595450E-02 Delta_et -0.5668581E-01 Pxc 0.5473379E+01 Qxc -0.2593214E+01 3,-1 119 3 -1 -0.873182 1.979373 3.030955 Rho 0.1518546E+00 |GRAD(Rho)| 0.7282402E-14 GRAD(Rho)x -0.6825378E-14 GRAD(Rho)y 0.2150122E-14 GRAD(Rho)z -0.1350767E-14 Laplacian 0.5925792E+00 (-1/4)Del**2(Rho)) -0.1481448E+00 Diamond 0.1207565E+01 Metallicity 0.5026279E+01 Ellipticity 0.6895396E-01 Gb(Abramov) 0.2228660E+00 Vb(Abramov) -0.2975873E+00 Hb(Abramov) -0.7472124E-01 Ex_ueg -0.5983504E-01 Ec_ueg -0.8562339E-02 Delta_ex -0.6372081E-01 Delta_ec 0.1479408E-01 Delta_et -0.1968146E+00 Pxc 0.6988165E+01 Qxc -0.4307183E+01 3,-1 120 3 -1 -0.562066 1.779874 -2.785985 Rho 0.1407836E+00 |GRAD(Rho)| 0.1180083E-11 GRAD(Rho)x -0.7769299E-12 GRAD(Rho)y -0.8559173E-12 GRAD(Rho)z -0.2374498E-12 Laplacian 0.5937594E+00 (-1/4)Del**2(Rho)) -0.1484398E+00 Diamond 0.1114610E+01 Metallicity 0.4421701E+01 Ellipticity 0.7983913E-02 Gb(Abramov) 0.2083527E+00 Vb(Abramov) -0.2682655E+00 Hb(Abramov) -0.5991282E-01 Ex_ueg -0.5409051E-01 Ec_ueg -0.7856166E-02 Delta_ex -0.6277777E-01 Delta_ec 0.1529435E-01 Delta_et -0.2017251E+00 Pxc 0.6885102E+01 Qxc -0.4104638E+01 3,-1 121 3 +3 0.009630 2.325351 0.009194 Rho 0.4703830E-02 |GRAD(Rho)| 0.6284490E-15 GRAD(Rho)x -0.1414697E-15 GRAD(Rho)y -0.5738592E-15 GRAD(Rho)z -0.2135887E-15 Laplacian 0.1915662E-01 (-1/4)Del**2(Rho)) -0.4789156E-02 Diamond 0.1782140E-03 Metallicity 0.4750218E+00 Ellipticity -0.3326420E+00 Gb(Abramov) 0.3571930E-02 Vb(Abramov) -0.2354703E-02 Hb(Abramov) 0.1217226E-02 Ex_ueg -0.5820861E-03 Ec_ueg -0.1341897E-03 Delta_ex -0.7063148E-03 Delta_ec 0.1836006E-03 Delta_et -0.1149695E-02 Pxc 0.4337784E+01 Qxc -0.3847019E+01 3,+3 122 3 -1 0.861967 1.961625 -3.009678 Rho 0.1438594E+00 |GRAD(Rho)| 0.7441069E-13 GRAD(Rho)x -0.1832254E-13 GRAD(Rho)y -0.5169865E-13 GRAD(Rho)z -0.5028404E-13 Laplacian 0.5671935E+00 (-1/4)Del**2(Rho)) -0.1417984E+00 Diamond 0.1096564E+01 Metallicity 0.4798576E+01 Ellipticity 0.3994875E-01 Gb(Abramov) 0.2079373E+00 Vb(Abramov) -0.2740762E+00 Hb(Abramov) -0.6613892E-01 Ex_ueg -0.5567191E-01 Ec_ueg -0.8051594E-02 Delta_ex -0.6032643E-01 Delta_ec 0.1460478E-01 Delta_et -0.1934024E+00 Pxc 0.6914396E+01 Qxc -0.4130595E+01 3,-1 123 3 -1 -0.548124 2.758968 -1.823017 Rho 0.1390092E+00 |GRAD(Rho)| 0.3590889E-15 GRAD(Rho)x 0.3350862E-15 GRAD(Rho)y -0.1353897E-16 GRAD(Rho)z -0.1283695E-15 Laplacian 0.5855398E+00 (-1/4)Del**2(Rho)) -0.1463849E+00 Diamond 0.1084377E+01 Metallicity 0.4389983E+01 Ellipticity 0.8067740E-02 Gb(Abramov) 0.2046945E+00 Vb(Abramov) -0.2630041E+00 Hb(Abramov) -0.5830959E-01 Ex_ueg -0.5318346E-01 Ec_ueg -0.7743702E-02 Delta_ex -0.6173780E-01 Delta_ec 0.1516508E-01 Delta_et -0.1997120E+00 Pxc 0.6867963E+01 Qxc -0.4071051E+01 3,-1 124 3 +1 0.180824 2.888460 -0.173294 Rho 0.5369361E-02 |GRAD(Rho)| 0.2305185E-12 GRAD(Rho)x 0.1539650E-12 GRAD(Rho)y 0.6740079E-13 GRAD(Rho)z -0.1577678E-12 Laplacian 0.2219434E-01 (-1/4)Del**2(Rho)) -0.5548585E-02 Diamond 0.5537031E-03 Metallicity 0.5111816E+00 Ellipticity -0.2869848E+01 Gb(Abramov) 0.4171779E-02 Vb(Abramov) -0.2794973E-02 Hb(Abramov) 0.1376806E-02 Ex_ueg -0.6944087E-03 Ec_ueg -0.1628424E-03 Delta_ex -0.1105395E-02 Delta_ec 0.6748762E-03 Delta_et -0.3754001E-02 Pxc 0.4264300E+01 Qxc -0.1637923E+01 3,+1 125 3 +1 1.668184 0.546226 0.514136 Rho 0.8653212E-02 |GRAD(Rho)| 0.2266329E-14 GRAD(Rho)x -0.1617931E-14 GRAD(Rho)y -0.1396216E-14 GRAD(Rho)z -0.7544026E-15 Laplacian 0.3361802E-01 (-1/4)Del**2(Rho)) -0.8404506E-02 Diamond 0.9123872E-03 Metallicity 0.7476011E+00 Ellipticity -0.1459066E+01 Gb(Abramov) 0.6650207E-02 Vb(Abramov) -0.4895908E-02 Hb(Abramov) 0.1754299E-02 Ex_ueg -0.1312064E-02 Ec_ueg -0.3073616E-03 Delta_ex -0.1540496E-02 Delta_ec 0.4771536E-03 Delta_et -0.3263181E-02 Pxc 0.4268794E+01 Qxc -0.3228511E+01 3,+1 126 3 -1 -0.564907 -1.772653 2.789590 Rho 0.1442709E+00 |GRAD(Rho)| 0.2044964E-13 GRAD(Rho)x -0.1982708E-13 GRAD(Rho)y -0.4432625E-15 GRAD(Rho)z -0.4987818E-14 Laplacian 0.6044639E+00 (-1/4)Del**2(Rho)) -0.1511160E+00 Diamond 0.1167085E+01 Metallicity 0.4524187E+01 Ellipticity 0.1201562E-01 Gb(Abramov) 0.2146901E+00 Vb(Abramov) -0.2782643E+00 Hb(Abramov) -0.6357416E-01 Ex_ueg -0.5588431E-01 Ec_ueg -0.8077782E-02 Delta_ex -0.6427713E-01 Delta_ec 0.1544961E-01 Delta_et -0.2044504E+00 Pxc 0.6918275E+01 Qxc -0.4160436E+01 3,-1 127 3 +1 0.518329 -0.544724 -1.670231 Rho 0.8724985E-02 |GRAD(Rho)| 0.1413801E-16 GRAD(Rho)x -0.7365683E-17 GRAD(Rho)y 0.3106285E-17 GRAD(Rho)z 0.1166109E-16 Laplacian 0.3394822E-01 (-1/4)Del**2(Rho)) -0.8487054E-02 Diamond 0.9360416E-03 Metallicity 0.7505922E+00 Ellipticity -0.1466438E+01 Gb(Abramov) 0.6719755E-02 Vb(Abramov) -0.4952457E-02 Hb(Abramov) 0.1767299E-02 Ex_ueg -0.1326594E-02 Ec_ueg -0.3105758E-03 Delta_ex -0.1560765E-02 Delta_ec 0.4852035E-03 Delta_et -0.3322602E-02 Pxc 0.4271402E+01 Qxc -0.3216721E+01 3,+1 128 3 -1 -0.483502 -0.467311 -0.470311 Rho 0.1869846E+00 |GRAD(Rho)| 0.5417894E-15 GRAD(Rho)x 0.3434752E-15 GRAD(Rho)y 0.3712308E-15 GRAD(Rho)z -0.1942890E-15 Laplacian 0.5181003E+00 (-1/4)Del**2(Rho)) -0.1295251E+00 Diamond 0.1394403E+01 Metallicity 0.8132222E+01 Ellipticity 0.2383090E-02 Gb(Abramov) 0.2619045E+00 Vb(Abramov) -0.3942839E+00 Hb(Abramov) -0.1323794E+00 Ex_ueg -0.7896955E-01 Ec_ueg -0.1085178E-01 Delta_ex -0.5897794E-01 Delta_ec 0.1276987E-01 Delta_et -0.1756021E+00 Pxc 0.7277105E+01 Qxc -0.4618522E+01 3,-1 129 3 -1 0.542050 2.761282 1.848279 Rho 0.1092498E+00 |GRAD(Rho)| 0.4800539E-13 GRAD(Rho)x 0.4984294E-14 GRAD(Rho)y -0.2239862E-13 GRAD(Rho)z -0.4216606E-13 Laplacian 0.4524550E+00 (-1/4)Del**2(Rho)) -0.1131137E+00 Diamond 0.6218440E+00 Metallicity 0.3802528E+01 Ellipticity 0.8563418E-02 Gb(Abramov) 0.1470955E+00 Vb(Abramov) -0.1810773E+00 Hb(Abramov) -0.3398179E-01 Ex_ueg -0.3857265E-01 Ec_ueg -0.5888702E-02 Delta_ex -0.4495220E-01 Delta_ec 0.1225539E-01 Delta_et -0.1546957E+00 Pxc 0.6550280E+01 Qxc -0.3667954E+01 3,-1 130 3 -1 -0.480341 0.479423 0.467642 Rho 0.1888805E+00 |GRAD(Rho)| 0.3334281E-15 GRAD(Rho)x -0.2636780E-15 GRAD(Rho)y 0.1942890E-15 GRAD(Rho)z 0.6245005E-16 Laplacian 0.5254724E+00 (-1/4)Del**2(Rho)) -0.1313681E+00 Diamond 0.1430092E+01 Metallicity 0.8154085E+01 Ellipticity 0.2616333E-02 Gb(Abramov) 0.2661098E+00 Vb(Abramov) -0.4008515E+00 Hb(Abramov) -0.1347417E+00 Ex_ueg -0.8003893E-01 Ec_ueg -0.1097737E-01 Delta_ex -0.5995905E-01 Delta_ec 0.1289895E-01 Delta_et -0.1775087E+00 Pxc 0.7291269E+01 Qxc -0.4648365E+01 3,-1 131 3 +3 -0.005427 0.027601 2.321344 Rho 0.4651096E-02 |GRAD(Rho)| 0.4302961E-12 GRAD(Rho)x 0.4261520E-12 GRAD(Rho)y 0.3682020E-13 GRAD(Rho)z 0.4683415E-13 Laplacian 0.1897103E-01 (-1/4)Del**2(Rho)) -0.4742757E-02 Diamond 0.1737168E-03 Metallicity 0.4707401E+00 Ellipticity -0.3333213E+00 Gb(Abramov) 0.3533939E-02 Vb(Abramov) -0.2325121E-02 Hb(Abramov) 0.1208818E-02 Ex_ueg -0.5734015E-03 Ec_ueg -0.1319291E-03 Delta_ex -0.6973744E-03 Delta_ec 0.1816565E-03 Delta_et -0.1134642E-02 Pxc 0.4346286E+01 Qxc -0.3838972E+01 3,+3 132 3 +1 0.160527 0.144188 -2.892092 Rho 0.5426449E-02 |GRAD(Rho)| 0.3317488E-16 GRAD(Rho)x -0.3278020E-16 GRAD(Rho)y 0.2692900E-17 GRAD(Rho)z -0.4333592E-17 Laplacian 0.2225979E-01 (-1/4)Del**2(Rho)) -0.5564949E-02 Diamond 0.5612957E-03 Metallicity 0.5187421E+00 Ellipticity -0.3012951E+01 Gb(Abramov) 0.4191095E-02 Vb(Abramov) -0.2817241E-02 Hb(Abramov) 0.1373854E-02 Ex_ueg -0.7042702E-03 Ec_ueg -0.1653105E-03 Delta_ex -0.1109310E-02 Delta_ec 0.6738964E-03 Delta_et -0.3761644E-02 Pxc 0.4260286E+01 Qxc -0.1646114E+01 3,+1 133 3 +3 1.106644 1.124655 1.100774 Rho 0.5111704E-02 |GRAD(Rho)| 0.4172469E-17 GRAD(Rho)x 0.2058972E-17 GRAD(Rho)y 0.1365798E-17 GRAD(Rho)z -0.3362251E-17 Laplacian 0.1978253E-01 (-1/4)Del**2(Rho)) -0.4945632E-02 Diamond 0.1427596E-03 Metallicity 0.5283733E+00 Ellipticity -0.8774715E-01 Gb(Abramov) 0.3732611E-02 Vb(Abramov) -0.2519591E-02 Hb(Abramov) 0.1213021E-02 Ex_ueg -0.6503383E-03 Ec_ueg -0.1517230E-03 Delta_ex -0.6880106E-03 Delta_ec 0.8773204E-04 Delta_et -0.6954734E-03 Pxc 0.4286352E+01 Qxc -0.7842181E+01 3,+3 134 3 -1 -0.064211 -3.160068 3.230657 Rho 0.2530770E+00 |GRAD(Rho)| 0.3667772E-15 GRAD(Rho)x -0.8988036E-16 GRAD(Rho)y 0.6353425E-16 GRAD(Rho)z 0.3498720E-15 Laplacian 0.9193663E+00 (-1/4)Del**2(Rho)) -0.2298416E+00 Diamond 0.3452395E+01 Metallicity 0.7589486E+01 Ellipticity 0.1308662E-02 Gb(Abramov) 0.4439576E+00 Vb(Abramov) -0.6580737E+00 Hb(Abramov) -0.2141160E+00 Ex_ueg -0.1182284E+00 Ec_ueg -0.1534777E-01 Delta_ex -0.1125653E+00 Delta_ec 0.1986800E-01 Delta_et -0.2750283E+00 Pxc 0.7703298E+01 Qxc -0.5665657E+01 3,-1 135 3 -1 0.076979 -3.167021 -3.240267 Rho 0.2424272E+00 |GRAD(Rho)| 0.1317323E-13 GRAD(Rho)x -0.2465218E-14 GRAD(Rho)y 0.9205202E-14 GRAD(Rho)z 0.9095101E-14 Laplacian 0.8618409E+00 (-1/4)Del**2(Rho)) -0.2154602E+00 Diamond 0.3103414E+01 Metallicity 0.7536246E+01 Ellipticity 0.9967151E-03 Gb(Abramov) 0.4142670E+00 Vb(Abramov) -0.6130738E+00 Hb(Abramov) -0.1988068E+00 Ex_ueg -0.1116418E+00 Ec_ueg -0.1460706E-01 Delta_ex -0.1044976E+00 Delta_ec 0.1915246E-01 Delta_et -0.2661448E+00 Pxc 0.7643003E+01 Qxc -0.5456094E+01 3,-1 136 3 -1 0.026365 -2.892642 0.038501 Rho 0.5428806E-02 |GRAD(Rho)| 0.1192514E-16 GRAD(Rho)x -0.1122243E-16 GRAD(Rho)y -0.2622817E-17 GRAD(Rho)z -0.3063831E-17 Laplacian 0.2178296E-01 (-1/4)Del**2(Rho)) -0.5445739E-02 Diamond 0.6459557E-03 Metallicity 0.5304814E+00 Ellipticity 0.3663781E+01 Gb(Abramov) 0.4111970E-02 Vb(Abramov) -0.2778201E-02 Hb(Abramov) 0.1333769E-02 Ex_ueg -0.7046782E-03 Ec_ueg -0.1654125E-03 Delta_ex -0.1165822E-02 Delta_ec 0.8026177E-03 Delta_et -0.4421136E-02 Pxc 0.4260127E+01 Qxc -0.1452525E+01 3,-1 137 3 -1 0.556577 -2.770450 -1.834327 Rho 0.1245455E+00 |GRAD(Rho)| 0.1143086E-13 GRAD(Rho)x -0.5455211E-14 GRAD(Rho)y 0.2346051E-14 GRAD(Rho)z -0.9767361E-14 Laplacian 0.5206438E+00 (-1/4)Del**2(Rho)) -0.1301609E+00 Diamond 0.8344125E+00 Metallicity 0.4111046E+01 Ellipticity 0.2741960E-02 Gb(Abramov) 0.1759569E+00 Vb(Abramov) -0.2217528E+00 Hb(Abramov) -0.4579595E-01 Ex_ueg -0.4593625E-01 Ec_ueg -0.6834573E-02 Delta_ex -0.5332405E-01 Delta_ec 0.1360355E-01 Delta_et -0.1755926E+00 Pxc 0.6721159E+01 Qxc -0.3919862E+01 3,-1 138 3 -1 0.574980 -1.798214 -2.796363 Rho 0.1441604E+00 |GRAD(Rho)| 0.3192978E-15 GRAD(Rho)x 0.2648841E-15 GRAD(Rho)y 0.1781615E-15 GRAD(Rho)z 0.6779652E-17 Laplacian 0.6076066E+00 (-1/4)Del**2(Rho)) -0.1519017E+00 Diamond 0.1151965E+01 Metallicity 0.4495041E+01 Ellipticity 0.2304454E-01 Gb(Abramov) 0.2150685E+00 Vb(Abramov) -0.2782353E+00 Hb(Abramov) -0.6316682E-01 Ex_ueg -0.5582724E-01 Ec_ueg -0.8070746E-02 Delta_ex -0.6438800E-01 Delta_ec 0.1515578E-01 Delta_et -0.1997171E+00 Pxc 0.6917234E+01 Qxc -0.4248413E+01 3,-1 139 3 +1 1.257742 1.187367 -2.181978 Rho 0.2939070E-01 |GRAD(Rho)| 0.2111448E-14 GRAD(Rho)x -0.1903277E-14 GRAD(Rho)y -0.2559487E-15 GRAD(Rho)z -0.8776332E-15 Laplacian 0.1207205E+00 (-1/4)Del**2(Rho)) -0.3018012E-01 Diamond 0.2125632E-01 Metallicity 0.1597774E+01 Ellipticity -0.7837762E+01 Gb(Abramov) 0.2815692E-01 Vb(Abramov) -0.2613371E-01 Hb(Abramov) 0.2023203E-02 Ex_ueg -0.6698820E-02 Ec_ueg -0.1312222E-02 Delta_ex -0.7975013E-02 Delta_ec 0.2286915E-02 Delta_et -0.2096503E-01 Pxc 0.5104945E+01 Qxc -0.3487236E+01 3,+1 140 3 -1 0.561807 1.797285 2.800782 Rho 0.1362118E+00 |GRAD(Rho)| 0.1741237E-12 GRAD(Rho)x 0.1187009E-12 GRAD(Rho)y -0.1254965E-12 GRAD(Rho)z 0.2190391E-13 Laplacian 0.5739955E+00 (-1/4)Del**2(Rho)) -0.1434989E+00 Diamond 0.1020045E+01 Metallicity 0.4329085E+01 Ellipticity 0.1895783E-01 Gb(Abramov) 0.1992024E+00 Vb(Abramov) -0.2549059E+00 Hb(Abramov) -0.5570352E-01 Ex_ueg -0.5176127E-01 Ec_ueg -0.7566804E-02 Delta_ex -0.6002648E-01 Delta_ec 0.1458946E-01 Delta_et -0.1908329E+00 Pxc 0.6840572E+01 Qxc -0.4114372E+01 3,-1 141 3 -1 -0.059553 3.167901 -3.231328 Rho 0.2527967E+00 |GRAD(Rho)| 0.9829173E-13 GRAD(Rho)x 0.1916167E-13 GRAD(Rho)y -0.6727073E-13 GRAD(Rho)z 0.6905609E-13 Laplacian 0.9215632E+00 (-1/4)Del**2(Rho)) -0.2303908E+00 Diamond 0.3453370E+01 Metallicity 0.7557421E+01 Ellipticity 0.1126869E-02 Gb(Abramov) 0.4437872E+00 Vb(Abramov) -0.6571837E+00 Hb(Abramov) -0.2133964E+00 Ex_ueg -0.1180539E+00 Ec_ueg -0.1532819E-01 Delta_ex -0.1127882E+00 Delta_ec 0.1989864E-01 Delta_et -0.2753354E+00 Pxc 0.7701747E+01 Qxc -0.5668137E+01 3,-1 142 3 -1 0.031857 2.897641 -0.022119 Rho 0.5397809E-02 |GRAD(Rho)| 0.7865153E-17 GRAD(Rho)x -0.7558147E-17 GRAD(Rho)y -0.6764499E-19 GRAD(Rho)z -0.2174965E-17 Laplacian 0.2163298E-01 (-1/4)Del**2(Rho)) -0.5408244E-02 Diamond 0.6466621E-03 Metallicity 0.5290858E+00 Ellipticity 0.2665025E+01 Gb(Abramov) 0.4082400E-02 Vb(Abramov) -0.2756556E-02 Hb(Abramov) 0.1325844E-02 Ex_ueg -0.6993186E-03 Ec_ueg -0.1640721E-03 Delta_ex -0.1165017E-02 Delta_ec 0.8121669E-03 Delta_et -0.4460785E-02 Pxc 0.4262264E+01 Qxc -0.1434456E+01 3,-1 143 3 -1 0.046609 3.160653 3.256515 Rho 0.2418538E+00 |GRAD(Rho)| 0.1089731E-15 GRAD(Rho)x 0.1431147E-16 GRAD(Rho)y -0.1076071E-15 GRAD(Rho)z -0.9540979E-17 Laplacian 0.8636367E+00 (-1/4)Del**2(Rho)) -0.2159092E+00 Diamond 0.3097662E+01 Metallicity 0.7490950E+01 Ellipticity 0.3978661E-03 Gb(Abramov) 0.4135002E+00 Vb(Abramov) -0.6110913E+00 Hb(Abramov) -0.1975911E+00 Ex_ueg -0.1112899E+00 Ec_ueg -0.1456735E-01 Delta_ex -0.1046329E+00 Delta_ec 0.1917418E-01 Delta_et -0.2662843E+00 Pxc 0.7639675E+01 Qxc -0.5456967E+01 3,-1 144 3 -1 0.463743 -0.462817 0.465648 Rho 0.1859731E+00 |GRAD(Rho)| 0.5494979E-14 GRAD(Rho)x 0.3573530E-14 GRAD(Rho)y -0.3483325E-14 GRAD(Rho)z 0.2300243E-14 Laplacian 0.5136596E+00 (-1/4)Del**2(Rho)) -0.1284149E+00 Diamond 0.1376963E+01 Metallicity 0.8128703E+01 Ellipticity 0.1190616E-03 Gb(Abramov) 0.2595844E+00 Vb(Abramov) -0.3907539E+00 Hb(Abramov) -0.1311695E+00 Ex_ueg -0.7840045E-01 Ec_ueg -0.1078486E-01 Delta_ex -0.5841881E-01 Delta_ec 0.1272508E-01 Delta_et -0.1750264E+00 Pxc 0.7269493E+01 Qxc -0.4590840E+01 3,-1 145 3 +1 1.653740 -0.530375 -0.538028 Rho 0.8898015E-02 |GRAD(Rho)| 0.2132007E-14 GRAD(Rho)x -0.1620061E-14 GRAD(Rho)y 0.1120850E-14 GRAD(Rho)z 0.8151999E-15 Laplacian 0.3484517E-01 (-1/4)Del**2(Rho)) -0.8711292E-02 Diamond 0.9720105E-03 Metallicity 0.7556010E+00 Ellipticity -0.1449836E+01 Gb(Abramov) 0.6904571E-02 Vb(Abramov) -0.5097851E-02 Hb(Abramov) 0.1806721E-02 Ex_ueg -0.1361787E-02 Ec_ueg -0.3183338E-03 Delta_ex -0.1603598E-02 Delta_ec 0.4866255E-03 Delta_et -0.3358268E-02 Pxc 0.4277860E+01 Qxc -0.3295343E+01 3,+1 146 3 +1 1.377591 2.166793 -1.083454 Rho 0.2770585E-01 |GRAD(Rho)| 0.7808107E-16 GRAD(Rho)x 0.2552052E-16 GRAD(Rho)y 0.7321295E-16 GRAD(Rho)z -0.9231486E-17 Laplacian 0.1112940E+00 (-1/4)Del**2(Rho)) -0.2782350E-01 Diamond 0.1650737E-01 Metallicity 0.1570702E+01 Ellipticity -0.3516034E+01 Gb(Abramov) 0.2583274E-01 Vb(Abramov) -0.2384198E-01 Hb(Abramov) 0.1990762E-02 Ex_ueg -0.6191753E-02 Ec_ueg -0.1225891E-02 Delta_ex -0.7090375E-02 Delta_ec 0.1844328E-02 Delta_et -0.1669793E-01 Pxc 0.5050818E+01 Qxc -0.3844421E+01 3,+1 147 3 -1 0.845494 -2.970763 2.007295 Rho 0.1391830E+00 |GRAD(Rho)| 0.7983155E-13 GRAD(Rho)x 0.2076015E-13 GRAD(Rho)y 0.5486618E-13 GRAD(Rho)z 0.5414605E-13 Laplacian 0.5484259E+00 (-1/4)Del**2(Rho)) -0.1371065E+00 Diamond 0.1019301E+01 Metallicity 0.4696836E+01 Ellipticity 0.3212400E-01 Gb(Abramov) 0.1987321E+00 Vb(Abramov) -0.2603577E+00 Hb(Abramov) -0.6162561E-01 Ex_ueg -0.5327211E-01 Ec_ueg -0.7754706E-02 Delta_ex -0.5786564E-01 Delta_ec 0.1424142E-01 Delta_et -0.1876702E+00 Pxc 0.6869649E+01 Qxc -0.4063194E+01 3,-1 148 3 +1 1.209085 -2.164272 1.237338 Rho 0.2906722E-01 |GRAD(Rho)| 0.3835228E-15 GRAD(Rho)x 0.7961455E-16 GRAD(Rho)y -0.3512102E-15 GRAD(Rho)z 0.1319191E-15 Laplacian 0.1194093E+00 (-1/4)Del**2(Rho)) -0.2985231E-01 Diamond 0.2098321E-01 Metallicity 0.1585797E+01 Ellipticity -0.9267476E+01 Gb(Abramov) 0.2779149E-01 Vb(Abramov) -0.2573067E-01 Hb(Abramov) 0.2060819E-02 Ex_ueg -0.6600695E-02 Ec_ueg -0.1295594E-02 Delta_ex -0.7889727E-02 Delta_ec 0.2305739E-02 Delta_et -0.2107518E-01 Pxc 0.5094724E+01 Qxc -0.3421778E+01 3,+1 149 3 +1 1.753185 1.756697 1.733096 Rho 0.1206384E-01 |GRAD(Rho)| 0.1347374E-16 GRAD(Rho)x 0.8817842E-17 GRAD(Rho)y -0.1003564E-16 GRAD(Rho)z 0.1753075E-17 Laplacian 0.6071882E-01 (-1/4)Del**2(Rho)) -0.1517970E-01 Diamond 0.2454343E-02 Metallicity 0.7201655E+00 Ellipticity -0.1251080E+01 Gb(Abramov) 0.1194179E-01 Vb(Abramov) -0.8703868E-02 Hb(Abramov) 0.3237918E-02 Ex_ueg -0.2043458E-02 Ec_ueg -0.4625168E-03 Delta_ex -0.2989800E-02 Delta_ec 0.7899544E-03 Delta_et -0.5929633E-02 Pxc 0.4418127E+01 Qxc -0.3784776E+01 3,+1 150 3 +1 2.158891 1.428706 -1.036644 Rho 0.2714329E-01 |GRAD(Rho)| 0.7413729E-16 GRAD(Rho)x -0.7023023E-16 GRAD(Rho)y -0.2219847E-16 GRAD(Rho)z 0.8442824E-17 Laplacian 0.1078505E+00 (-1/4)Del**2(Rho)) -0.2696262E-01 Diamond 0.1460544E-01 Metallicity 0.1566373E+01 Ellipticity -0.2748832E+01 Gb(Abramov) 0.2501400E-01 Vb(Abramov) -0.2306538E-01 Hb(Abramov) 0.1948620E-02 Ex_ueg -0.6024695E-02 Ec_ueg -0.1197219E-02 Delta_ex -0.6741103E-02 Delta_ec 0.1623018E-02 Delta_et -0.1465130E-01 Pxc 0.5032240E+01 Qxc -0.4153437E+01 3,+1 151 3 -1 0.859752 2.977321 -2.020225 Rho 0.1418960E+00 |GRAD(Rho)| 0.4930771E-15 GRAD(Rho)x 0.3649967E-15 GRAD(Rho)y 0.8685815E-16 GRAD(Rho)z 0.3199345E-15 Laplacian 0.5575360E+00 (-1/4)Del**2(Rho)) -0.1393840E+00 Diamond 0.1062294E+01 Metallicity 0.4771161E+01 Ellipticity 0.3657046E-01 Gb(Abramov) 0.2037599E+00 Vb(Abramov) -0.2681358E+00 Hb(Abramov) -0.6437591E-01 Ex_ueg -0.5466115E-01 Ec_ueg -0.7926779E-02 Delta_ex -0.5912274E-01 Delta_ec 0.1444365E-01 Delta_et -0.1909621E+00 Pxc 0.6895758E+01 Qxc -0.4093339E+01 3,-1 152 3 -1 1.742753 0.542010 -1.718396 Rho 0.4805699E-01 |GRAD(Rho)| 0.2878913E-12 GRAD(Rho)x 0.9505212E-13 GRAD(Rho)y 0.2568136E-12 GRAD(Rho)z -0.8884399E-13 Laplacian 0.1972096E+00 (-1/4)Del**2(Rho)) -0.4930240E-01 Diamond 0.9389451E-01 Metallicity 0.2219624E+01 Ellipticity 0.1327400E-01 Gb(Abramov) 0.5110707E-01 Vb(Abramov) -0.5291173E-01 Hb(Abramov) -0.1804664E-02 Ex_ueg -0.1290408E-01 Ec_ueg -0.2307756E-02 Delta_ex -0.1603403E-01 Delta_ec 0.5810276E-02 Delta_et -0.6061848E-01 Pxc 0.5591614E+01 Qxc -0.2759599E+01 3,-1 153 3 +1 2.891176 -0.141111 0.128249 Rho 0.5393300E-02 |GRAD(Rho)| 0.4768516E-17 GRAD(Rho)x -0.5828130E-18 GRAD(Rho)y -0.4598886E-17 GRAD(Rho)z 0.1117729E-17 Laplacian 0.2204995E-01 (-1/4)Del**2(Rho)) -0.5512487E-02 Diamond 0.5795239E-03 Metallicity 0.5183582E+00 Ellipticity -0.4489021E+01 Gb(Abramov) 0.4151232E-02 Vb(Abramov) -0.2789976E-02 Hb(Abramov) 0.1361255E-02 Ex_ueg -0.6985398E-03 Ec_ueg -0.1638772E-03 Delta_ex -0.1121094E-02 Delta_ec 0.7096323E-03 Delta_et -0.3936340E-02 Pxc 0.4262582E+01 Qxc -0.1579824E+01 3,+1 154 3 -1 0.860474 -1.956993 3.001034 Rho 0.1459431E+00 |GRAD(Rho)| 0.8745102E-15 GRAD(Rho)x -0.5551115E-15 GRAD(Rho)y -0.5469800E-15 GRAD(Rho)z -0.3967773E-15 Laplacian 0.5751931E+00 (-1/4)Del**2(Rho)) -0.1437983E+00 Diamond 0.1130884E+01 Metallicity 0.4846618E+01 Ellipticity 0.4039181E-01 Gb(Abramov) 0.2120214E+00 Vb(Abramov) -0.2802446E+00 Hb(Abramov) -0.6822314E-01 Ex_ueg -0.5674965E-01 Ec_ueg -0.8184323E-02 Delta_ex -0.6138732E-01 Delta_ec 0.1474897E-01 Delta_et -0.1957013E+00 Pxc 0.6933946E+01 Qxc -0.4162142E+01 3,-1 155 3 +1 2.896682 0.175484 -0.181420 Rho 0.5331343E-02 |GRAD(Rho)| 0.8939034E-15 GRAD(Rho)x -0.1367748E-15 GRAD(Rho)y 0.8819380E-15 GRAD(Rho)z 0.5041081E-16 Laplacian 0.2205934E-01 (-1/4)Del**2(Rho)) -0.5514835E-02 Diamond 0.5259068E-03 Metallicity 0.5082550E+00 Ellipticity -0.2368458E+01 Gb(Abramov) 0.4143714E-02 Vb(Abramov) -0.2772593E-02 Hb(Abramov) 0.1371121E-02 Ex_ueg -0.6878608E-03 Ec_ueg -0.1611996E-03 Delta_ex -0.1080772E-02 Delta_ec 0.6415609E-03 Delta_et -0.3573253E-02 Pxc 0.4267137E+01 Qxc -0.1684597E+01 3,+1 156 3 +3 1.087873 -1.118320 -1.115185 Rho 0.5176731E-02 |GRAD(Rho)| 0.1031831E-13 GRAD(Rho)x -0.2830402E-14 GRAD(Rho)y 0.9521847E-14 GRAD(Rho)z 0.2791184E-14 Laplacian 0.2015872E-01 (-1/4)Del**2(Rho)) -0.5039680E-02 Diamond 0.1476002E-03 Metallicity 0.5295531E+00 Ellipticity -0.4944723E-01 Gb(Abramov) 0.3804583E-02 Vb(Abramov) -0.2569486E-02 Hb(Abramov) 0.1235097E-02 Ex_ueg -0.6613924E-03 Ec_ueg -0.1545262E-03 Delta_ex -0.7031930E-03 Delta_ec 0.8874097E-04 Delta_et -0.7068759E-03 Pxc 0.4280132E+01 Qxc -0.7924108E+01 3,+3 157 3 -1 1.710203 -1.738898 0.526398 Rho 0.4667617E-01 |GRAD(Rho)| 0.1037976E-15 GRAD(Rho)x -0.5104898E-16 GRAD(Rho)y -0.2219184E-16 GRAD(Rho)z 0.8760968E-16 Laplacian 0.1903058E+00 (-1/4)Del**2(Rho)) -0.4757646E-01 Diamond 0.8687523E-01 Metallicity 0.2191054E+01 Ellipticity 0.1198744E-01 Gb(Abramov) 0.4909141E-01 Vb(Abramov) -0.5060636E-01 Hb(Abramov) -0.1514947E-02 Ex_ueg -0.1241210E-01 Ec_ueg -0.2231986E-02 Delta_ex -0.1534978E-01 Delta_ec 0.5590305E-02 Delta_et -0.5787485E-01 Pxc 0.5561014E+01 Qxc -0.2745786E+01 3,-1 158 3 +1 1.276893 -1.166268 2.164444 Rho 0.2908621E-01 |GRAD(Rho)| 0.2284108E-15 GRAD(Rho)x -0.8741559E-17 GRAD(Rho)y 0.2122766E-15 GRAD(Rho)z 0.8386733E-16 Laplacian 0.1191750E+00 (-1/4)Del**2(Rho)) -0.2979375E-01 Diamond 0.2075657E-01 Metallicity 0.1590645E+01 Ellipticity -0.8054301E+01 Gb(Abramov) 0.2776104E-01 Vb(Abramov) -0.2572834E-01 Hb(Abramov) 0.2032703E-02 Ex_ueg -0.6606447E-02 Ec_ueg -0.1296570E-02 Delta_ex -0.7857477E-02 Delta_ec 0.2268844E-02 Delta_et -0.2074461E-01 Pxc 0.5095326E+01 Qxc -0.3463207E+01 3,+1 159 3 -1 1.836159 0.563382 2.753373 Rho 0.1344546E+00 |GRAD(Rho)| 0.2476355E-15 GRAD(Rho)x 0.7876729E-16 GRAD(Rho)y -0.2322361E-15 GRAD(Rho)z -0.3443020E-16 Laplacian 0.5641791E+00 (-1/4)Del**2(Rho)) -0.1410448E+00 Diamond 0.1005403E+01 Metallicity 0.4310114E+01 Ellipticity 0.1152298E-01 Gb(Abramov) 0.1953497E+00 Vb(Abramov) -0.2496546E+00 Hb(Abramov) -0.5430492E-01 Ex_ueg -0.5087282E-01 Ec_ueg -0.7455938E-02 Delta_ex -0.5902479E-01 Delta_ec 0.1476246E-01 Delta_et -0.1934728E+00 Pxc 0.6823129E+01 Qxc -0.3998304E+01 3,-1 160 3 -1 1.710997 1.757697 -0.527662 Rho 0.4129901E-01 |GRAD(Rho)| 0.6971296E-16 GRAD(Rho)x 0.3029477E-16 GRAD(Rho)y 0.5547727E-16 GRAD(Rho)z 0.2940062E-16 Laplacian 0.1737554E+00 (-1/4)Del**2(Rho)) -0.4343884E-01 Diamond 0.6937074E-01 Metallicity 0.1956926E+01 Ellipticity 0.8984619E-02 Gb(Abramov) 0.4312699E-01 Vb(Abramov) -0.4281514E-01 Hb(Abramov) 0.3118494E-03 Ex_ueg -0.1054317E-01 Ec_ueg -0.1939885E-02 Delta_ex -0.1371528E-01 Delta_ec 0.5328265E-02 Delta_et -0.5343070E-01 Pxc 0.5434947E+01 Qxc -0.2574061E+01 3,-1 161 3 -1 1.963147 -3.001440 0.859349 Rho 0.1435726E+00 |GRAD(Rho)| 0.1931889E-15 GRAD(Rho)x 0.1078375E-15 GRAD(Rho)y 0.9454243E-16 GRAD(Rho)z -0.1294402E-15 Laplacian 0.5658965E+00 (-1/4)Del**2(Rho)) -0.1414741E+00 Diamond 0.1091316E+01 Metallicity 0.4793601E+01 Ellipticity 0.3795296E-01 Gb(Abramov) 0.2073445E+00 Vb(Abramov) -0.2732149E+00 Hb(Abramov) -0.6587038E-01 Ex_ueg -0.5552394E-01 Ec_ueg -0.8033343E-02 Delta_ex -0.6015788E-01 Delta_ec 0.1457624E-01 Delta_et -0.1929628E+00 Pxc 0.6911686E+01 Qxc -0.4127119E+01 3,-1 162 3 -1 1.779414 -2.798334 -0.569587 Rho 0.1490176E+00 |GRAD(Rho)| 0.3927068E-14 GRAD(Rho)x 0.2935803E-14 GRAD(Rho)y 0.4049156E-15 GRAD(Rho)z 0.2576620E-14 Laplacian 0.6248745E+00 (-1/4)Del**2(Rho)) -0.1562186E+00 Diamond 0.1252405E+01 Metallicity 0.4619019E+01 Ellipticity 0.1324994E-01 Gb(Abramov) 0.2244086E+00 Vb(Abramov) -0.2925985E+00 Hb(Abramov) -0.6818992E-01 Ex_ueg -0.5834924E-01 Ec_ueg -0.8380657E-02 Delta_ex -0.6695769E-01 Delta_ec 0.1580952E-01 Delta_et -0.2101010E+00 Pxc 0.6962371E+01 Qxc -0.4235276E+01 3,-1 163 3 +1 2.167272 -1.278676 1.168270 Rho 0.2895455E-01 |GRAD(Rho)| 0.3791013E-16 GRAD(Rho)x 0.2756975E-16 GRAD(Rho)y -0.2283177E-16 GRAD(Rho)z 0.1248188E-16 Laplacian 0.1184830E+00 (-1/4)Del**2(Rho)) -0.2962075E-01 Diamond 0.2049470E-01 Metallicity 0.1587883E+01 Ellipticity -0.7920374E+01 Gb(Abramov) 0.2758622E-01 Vb(Abramov) -0.2555168E-01 Hb(Abramov) 0.2034537E-02 Ex_ueg -0.6566604E-02 Ec_ueg -0.1289809E-02 Delta_ex -0.7801308E-02 Delta_ec 0.2253592E-02 Delta_et -0.2058217E-01 Pxc 0.5091145E+01 Qxc -0.3461722E+01 3,+1 164 3 -1 2.009998 -0.839774 2.971298 Rho 0.1362234E+00 |GRAD(Rho)| 0.1134690E-15 GRAD(Rho)x 0.1109003E-15 GRAD(Rho)y 0.2261917E-16 GRAD(Rho)z 0.8043425E-17 Laplacian 0.5366285E+00 (-1/4)Del**2(Rho)) -0.1341571E+00 Diamond 0.9718004E+00 Metallicity 0.4631185E+01 Ellipticity 0.2941149E-01 Gb(Abramov) 0.1929892E+00 Vb(Abramov) -0.2518212E+00 Hb(Abramov) -0.5883205E-01 Ex_ueg -0.5176711E-01 Ec_ueg -0.7567533E-02 Delta_ex -0.5632452E-01 Delta_ec 0.1400469E-01 Delta_et -0.1839332E+00 Pxc 0.6840685E+01 Qxc -0.4021832E+01 3,-1 165 3 -1 1.830070 -0.548985 -2.760974 Rho 0.1258483E+00 |GRAD(Rho)| 0.1175486E-13 GRAD(Rho)x 0.1017570E-13 GRAD(Rho)y 0.1114763E-14 GRAD(Rho)z -0.5778330E-14 Laplacian 0.5272080E+00 (-1/4)Del**2(Rho)) -0.1318020E+00 Diamond 0.8687263E+00 Metallicity 0.4130888E+01 Ellipticity 0.1468881E-01 Gb(Abramov) 0.1786112E+00 Vb(Abramov) -0.2254204E+00 Hb(Abramov) -0.4680921E-01 Ex_ueg -0.4657807E-01 Ec_ueg -0.6915895E-02 Delta_ex -0.5429742E-01 Delta_ec 0.1403675E-01 Delta_et -0.1820278E+00 Pxc 0.6734931E+01 Qxc -0.3868234E+01 3,-1 166 3 -1 1.745096 -0.529806 1.706495 Rho 0.4679318E-01 |GRAD(Rho)| 0.1085413E-12 GRAD(Rho)x 0.7403993E-13 GRAD(Rho)y 0.3685188E-13 GRAD(Rho)z 0.7029398E-13 Laplacian 0.1911101E+00 (-1/4)Del**2(Rho)) -0.4777753E-01 Diamond 0.8754713E-01 Metallicity 0.2190957E+01 Ellipticity 0.1231156E-01 Gb(Abramov) 0.4929810E-01 Vb(Abramov) -0.5081868E-01 Hb(Abramov) -0.1520574E-02 Ex_ueg -0.1245361E-01 Ec_ueg -0.2238395E-02 Delta_ex -0.1542470E-01 Delta_ec 0.5614434E-02 Delta_et -0.5816305E-01 Pxc 0.5563633E+01 Qxc -0.2747328E+01 3,-1 167 3 +3 2.318181 0.016283 -0.017479 Rho 0.4682314E-02 |GRAD(Rho)| 0.1895759E-15 GRAD(Rho)x -0.7894697E-16 GRAD(Rho)y -0.1243797E-15 GRAD(Rho)z 0.1193150E-15 Laplacian 0.1913368E-01 (-1/4)Del**2(Rho)) -0.4783419E-02 Diamond 0.1745238E-03 Metallicity 0.4719714E+00 Ellipticity -0.3086921E+00 Gb(Abramov) 0.3565219E-02 Vb(Abramov) -0.2347019E-02 Hb(Abramov) 0.1218200E-02 Ex_ueg -0.5785388E-03 Ec_ueg -0.1332672E-03 Delta_ex -0.7022410E-03 Delta_ec 0.1790877E-03 Delta_et -0.1125932E-02 Pxc 0.4341194E+01 Qxc -0.3921213E+01 3,+3 168 3 -1 2.786198 -0.563016 -1.787771 Rho 0.1424597E+00 |GRAD(Rho)| 0.3122678E-15 GRAD(Rho)x -0.1366434E-16 GRAD(Rho)y 0.1317712E-15 GRAD(Rho)z -0.2827735E-15 Laplacian 0.6015768E+00 (-1/4)Del**2(Rho)) -0.1503942E+00 Diamond 0.1145796E+01 Metallicity 0.4451184E+01 Ellipticity 0.1089928E-01 Gb(Abramov) 0.2118348E+00 Vb(Abramov) -0.2732755E+00 Hb(Abramov) -0.6144065E-01 Ex_ueg -0.5495086E-01 Ec_ueg -0.7962588E-02 Delta_ex -0.6379184E-01 Delta_ec 0.1545744E-01 Delta_et -0.2042491E+00 Pxc 0.6901131E+01 Qxc -0.4126933E+01 3,-1 169 3 -1 3.008007 -0.864919 1.962420 Rho 0.1474817E+00 |GRAD(Rho)| 0.1435302E-15 GRAD(Rho)x 0.1360809E-15 GRAD(Rho)y -0.1528725E-16 GRAD(Rho)z 0.4300217E-16 Laplacian 0.5816518E+00 (-1/4)Del**2(Rho)) -0.1454130E+00 Diamond 0.1157828E+01 Metallicity 0.4877308E+01 Ellipticity 0.4137644E-01 Gb(Abramov) 0.2151460E+00 Vb(Abramov) -0.2848789E+00 Hb(Abramov) -0.6973299E-01 Ex_ueg -0.5754875E-01 Ec_ueg -0.8282501E-02 Delta_ex -0.6223370E-01 Delta_ec 0.1487153E-01 Delta_et -0.1976151E+00 Pxc 0.6948233E+01 Qxc -0.4184754E+01 3,-1 170 3 -1 2.764044 1.837614 0.561305 Rho 0.1243864E+00 |GRAD(Rho)| 0.2795779E-15 GRAD(Rho)x 0.7849624E-16 GRAD(Rho)y -0.1805874E-15 GRAD(Rho)z 0.1984700E-15 Laplacian 0.5196677E+00 (-1/4)Del**2(Rho)) -0.1299169E+00 Diamond 0.8325322E+00 Metallicity 0.4110005E+01 Ellipticity 0.2631353E-02 Gb(Abramov) 0.1756045E+00 Vb(Abramov) -0.2212921E+00 Hb(Abramov) -0.4568757E-01 Ex_ueg -0.4585806E-01 Ec_ueg -0.6824654E-02 Delta_ex -0.5322003E-01 Delta_ec 0.1360414E-01 Delta_et -0.1756018E+00 Pxc 0.6719470E+01 Qxc -0.3912047E+01 3,-1 171 3 -1 2.968282 2.020160 -0.831760 Rho 0.1131918E+00 |GRAD(Rho)| 0.4631149E-15 GRAD(Rho)x -0.9086292E-16 GRAD(Rho)y 0.3208290E-15 GRAD(Rho)z 0.3213846E-15 Laplacian 0.4410828E+00 (-1/4)Del**2(Rho)) -0.1102707E+00 Diamond 0.6324341E+00 Metallicity 0.4137945E+01 Ellipticity 0.2660089E-01 Gb(Abramov) 0.1495628E+00 Vb(Abramov) -0.1888549E+00 Hb(Abramov) -0.3929212E-01 Ex_ueg -0.4043943E-01 Ec_ueg -0.6130871E-02 Delta_ex -0.4418845E-01 Delta_ec 0.1184533E-01 Delta_et -0.1504850E+00 Pxc 0.6596034E+01 Qxc -0.3730455E+01 3,-1 172 3 -1 3.164870 -3.235257 -0.069656 Rho 0.2530874E+00 |GRAD(Rho)| 0.6577310E-15 GRAD(Rho)x 0.3984443E-15 GRAD(Rho)y -0.5121771E-15 GRAD(Rho)z -0.1073631E-15 Laplacian 0.9184589E+00 (-1/4)Del**2(Rho)) -0.2296147E+00 Diamond 0.3450281E+01 Metallicity 0.7597505E+01 Ellipticity 0.1437941E-02 Gb(Abramov) 0.4438263E+00 Vb(Abramov) -0.6580380E+00 Hb(Abramov) -0.2142116E+00 Ex_ueg -0.1182349E+00 Ec_ueg -0.1534850E-01 Delta_ex -0.1124610E+00 Delta_ec 0.1985808E-01 Delta_et -0.2749383E+00 Pxc 0.7703356E+01 Qxc -0.5663235E+01 3,-1 173 3 -1 2.973354 -2.011080 0.841663 Rho 0.1351688E+00 |GRAD(Rho)| 0.2953798E-15 GRAD(Rho)x -0.6300570E-16 GRAD(Rho)y -0.2883029E-15 GRAD(Rho)z 0.1268517E-16 Laplacian 0.5330846E+00 (-1/4)Del**2(Rho)) -0.1332711E+00 Diamond 0.9565581E+00 Metallicity 0.4601977E+01 Ellipticity 0.2826452E-01 Gb(Abramov) 0.1910659E+00 Vb(Abramov) -0.2488606E+00 Hb(Abramov) -0.5779473E-01 Ex_ueg -0.5123345E-01 Ec_ueg -0.7500973E-02 Delta_ex -0.5584898E-01 Delta_ec 0.1394130E-01 Delta_et -0.1828838E+00 Pxc 0.6830240E+01 Qxc -0.4006008E+01 3,-1 174 3 -1 3.157973 3.244735 0.081322 Rho 0.2419970E+00 |GRAD(Rho)| 0.2709849E-10 GRAD(Rho)x 0.1895180E-10 GRAD(Rho)y 0.1877429E-10 GRAD(Rho)z 0.4762744E-11 Laplacian 0.8598845E+00 (-1/4)Del**2(Rho)) -0.2149711E+00 Diamond 0.3090404E+01 Metallicity 0.7531065E+01 Ellipticity 0.2656537E-02 Gb(Abramov) 0.4131410E+00 Vb(Abramov) -0.6113109E+00 Hb(Abramov) -0.1981699E+00 Ex_ueg -0.1113777E+00 Ec_ueg -0.1457727E-01 Delta_ex -0.1042155E+00 Delta_ec 0.1912513E-01 Delta_et -0.2657753E+00 Pxc 0.7640507E+01 Qxc -0.5449136E+01 3,-1 175 3 -1 -3.157938 3.226982 -0.056828 Rho 0.2523123E+00 |GRAD(Rho)| 0.4898943E-15 GRAD(Rho)x -0.3361027E-16 GRAD(Rho)y -0.4740132E-15 GRAD(Rho)z 0.1190725E-15 Laplacian 0.9225810E+00 (-1/4)Del**2(Rho)) -0.2306452E+00 Diamond 0.3447906E+01 Metallicity 0.7524991E+01 Ellipticity 0.1266477E-02 Gb(Abramov) 0.4430307E+00 Vb(Abramov) -0.6554162E+00 Hb(Abramov) -0.2123855E+00 Ex_ueg -0.1177523E+00 Ec_ueg -0.1529437E-01 Delta_ex -0.1128493E+00 Delta_ec 0.1992070E-01 Delta_et -0.2755771E+00 Pxc 0.7699063E+01 Qxc -0.5664928E+01 3,-1 176 3 -1 -2.010913 -0.856031 -2.973756 Rho 0.1377335E+00 |GRAD(Rho)| 0.6353407E-15 GRAD(Rho)x -0.2157427E-15 GRAD(Rho)y 0.5003729E-15 GRAD(Rho)z 0.3267108E-15 Laplacian 0.5400635E+00 (-1/4)Del**2(Rho)) -0.1350159E+00 Diamond 0.9935814E+00 Metallicity 0.4687064E+01 Ellipticity 0.3200561E-01 Gb(Abramov) 0.1954819E+00 Vb(Abramov) -0.2559480E+00 Hb(Abramov) -0.6046605E-01 Ex_ueg -0.5253367E-01 Ec_ueg -0.7662965E-02 Delta_ex -0.5686499E-01 Delta_ec 0.1410708E-01 Delta_et -0.1856968E+00 Pxc 0.6855527E+01 Qxc -0.4030955E+01 3,-1 177 3 -1 2.896159 -0.048576 0.037122 Rho 0.5399752E-02 |GRAD(Rho)| 0.1095172E-16 GRAD(Rho)x 0.6959704E-18 GRAD(Rho)y -0.4853990E-17 GRAD(Rho)z -0.9792579E-17 Laplacian 0.2170417E-01 (-1/4)Del**2(Rho)) -0.5426042E-02 Diamond 0.6365858E-03 Metallicity 0.5276667E+00 Ellipticity 0.4312942E+01 Gb(Abramov) 0.4094552E-02 Vb(Abramov) -0.2763061E-02 Hb(Abramov) 0.1331491E-02 Ex_ueg -0.6996542E-03 Ec_ueg -0.1641561E-03 Delta_ex -0.1158437E-02 Delta_ec 0.7961089E-03 Delta_et -0.4379360E-02 Pxc 0.4262127E+01 Qxc -0.1455124E+01 3,-1 178 3 -1 1.792321 2.803356 0.576879 Rho 0.1521878E+00 |GRAD(Rho)| 0.2272876E-13 GRAD(Rho)x 0.1742825E-13 GRAD(Rho)y -0.2679450E-14 GRAD(Rho)z -0.1434131E-13 Laplacian 0.6366031E+00 (-1/4)Del**2(Rho)) -0.1591508E+00 Diamond 0.1284917E+01 Metallicity 0.4695811E+01 Ellipticity 0.2890225E-01 Gb(Abramov) 0.2306575E+00 Vb(Abramov) -0.3021643E+00 Hb(Abramov) -0.7150674E-01 Ex_ueg -0.6001015E-01 Ec_ueg -0.8583709E-02 Delta_ex -0.6833764E-01 Delta_ec 0.1560916E-01 Delta_et -0.2070619E+00 Pxc 0.6991167E+01 Qxc -0.4378047E+01 3,-1 179 3 -1 2.008453 0.850185 -2.983661 Rho 0.1391244E+00 |GRAD(Rho)| 0.3345513E-15 GRAD(Rho)x 0.4788108E-16 GRAD(Rho)y -0.3283100E-15 GRAD(Rho)z -0.4294796E-16 Laplacian 0.5464600E+00 (-1/4)Del**2(Rho)) -0.1366150E+00 Diamond 0.1016607E+01 Metallicity 0.4710429E+01 Ellipticity 0.3149137E-01 Gb(Abramov) 0.1983292E+00 Vb(Abramov) -0.2600434E+00 Hb(Abramov) -0.6171420E-01 Ex_ueg -0.5324223E-01 Ec_ueg -0.7750997E-02 Delta_ex -0.5766854E-01 Delta_ec 0.1422079E-01 Delta_et -0.1874458E+00 Pxc 0.6869081E+01 Qxc -0.4055227E+01 3,-1 180 3 -1 1.977317 3.008839 -0.858212 Rho 0.1315142E+00 |GRAD(Rho)| 0.4039996E-15 GRAD(Rho)x 0.2739711E-15 GRAD(Rho)y 0.2958449E-15 GRAD(Rho)z 0.2512639E-16 Laplacian 0.5134258E+00 (-1/4)Del**2(Rho)) -0.1283565E+00 Diamond 0.8816690E+00 Metallicity 0.4564815E+01 Ellipticity 0.4863683E-01 Gb(Abramov) 0.1832249E+00 Vb(Abramov) -0.2380933E+00 Hb(Abramov) -0.5486843E-01 Ex_ueg -0.4939488E-01 Ec_ueg -0.7270879E-02 Delta_ex -0.5331832E-01 Delta_ec 0.1330874E-01 Delta_et -0.1734335E+00 Pxc 0.6793522E+01 Qxc -0.4006264E+01 3,-1 181 3 -1 2.753080 -1.828121 -0.564229 Rho 0.1388760E+00 |GRAD(Rho)| 0.2755344E-15 GRAD(Rho)x 0.9957042E-16 GRAD(Rho)y 0.1863472E-15 GRAD(Rho)z -0.1768605E-15 Laplacian 0.5858588E+00 (-1/4)Del**2(Rho)) -0.1464647E+00 Diamond 0.1084352E+01 Metallicity 0.4380586E+01 Ellipticity 0.7891524E-02 Gb(Abramov) 0.2045767E+00 Vb(Abramov) -0.2626886E+00 Hb(Abramov) -0.5811198E-01 Ex_ueg -0.5311551E-01 Ec_ueg -0.7735266E-02 Delta_ex -0.6176403E-01 Delta_ec 0.1518936E-01 Delta_et -0.2000282E+00 Pxc 0.6866668E+01 Qxc -0.4066270E+01 3,-1 182 3 -1 2.800589 0.566746 1.778617 Rho 0.1489282E+00 |GRAD(Rho)| 0.1203216E-14 GRAD(Rho)x -0.1049440E-15 GRAD(Rho)y -0.9329695E-15 GRAD(Rho)z 0.7525176E-15 Laplacian 0.6247555E+00 (-1/4)Del**2(Rho)) -0.1561889E+00 Diamond 0.1251454E+01 Metallicity 0.4615277E+01 Ellipticity 0.1410159E-01 Gb(Abramov) 0.2242684E+00 Vb(Abramov) -0.2923479E+00 Hb(Abramov) -0.6807953E-01 Ex_ueg -0.5830254E-01 Ec_ueg -0.8374936E-02 Delta_ex -0.6693698E-01 Delta_ec 0.1581230E-01 Delta_et -0.2101282E+00 Pxc 0.6961551E+01 Qxc -0.4233221E+01 3,-1 183 3 -1 3.014103 0.870623 -1.971212 Rho 0.1593612E+00 |GRAD(Rho)| 0.6856712E-09 GRAD(Rho)x 0.2855947E-09 GRAD(Rho)y 0.5007005E-09 GRAD(Rho)z 0.3713216E-09 Laplacian 0.6258396E+00 (-1/4)Del**2(Rho)) -0.1564599E+00 Diamond 0.1365338E+01 Metallicity 0.5157682E+01 Ellipticity 0.5393458E-01 Gb(Abramov) 0.2388016E+00 Vb(Abramov) -0.3211434E+00 Hb(Abramov) -0.8234176E-01 Ex_ueg -0.6381095E-01 Ec_ueg -0.9045435E-02 Delta_ex -0.6823408E-01 Delta_ec 0.1566326E-01 Delta_et -0.2102637E+00 Pxc 0.7054493E+01 Qxc -0.4356315E+01 3,-1 184 3 -1 3.240912 -0.047719 -3.167639 Rho 0.2524601E+00 |GRAD(Rho)| 0.4688943E-15 GRAD(Rho)x -0.4509197E-15 GRAD(Rho)y -0.1577514E-16 GRAD(Rho)z 0.1276106E-15 Laplacian 0.9197498E+00 (-1/4)Del**2(Rho)) -0.2299375E+00 Diamond 0.3442609E+01 Metallicity 0.7555525E+01 Ellipticity 0.1636207E-02 Gb(Abramov) 0.4428413E+00 Vb(Abramov) -0.6557452E+00 Hb(Abramov) -0.2129039E+00 Ex_ueg -0.1178443E+00 Ec_ueg -0.1530469E-01 Delta_ex -0.1125346E+00 Delta_ec 0.1988142E-01 Delta_et -0.2751569E+00 Pxc 0.7699882E+01 Qxc -0.5660289E+01 3,-1 185 3 -1 3.242583 0.061632 3.161776 Rho 0.2528761E+00 |GRAD(Rho)| 0.2060603E-15 GRAD(Rho)x 0.1804112E-15 GRAD(Rho)y -0.3249896E-16 GRAD(Rho)z -0.9410875E-16 Laplacian 0.9181757E+00 (-1/4)Del**2(Rho)) -0.2295439E+00 Diamond 0.3445767E+01 Metallicity 0.7589276E+01 Ellipticity 0.1569134E-02 Gb(Abramov) 0.4433747E+00 Vb(Abramov) -0.6572054E+00 Hb(Abramov) -0.2138307E+00 Ex_ueg -0.1181033E+00 Ec_ueg -0.1533374E-01 Delta_ex -0.1124017E+00 Delta_ec 0.1985718E-01 Delta_et -0.2749227E+00 Pxc 0.7702187E+01 Qxc -0.5660507E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 113 126 116 154 147 134 100 138 137 104 114 135 117 120 123 122 151 141 118 140 129 119 108 143 157 181 162 173 161 172 160 170 178 171 180 174 68 85 98 67 99 175 77 87 96 86 95 62 58 81 57 69 176 76 89 71 60 64 91 59 166 182 159 169 164 185 152 168 165 183 179 184 144 128 112 130 70 177 93 110 142 136 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 17 18 21 22 25 26 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 19 20 23 24 27 28 2.391422 1.927425 1.947764 1.934353 1.953304 1.723800 2.422642 1.902931 1.962325 1.942663 2.000587 1.713097 2.377755 1.936536 1.941736 1.940044 1.946377 1.724145 2.409267 1.925005 2.016083 1.894968 1.975294 1.713866 2.396521 1.941909 1.914824 1.964901 1.940828 1.723796 2.427562 1.962800 1.882454 2.014238 1.952521 1.713806 2.366462 1.951411 1.930700 1.957204 1.928773 1.724819 2.379384 1.983700 1.928648 1.949464 1.905471 1.724389 2.377649 1.925773 1.937127 1.946087 1.958541 1.724282 2.415353 1.897925 1.949189 1.945426 2.019125 1.713350 2.395157 1.914854 1.955291 1.930056 1.961932 1.724092 2.382523 1.931270 1.981650 1.900316 1.953667 1.724631 1.697863 1.695611 1.694694 1.691308 3.253799 3.264540 3.257816 3.266912 3.260209 3.262137 2.393139 1.927896 1.948137 1.935042 1.953976 1.723804 2.424183 1.903468 1.962837 1.943507 2.001531 1.713109 2.379487 1.936950 1.942131 1.940740 1.947038 1.724150 2.411170 1.925566 2.016715 1.895680 1.976149 1.713880 2.398255 1.942280 1.915297 1.965583 1.941520 1.723802 2.429100 1.963284 1.883020 2.015169 1.953365 1.713819 2.368226 1.951806 1.931115 1.957860 1.929460 1.724824 2.381170 1.984097 1.929072 1.950136 1.906083 1.724393 2.379362 1.926187 1.937527 1.946785 1.959205 1.724287 2.416955 1.898449 1.949686 1.946288 2.019918 1.713365 2.396895 1.915335 1.955693 1.930728 1.962613 1.724098 2.384325 1.931697 1.982047 1.900925 1.954339 1.724636 1.697865 1.695615 1.694698 1.691312 3.262944 3.275811 3.266888 3.280493 3.269636 3.272446 30 28 27 28 26 21 30 29 27 27 27 23 30 27 27 27 28 22 31 28 27 26 28 22 30 27 27 29 26 26 29 29 28 28 27 24 30 27 29 28 28 22 30 26 27 27 26 23 30 27 27 28 27 23 31 26 25 26 28 23 31 28 28 27 27 24 30 27 25 29 28 23 24 24 25 24 35 35 35 35 35 35 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 W Mo W Mo W Mo W W W Mo 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 O As 2.5257 2.4023 2.5161 2.3849 2.5264 2.4035 2.5020 2.5102 2.5180 2.3903 2.5197 2.5075 -1.1427 -1.1391 -1.1389 -1.1357 -0.9103 -0.9493 -0.9509 -0.9198 -0.9122 -0.9154 -0.9505 -0.9203 -0.9501 -0.9497 -0.8904 -0.9205 -0.9458 -0.9415 -0.9111 -0.9049 -0.9446 -0.9415 -0.8751 -0.9068 -0.9103 -0.9070 -0.9455 -0.9088 -0.7349 -0.6559 -0.7349 -0.6564 -0.7355 -0.6589 -0.7352 -0.7349 -0.7356 -0.6555 -0.7354 -0.7362 2.5412 2.0792 1.9422 2.0822 1.9269 2.0785 1.9361 2.0861 2.0805 2.0823 1.9318 2.0785 2.0824 1.9355 1.9363 1.9367 1.9383 1.9413 1.9347 1.9347 1.9389 1.9407 1.9398 1.9345 1.9387 1.9345 1.9347 1.9452 1.9383 1.9478 1.9490 1.9500 1.9524 1.9478 1.9488 1.9540 1.9508 1.9500 1.9513 1.9477 1.9504 1.9749 1.9869 1.9749 1.9862 1.9750 1.9865 1.9750 1.9748 1.9750 1.9868 1.9747 1.9747 0.8008 6.0770 6.0472 6.0833 6.0569 6.0771 6.0461 6.0880 6.0823 6.0832 6.0588 6.0768 6.0829 5.1673 5.1629 5.1623 5.1574 4.9408 4.9845 4.9862 4.9525 4.9435 4.9476 4.9859 4.9534 4.9853 4.9850 4.9188 4.9538 4.9652 4.9597 4.9304 4.9220 4.9641 4.9597 4.8923 4.9256 4.9294 4.9251 4.9650 4.9277 4.7217 4.6326 4.7215 4.6338 4.7220 4.6360 4.7218 4.7217 4.7221 4.6322 4.7223 4.7232 1.1104 3.2893 3.6083 3.2895 3.6313 3.2891 3.6143 3.2950 3.2982 3.2876 3.6191 3.2962 3.2983 0.0399 0.0398 0.0398 0.0399 0.0283 0.0302 0.0301 0.0285 0.0280 0.0279 0.0302 0.0283 0.0302 0.0300 0.0265 0.0284 0.0328 0.0328 0.0306 0.0305 0.0327 0.0329 0.0288 0.0305 0.0309 0.0306 0.0328 0.0307 0.0384 0.0364 0.0384 0.0364 0.0384 0.0363 0.0383 0.0384 0.0384 0.0364 0.0384 0.0383 10.5476 14.0289 0.0000 14.0289 0.0000 14.0289 0.0000 14.0289 14.0288 14.0289 0.0000 14.0288 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 W Mo W Mo W Mo W W W Mo 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 O As 2.522723 3.180049 2.523753 3.179143 2.522349 3.177378 2.522925 2.521451 2.522879 3.179675 2.520873 2.521072 -1.101043 -1.138281 -1.136962 -1.175502 -1.059662 -0.938797 -0.942297 -1.046887 -1.060246 -1.054828 -0.941601 -1.052292 -0.941121 -0.939032 -1.157624 -1.048428 -0.910347 -0.907306 -1.002394 -1.015860 -0.910052 -0.907571 -1.117978 -1.019533 -1.004295 -1.008514 -0.910357 -1.018487 -0.758485 -0.921971 -0.757845 -0.921217 -0.758723 -0.924184 -0.757843 -0.757763 -0.758410 -0.920411 -0.758823 -0.759327 2.328029 1.953630 2.373685 1.952095 2.384598 1.953878 2.378265 1.955840 1.959683 1.951327 2.378339 1.960048 1.959176 -0.774042 -0.820734 -0.821923 -0.875005 -0.811436 -0.701465 -0.704270 -0.804043 -0.812485 -0.805367 -0.702065 -0.803344 -0.701503 -0.702396 -0.908591 -0.805705 -0.737323 -0.732843 -0.824402 -0.819979 -0.734784 -0.734060 -0.905947 -0.824486 -0.823323 -0.816125 -0.736608 -0.819987 -0.639865 -0.677582 -0.637512 -0.669218 -0.639866 -0.677268 -0.632935 -0.633457 -0.638161 -0.670937 -0.636989 -0.635561 1.693030 2.049347 2.453064 2.047269 2.462808 2.050311 2.456911 2.050158 2.054547 2.046764 2.455960 2.056698 2.054175 -0.821684 -0.854029 -0.854613 -0.892102 -0.885800 -0.783929 -0.784345 -0.880281 -0.887637 -0.888485 -0.782122 -0.879357 -0.781192 -0.785815 -0.978425 -0.879799 -0.768021 -0.768491 -0.857432 -0.863992 -0.763911 -0.768734 -0.937893 -0.861774 -0.855436 -0.851844 -0.768424 -0.856819 -0.608828 -0.639300 -0.602082 -0.629732 -0.608405 -0.639402 -0.594548 -0.599222 -0.602666 -0.628554 -0.605542 -0.601696 1.664349 -0.18132499 0.70238011 1.05328154 1.27891305 -2.90190732 3.63227776 -3.61525546 1.00647681 7.52181753 1.89543051 -393.3847 414.1726 -92.7886 -371.2871 -10.3044 -453.5921 Jun10-2024 15:28:08 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:28:59 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.59532500 -16.66135432 -16.66535746 -16.66714050 -16.66770496 -16.66841058 -16.66856382 -16.66873001 -16.66882960 -16.66898916 -16.66906021 -16.66911603 -16.66917013 -16.66920328 GEOMETRY CONVERGED