ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:18:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.09 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 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:18:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.03 0.03 1.33 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 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 Jun12-2024 09:18:49 Nodes: 1 Procs: 1 Jun12-2024 09:18:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:18:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.58 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 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 Jun12-2024 09:18:49 Nodes: 1 Procs: 1 Jun12-2024 09:18:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 09:18:52 Nodes: 1 Procs: 1 Jun12-2024 09:18:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:18:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.09 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 Jun12-2024 09:18:49 Nodes: 1 Procs: 1 Jun12-2024 09:18:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 09:18:52 Nodes: 1 Procs: 1 Jun12-2024 09:18:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:18:56 Nodes: 1 Procs: 1 Jun12-2024 09:18:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:18:59 Hydrogen (TZP) c11-54 c11-54 c11-54 c11-54 c11-54 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.36 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 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 Jun12-2024 09:18:49 Nodes: 1 Procs: 1 Jun12-2024 09:18:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 09:18:52 Nodes: 1 Procs: 1 Jun12-2024 09:18:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:18:56 Nodes: 1 Procs: 1 Jun12-2024 09:18:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 09:18:59 Nodes: 1 Procs: 1 Jun12-2024 09:19:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 09:19:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2017.938199999997 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217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.245 -6.212 -6.186 -6.138 -6.114 -6.069 -6.053 -5.981 -5.832 -5.813 -3.421 -3.269 -3.058 -3.008 -2.981 -2.872 -2.813 -2.698 -2.686 -2.576 A A A A A A A A A A A A A A A A A A A A 0.00000000082144 0.00038207906536 0.00020654689703 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 42 42 42 42 42 42 42 42 33 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 0.058290 -2.623262 2.528121 -0.029435 2.639105 2.461247 2.704353 2.503149 -0.140935 -2.618906 2.440991 0.083864 -2.684093 -2.492580 -0.128718 -2.458418 -0.263411 -2.759782 -2.485034 0.163073 2.674215 2.515064 -0.170965 2.604425 -0.084071 -0.077618 -0.075567 0.128401 2.539641 -2.470363 2.434314 -2.604006 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0.213298 -3.807175 3.685644 -0.187601 -3.950044 -3.615773 0.252449 -3.827330 0.363510 -3.648031 -3.712488 -0.223736 3.838881 3.685719 0.214413 3.827126 -0.626473 -3.441595 -1.211950 1 3 -3 0.058290 -2.623262 2.528121 Rho 0.1240649E+06 3,-3 2 3 -3 -0.029435 2.639105 2.461247 Rho 0.1240649E+06 3,-3 3 3 -3 2.704353 2.503149 -0.140935 Rho 0.1240649E+06 3,-3 4 3 -3 -2.618906 2.440991 0.083864 Rho 0.1240649E+06 3,-3 5 3 -3 -2.684093 -2.492580 -0.128718 Rho 0.1240649E+06 3,-3 6 3 -3 -2.458418 -0.263411 -2.759782 Rho 0.1240648E+06 3,-3 7 3 -3 -2.485034 0.163073 2.674215 Rho 0.1240649E+06 3,-3 8 3 -3 2.515064 -0.170965 2.604425 Rho 0.1240650E+06 3,-3 9 3 -3 -0.084071 -0.077618 -0.075567 Rho 0.4276087E+05 3,-3 10 3 -3 0.128401 2.539641 -2.470363 Rho 0.4361414E+07 3,-3 11 3 -3 2.434314 -2.604006 0.009462 Rho 0.4361414E+07 3,-3 12 3 -3 2.444609 -0.028588 -2.674692 Rho 0.4361415E+07 3,-3 13 3 -3 0.914566 -1.064153 0.908871 Rho 0.3190215E+03 3,-3 14 3 -3 -1.073784 -1.030346 -1.062848 Rho 0.3190942E+03 3,-3 15 3 -3 0.967822 0.892254 -1.033577 Rho 0.3190207E+03 3,-3 16 3 -3 -0.963047 0.961780 0.964985 Rho 0.3190430E+03 3,-3 17 3 -3 -2.966598 -1.148018 1.149959 Rho 0.3190406E+03 3,-3 18 3 -3 2.944008 -1.152210 -1.161133 Rho 0.3188102E+03 3,-3 19 3 -3 -3.033004 1.140488 -1.090354 Rho 0.3191952E+03 3,-3 20 3 -3 2.996899 1.220711 1.204521 Rho 0.3190016E+03 3,-3 21 3 -3 1.322271 -1.170690 -3.370279 Rho 0.3193393E+03 3,-3 22 3 -3 1.093260 1.163796 2.969812 Rho 0.3190059E+03 3,-3 23 3 -3 -1.132085 1.137836 -2.985576 Rho 0.3188937E+03 3,-3 24 3 -3 -1.151032 -1.163621 3.060220 Rho 0.3190014E+03 3,-3 25 3 -3 -1.139564 2.994600 -1.097751 Rho 0.3189233E+03 3,-3 26 3 -3 -1.190925 -3.049923 1.228158 Rho 0.3190731E+03 3,-3 27 3 -3 1.179219 3.117692 1.155770 Rho 0.3190739E+03 3,-3 28 3 -3 1.195522 -3.289308 -1.051868 Rho 0.3192383E+03 3,-3 29 3 -3 3.381289 -1.433081 1.554844 Rho 0.3191196E+03 3,-3 30 3 -3 -3.469419 -1.581949 -1.602850 Rho 0.3190532E+03 3,-3 31 3 -3 3.481994 1.560973 -1.491356 Rho 0.3191712E+03 3,-3 32 3 -3 -3.444918 1.466782 1.586481 Rho 0.3190652E+03 3,-3 33 3 -3 1.455305 -1.478731 3.472583 Rho 0.3190848E+03 3,-3 34 3 -3 1.536145 1.564085 -3.401361 Rho 0.3189288E+03 3,-3 35 3 -3 -1.522879 1.519137 3.488588 Rho 0.3191414E+03 3,-3 36 3 -3 -1.806008 -1.449222 -3.856089 Rho 0.3194338E+03 3,-3 37 3 -3 -1.597163 -3.677817 -1.241206 Rho 0.3187995E+03 3,-3 38 3 -3 -1.544132 3.376386 1.568116 Rho 0.3190925E+03 3,-3 39 3 -3 1.566553 -3.409757 1.626480 Rho 0.3190175E+03 3,-3 40 3 -3 1.514141 3.414689 -1.456666 Rho 0.3189936E+03 3,-3 41 3 -3 -0.230196 -3.788932 3.779980 Rho 0.3194320E+03 3,-3 42 3 -3 3.845599 -0.146955 -3.725650 Rho 0.3192456E+03 3,-3 43 3 -3 -0.207571 3.764734 -3.664249 Rho 0.3193047E+03 3,-3 44 3 -3 0.244228 3.796540 3.730719 Rho 0.3194058E+03 3,-3 45 3 -3 3.795868 -3.696361 -0.158426 Rho 0.3192567E+03 3,-3 46 3 -3 3.858857 3.751299 0.213298 Rho 0.3194149E+03 3,-3 47 3 -3 -3.807175 3.685644 -0.187601 Rho 0.3194011E+03 3,-3 48 3 -3 -3.950044 -3.615773 0.252449 Rho 0.3194363E+03 3,-3 49 3 -3 -3.827330 0.363510 -3.648031 Rho 0.3193885E+03 3,-3 50 3 -3 -3.712488 -0.223736 3.838881 Rho 0.3194277E+03 3,-3 51 3 -3 3.685719 0.214413 3.827126 Rho 0.3194195E+03 3,-3 52 3 -3 -0.626473 -3.441595 -1.211950 Rho 0.4386893E+00 3,-3 53 3 +1 1.457946 -2.076663 -2.063600 Rho 0.6037990E-02 |GRAD(Rho)| 0.4728987E-17 GRAD(Rho)x 0.8346634E-19 GRAD(Rho)y 0.3263375E-17 GRAD(Rho)z -0.3421510E-17 Laplacian 0.2588407E-01 (-1/4)Del**2(Rho)) -0.6471017E-02 Diamond 0.8441392E-03 Metallicity 0.5330091E+00 Ellipticity -0.4940145E+01 Gb(Abramov) 0.4888863E-02 Vb(Abramov) -0.3306710E-02 Hb(Abramov) 0.1582154E-02 Ex_ueg -0.8120354E-03 Ec_ueg -0.1918517E-03 Delta_ex -0.1383106E-02 Delta_ec 0.9003851E-03 Delta_et -0.5140662E-02 Pxc 0.4232621E+01 Qxc -0.1536127E+01 3,+1 54 3 +1 -0.577627 0.481350 -1.680278 Rho 0.9756836E-02 |GRAD(Rho)| 0.5420803E-13 GRAD(Rho)x 0.2654052E-13 GRAD(Rho)y -0.2749311E-13 GRAD(Rho)z 0.3844789E-13 Laplacian 0.3798392E-01 (-1/4)Del**2(Rho)) -0.9495980E-02 Diamond 0.1224190E-02 Metallicity 0.8082178E+00 Ellipticity -0.1521519E+01 Gb(Abramov) 0.7609790E-02 Vb(Abramov) -0.5723600E-02 Hb(Abramov) 0.1886190E-02 Ex_ueg -0.1539798E-02 Ec_ueg -0.3570329E-03 Delta_ex -0.1798283E-02 Delta_ec 0.5458667E-03 Delta_et -0.3844651E-02 Pxc 0.4312762E+01 Qxc -0.3294363E+01 3,+1 55 3 -1 -3.359877 -3.092871 0.073569 Rho 0.2284049E+00 |GRAD(Rho)| 0.7744217E-15 GRAD(Rho)x -0.5703988E-15 GRAD(Rho)y -0.5027445E-15 GRAD(Rho)z 0.1470449E-15 Laplacian 0.8442218E+00 (-1/4)Del**2(Rho)) -0.2110554E+00 Diamond 0.2811240E+01 Metallicity 0.6966249E+01 Ellipticity 0.4212820E-02 Gb(Abramov) 0.3857477E+00 Vb(Abramov) -0.5604400E+00 Hb(Abramov) -0.1746923E+00 Ex_ueg -0.1031159E+00 Ec_ueg -0.1364126E-01 Delta_ex -0.1006819E+00 Delta_ec 0.1890386E-01 Delta_et -0.2612495E+00 Pxc 0.7559117E+01 Qxc -0.5325994E+01 3,-1 56 3 +1 -1.706467 0.499480 -0.555651 Rho 0.9382308E-02 |GRAD(Rho)| 0.1632726E-16 GRAD(Rho)x -0.1277396E-16 GRAD(Rho)y -0.4024320E-17 GRAD(Rho)z -0.9338641E-17 Laplacian 0.3534997E-01 (-1/4)Del**2(Rho)) -0.8837492E-02 Diamond 0.1120285E-02 Metallicity 0.8135926E+00 Ellipticity -0.1603160E+01 Gb(Abramov) 0.7090014E-02 Vb(Abramov) -0.5342537E-02 Hb(Abramov) 0.1747478E-02 Ex_ueg -0.1461497E-02 Ec_ueg -0.3401172E-03 Delta_ex -0.1673127E-02 Delta_ec 0.5368383E-03 Delta_et -0.3720981E-02 Pxc 0.4297040E+01 Qxc -0.3116632E+01 3,+1 57 3 +1 1.595546 -0.587044 -0.561500 Rho 0.9433511E-02 |GRAD(Rho)| 0.1600207E-12 GRAD(Rho)x -0.1080571E-12 GRAD(Rho)y -0.3701647E-13 GRAD(Rho)z -0.1120718E-12 Laplacian 0.3810930E-01 (-1/4)Del**2(Rho)) -0.9527325E-02 Diamond 0.1127065E-02 Metallicity 0.7615606E+00 Ellipticity -0.1415628E+01 Gb(Abramov) 0.7560823E-02 Vb(Abramov) -0.5594320E-02 Hb(Abramov) 0.1966503E-02 Ex_ueg -0.1472141E-02 Ec_ueg -0.3424263E-03 Delta_ex -0.1770490E-02 Delta_ec 0.5149833E-03 Delta_et -0.3621110E-02 Pxc 0.4299149E+01 Qxc -0.3437957E+01 3,+1 58 3 +1 -2.892816 -0.292892 -0.307741 Rho 0.5529504E-02 |GRAD(Rho)| 0.6838456E-17 GRAD(Rho)x -0.1356247E-17 GRAD(Rho)y -0.3754081E-17 GRAD(Rho)z 0.5552652E-17 Laplacian 0.2295213E-01 (-1/4)Del**2(Rho)) -0.5738031E-02 Diamond 0.4564510E-03 Metallicity 0.5191193E+00 Ellipticity -0.1457062E+01 Gb(Abramov) 0.4321808E-02 Vb(Abramov) -0.2905585E-02 Hb(Abramov) 0.1416223E-02 Ex_ueg -0.7221597E-03 Ec_ueg -0.1697702E-03 Delta_ex -0.1036738E-02 Delta_ec 0.4960532E-03 Delta_et -0.2867094E-02 Pxc 0.4253749E+01 Qxc -0.2089973E+01 3,+1 59 3 +1 -2.914321 0.191168 0.241967 Rho 0.5822893E-02 |GRAD(Rho)| 0.2219899E-17 GRAD(Rho)x -0.1463889E-18 GRAD(Rho)y -0.2265095E-18 GRAD(Rho)z 0.2203455E-17 Laplacian 0.2446188E-01 (-1/4)Del**2(Rho)) -0.6115470E-02 Diamond 0.6376254E-03 Metallicity 0.5309105E+00 Ellipticity -0.2262444E+01 Gb(Abramov) 0.4618108E-02 Vb(Abramov) -0.3120746E-02 Hb(Abramov) 0.1497362E-02 Ex_ueg -0.7736956E-03 Ec_ueg -0.1824953E-03 Delta_ex -0.1205513E-02 Delta_ec 0.6856350E-03 Delta_et -0.3931169E-02 Pxc 0.4239536E+01 Qxc -0.1758243E+01 3,+1 60 3 -1 -3.141047 -0.043106 3.295743 Rho 0.2282006E+00 |GRAD(Rho)| 0.4348303E-15 GRAD(Rho)x 0.3794708E-16 GRAD(Rho)y -0.2277502E-15 GRAD(Rho)z -0.3684661E-15 Laplacian 0.8284343E+00 (-1/4)Del**2(Rho)) -0.2071086E+00 Diamond 0.2764949E+01 Metallicity 0.7088422E+01 Ellipticity 0.9926987E-03 Gb(Abramov) 0.3827512E+00 Vb(Abramov) -0.5583939E+00 Hb(Abramov) -0.1756427E+00 Ex_ueg -0.1029929E+00 Ec_ueg -0.1362727E-01 Delta_ex -0.9882874E-01 Delta_ec 0.1864918E-01 Delta_et -0.2581087E+00 Pxc 0.7557855E+01 Qxc -0.5299360E+01 3,-1 61 3 -1 -3.190896 0.071492 -3.231846 Rho 0.2211506E+00 |GRAD(Rho)| 0.6738652E-15 GRAD(Rho)x -0.6106227E-15 GRAD(Rho)y 0.2036132E-15 GRAD(Rho)z -0.1994390E-15 Laplacian 0.8180191E+00 (-1/4)Del**2(Rho)) -0.2045048E+00 Diamond 0.2622557E+01 Metallicity 0.6812866E+01 Ellipticity 0.2073227E-01 Gb(Abramov) 0.3685471E+00 Vb(Abramov) -0.5325895E+00 Hb(Abramov) -0.1640423E+00 Ex_ueg -0.9877245E-01 Ec_ueg -0.1314585E-01 Delta_ex -0.9675774E-01 Delta_ec 0.1851259E-01 Delta_et -0.2555208E+00 Pxc 0.7513586E+01 Qxc -0.5226592E+01 3,-1 62 3 +3 -1.108299 -1.149596 1.165176 Rho 0.5125499E-02 |GRAD(Rho)| 0.4337960E-11 GRAD(Rho)x -0.4310061E-11 GRAD(Rho)y -0.3168074E-12 GRAD(Rho)z -0.3753709E-12 Laplacian 0.1987091E-01 (-1/4)Del**2(Rho)) -0.4967728E-02 Diamond 0.1453763E-03 Metallicity 0.5283913E+00 Ellipticity -0.3066249E+00 Gb(Abramov) 0.3749302E-02 Vb(Abramov) -0.2530877E-02 Hb(Abramov) 0.1218425E-02 Ex_ueg -0.6526794E-03 Ec_ueg -0.1523175E-03 Delta_ex -0.6929033E-03 Delta_ec 0.9044693E-04 Delta_et -0.7106755E-03 Pxc 0.4284992E+01 Qxc -0.7660883E+01 3,+3 63 3 -1 -3.078546 -2.002126 -0.911773 Rho 0.1496400E+00 |GRAD(Rho)| 0.2097222E-13 GRAD(Rho)x -0.1434092E-13 GRAD(Rho)y -0.5602384E-14 GRAD(Rho)z 0.1424028E-13 Laplacian 0.5689863E+00 (-1/4)Del**2(Rho)) -0.1422466E+00 Diamond 0.1146981E+01 Metallicity 0.5108079E+01 Ellipticity 0.8046218E-01 Gb(Abramov) 0.2159322E+00 Vb(Abramov) -0.2896178E+00 Hb(Abramov) -0.7368560E-01 Ex_ueg -0.5867441E-01 Ec_ueg -0.8420474E-02 Delta_ex -0.6104024E-01 Delta_ec 0.1439609E-01 Delta_et -0.1914636E+00 Pxc 0.6968065E+01 Qxc -0.4240056E+01 3,-1 64 3 +1 -1.670561 -0.536624 0.538883 Rho 0.9628632E-02 |GRAD(Rho)| 0.3837187E-15 GRAD(Rho)x -0.9214946E-16 GRAD(Rho)y 0.1267337E-15 GRAD(Rho)z 0.3502672E-15 Laplacian 0.3637124E-01 (-1/4)Del**2(Rho)) -0.9092811E-02 Diamond 0.1206015E-02 Metallicity 0.8256500E+00 Ellipticity -0.1631326E+01 Gb(Abramov) 0.7313120E-02 Vb(Abramov) -0.5533430E-02 Hb(Abramov) 0.1779690E-02 Ex_ueg -0.1512880E-02 Ec_ueg -0.3512358E-03 Delta_ex -0.1737364E-02 Delta_ec 0.5605916E-03 Delta_et -0.3905969E-02 Pxc 0.4307306E+01 Qxc -0.3099162E+01 3,+1 65 3 -1 -2.974181 0.847928 2.084766 Rho 0.1327127E+00 |GRAD(Rho)| 0.2084317E-13 GRAD(Rho)x 0.5804859E-14 GRAD(Rho)y 0.1064749E-13 GRAD(Rho)z -0.1695206E-13 Laplacian 0.5152002E+00 (-1/4)Del**2(Rho)) -0.1288000E+00 Diamond 0.8943309E+00 Metallicity 0.4618398E+01 Ellipticity 0.5518737E-01 Gb(Abramov) 0.1850083E+00 Vb(Abramov) -0.2412166E+00 Hb(Abramov) -0.5620829E-01 Ex_ueg -0.4999598E-01 Ec_ueg -0.7346241E-02 Delta_ex -0.5361931E-01 Delta_ec 0.1332387E-01 Delta_et -0.1738757E+00 Pxc 0.6805654E+01 Qxc -0.4024305E+01 3,-1 66 3 +1 0.300917 -1.943483 -0.735980 Rho 0.6079552E-02 |GRAD(Rho)| 0.1269746E-14 GRAD(Rho)x 0.2763012E-15 GRAD(Rho)y 0.7512632E-15 GRAD(Rho)z 0.9856551E-15 Laplacian 0.2360273E-01 (-1/4)Del**2(Rho)) -0.5900683E-02 Diamond 0.6000867E-03 Metallicity 0.5912486E+00 Ellipticity -0.2144967E+01 Gb(Abramov) 0.4515250E-02 Vb(Abramov) -0.3129818E-02 Hb(Abramov) 0.1385433E-02 Ex_ueg -0.8194966E-03 Ec_ueg -0.1936621E-03 Delta_ex -0.1136371E-02 Delta_ec 0.5951886E-03 Delta_et -0.3485679E-02 Pxc 0.4231579E+01 Qxc -0.1909263E+01 3,+1 67 3 -1 -1.778060 -0.541918 2.855943 Rho 0.1384741E+00 |GRAD(Rho)| 0.6767188E-15 GRAD(Rho)x -0.3802433E-15 GRAD(Rho)y 0.5107947E-15 GRAD(Rho)z -0.2290242E-15 Laplacian 0.5750120E+00 (-1/4)Del**2(Rho)) -0.1437530E+00 Diamond 0.1043514E+01 Metallicity 0.4441714E+01 Ellipticity 0.2726904E-01 Gb(Abramov) 0.2022536E+00 Vb(Abramov) -0.2607542E+00 Hb(Abramov) -0.5850061E-01 Ex_ueg -0.5291066E-01 Ec_ueg -0.7709824E-02 Delta_ex -0.6038872E-01 Delta_ec 0.1458102E-01 Delta_et -0.1912416E+00 Pxc 0.6862758E+01 Qxc -0.4141599E+01 3,-1 68 3 -1 -3.032923 1.919334 0.878761 Rho 0.1259731E+00 |GRAD(Rho)| 0.7712153E-16 GRAD(Rho)x -0.7312266E-16 GRAD(Rho)y 0.2421159E-16 GRAD(Rho)z 0.3821813E-17 Laplacian 0.4814197E+00 (-1/4)Del**2(Rho)) -0.1203549E+00 Diamond 0.7914392E+00 Metallicity 0.4531260E+01 Ellipticity 0.4321127E-01 Gb(Abramov) 0.1711299E+00 Vb(Abramov) -0.2219048E+00 Hb(Abramov) -0.5077493E-01 Ex_ueg -0.4663967E-01 Ec_ueg -0.6923690E-02 Delta_ex -0.4955845E-01 Delta_ec 0.1275217E-01 Delta_et -0.1652868E+00 Pxc 0.6736244E+01 Qxc -0.3886275E+01 3,-1 69 3 -1 -2.917854 0.025605 0.056059 Rho 0.5887183E-02 |GRAD(Rho)| 0.1456784E-15 GRAD(Rho)x 0.2363314E-16 GRAD(Rho)y 0.1021365E-15 GRAD(Rho)z 0.1011524E-15 Laplacian 0.2367548E-01 (-1/4)Del**2(Rho)) -0.5918871E-02 Diamond 0.8106406E-03 Metallicity 0.5586763E+00 Ellipticity 0.1342448E+01 Gb(Abramov) 0.4497036E-02 Vb(Abramov) -0.3075201E-02 Hb(Abramov) 0.1421835E-02 Ex_ueg -0.7851063E-03 Ec_ueg -0.1852895E-03 Delta_ex -0.1307048E-02 Delta_ec 0.9093669E-03 Delta_et -0.5121673E-02 Pxc 0.4237188E+01 Qxc -0.1437317E+01 3,-1 70 3 -1 -2.719811 -0.523644 1.871596 Rho 0.9679423E-01 |GRAD(Rho)| 0.1712254E-14 GRAD(Rho)x 0.2810133E-15 GRAD(Rho)y 0.1081410E-14 GRAD(Rho)z 0.1297458E-14 Laplacian 0.3973368E+00 (-1/4)Del**2(Rho)) -0.9933421E-01 Diamond 0.4717550E+00 Metallicity 0.3538915E+01 Ellipticity 0.7726137E-02 Gb(Abramov) 0.1248120E+00 Vb(Abramov) -0.1502898E+00 Hb(Abramov) -0.2547781E-01 Ex_ueg -0.3282346E-01 Ec_ueg -0.5131270E-02 Delta_ex -0.3836933E-01 Delta_ec 0.1105178E-01 Delta_et -0.1362673E+00 Pxc 0.6396751E+01 Qxc -0.3471778E+01 3,-1 71 3 -1 -1.695709 0.548623 1.783077 Rho 0.4183324E-01 |GRAD(Rho)| 0.4916529E-16 GRAD(Rho)x -0.4898603E-17 GRAD(Rho)y -0.7568134E-17 GRAD(Rho)z 0.4833170E-16 Laplacian 0.1720242E+00 (-1/4)Del**2(Rho)) -0.4300604E-01 Diamond 0.6998729E-01 Metallicity 0.2019418E+01 Ellipticity 0.1148986E-01 Gb(Abramov) 0.4314522E-01 Vb(Abramov) -0.4328440E-01 Hb(Abramov) -0.1391798E-03 Ex_ueg -0.1072540E-01 Ec_ueg -0.1968685E-02 Delta_ex -0.1362712E-01 Delta_ec 0.5284253E-02 Delta_et -0.5317493E-01 Pxc 0.5448004E+01 Qxc -0.2578817E+01 3,-1 72 3 -1 -0.000187 -2.221779 -1.005549 Rho 0.6344654E-02 |GRAD(Rho)| 0.3413717E-16 GRAD(Rho)x -0.2007512E-16 GRAD(Rho)y -0.2064404E-16 GRAD(Rho)z -0.1833465E-16 Laplacian 0.2449827E-01 (-1/4)Del**2(Rho)) -0.6124567E-02 Diamond 0.8546900E-03 Metallicity 0.6116331E+00 Ellipticity 0.1651089E+02 Gb(Abramov) 0.4707376E-02 Vb(Abramov) -0.3290185E-02 Hb(Abramov) 0.1417191E-02 Ex_ueg -0.8674857E-03 Ec_ueg -0.2052299E-03 Delta_ex -0.1322051E-02 Delta_ec 0.8530066E-03 Delta_et -0.4943290E-02 Pxc 0.4226897E+01 Qxc -0.1549872E+01 3,-1 73 3 -1 -2.744784 0.467580 -1.881615 Rho 0.6092588E-01 |GRAD(Rho)| 0.2009730E-15 GRAD(Rho)x -0.5251308E-16 GRAD(Rho)y 0.6143276E-16 GRAD(Rho)z 0.1840069E-15 Laplacian 0.2565206E+00 (-1/4)Del**2(Rho)) -0.6413016E-01 Diamond 0.1751736E+00 Metallicity 0.2534121E+01 Ellipticity 0.9500229E-02 Gb(Abramov) 0.6983903E-01 Vb(Abramov) -0.7554790E-01 Hb(Abramov) -0.5708873E-02 Ex_ueg -0.1770602E-01 Ec_ueg -0.3027167E-02 Delta_ex -0.2236745E-01 Delta_ec 0.7930566E-02 Delta_et -0.8812179E-01 Pxc 0.5849039E+01 Qxc -0.2820410E+01 3,-1 74 3 +1 -1.762615 1.704727 -1.717190 Rho 0.1117483E-01 |GRAD(Rho)| 0.9478681E-12 GRAD(Rho)x 0.3777634E-12 GRAD(Rho)y -0.3398882E-12 GRAD(Rho)z -0.8001405E-12 Laplacian 0.5422260E-01 (-1/4)Del**2(Rho)) -0.1355565E-01 Diamond 0.1999778E-02 Metallicity 0.7098521E+00 Ellipticity -0.1283607E+01 Gb(Abramov) 0.1064085E-01 Vb(Abramov) -0.7726052E-02 Hb(Abramov) 0.2914799E-02 Ex_ueg -0.1845184E-02 Ec_ueg -0.4216117E-03 Delta_ex -0.2625079E-02 Delta_ec 0.7203768E-03 Delta_et -0.5294811E-02 Pxc 0.4376502E+01 Qxc -0.3644036E+01 3,+1 75 3 +3 -0.262548 -0.628907 -2.770121 Rho 0.3171405E-02 |GRAD(Rho)| 0.1708574E-12 GRAD(Rho)x 0.1248640E-12 GRAD(Rho)y 0.7047914E-13 GRAD(Rho)z 0.9291879E-13 Laplacian 0.1268319E-01 (-1/4)Del**2(Rho)) -0.3170798E-02 Diamond 0.9897570E-04 Metallicity 0.3719382E+00 Ellipticity -0.5526356E+00 Gb(Abramov) 0.2310422E-02 Vb(Abramov) -0.1450046E-02 Hb(Abramov) 0.8603759E-03 Ex_ueg -0.3441286E-03 Ec_ueg -0.6909012E-04 Delta_ex -0.4744750E-03 Delta_ec 0.2121601E-03 Delta_et -0.1082011E-02 Pxc 0.4980865E+01 Qxc -0.2236400E+01 3,+3 76 3 +3 -2.329679 -0.006033 0.006355 Rho 0.5048483E-02 |GRAD(Rho)| 0.5832384E-15 GRAD(Rho)x 0.4480365E-15 GRAD(Rho)y 0.2665756E-15 GRAD(Rho)z 0.2614724E-15 Laplacian 0.2059441E-01 (-1/4)Del**2(Rho)) -0.5148603E-02 Diamond 0.2096994E-03 Metallicity 0.4971246E+00 Ellipticity -0.4575443E+00 Gb(Abramov) 0.3858985E-02 Vb(Abramov) -0.2569367E-02 Hb(Abramov) 0.1289618E-02 Ex_ueg -0.6396360E-03 Ec_ueg -0.1489998E-03 Delta_ex -0.7720707E-03 Delta_ec 0.1954146E-03 Delta_et -0.1247332E-02 Pxc 0.4292865E+01 Qxc -0.3950936E+01 3,+3 77 3 +1 -0.183898 2.969932 0.226653 Rho 0.5595724E-02 |GRAD(Rho)| 0.5381098E-17 GRAD(Rho)x 0.1989856E-17 GRAD(Rho)y 0.3645599E-18 GRAD(Rho)z 0.4986360E-17 Laplacian 0.2312546E-01 (-1/4)Del**2(Rho)) -0.5781365E-02 Diamond 0.5892174E-03 Metallicity 0.5255531E+00 Ellipticity -0.2469889E+01 Gb(Abramov) 0.4360646E-02 Vb(Abramov) -0.2939927E-02 Hb(Abramov) 0.1420719E-02 Ex_ueg -0.7337140E-03 Ec_ueg -0.1726387E-03 Delta_ex -0.1144702E-02 Delta_ec 0.6736887E-03 Delta_et -0.3806072E-02 Pxc 0.4249998E+01 Qxc -0.1699155E+01 3,+1 78 3 +1 -2.179620 1.157554 1.301341 Rho 0.2599531E-01 |GRAD(Rho)| 0.8192096E-14 GRAD(Rho)x -0.6224446E-14 GRAD(Rho)y -0.8701347E-15 GRAD(Rho)z 0.5254480E-14 Laplacian 0.1036253E+00 (-1/4)Del**2(Rho)) -0.2590632E-01 Diamond 0.1569883E-01 Metallicity 0.1516954E+01 Ellipticity -0.8154689E+01 Gb(Abramov) 0.2382066E-01 Vb(Abramov) -0.2173500E-01 Hb(Abramov) 0.2085658E-02 Ex_ueg -0.5687372E-02 Ec_ueg -0.1138956E-02 Delta_ex -0.6656634E-02 Delta_ec 0.2015652E-02 Delta_et -0.1791030E-01 Pxc 0.4993497E+01 Qxc -0.3302472E+01 3,+1 79 3 +1 -1.753834 -1.758345 1.795090 Rho 0.1181458E-01 |GRAD(Rho)| 0.2552680E-17 GRAD(Rho)x 0.1992563E-17 GRAD(Rho)y 0.1591584E-17 GRAD(Rho)z -0.1128234E-18 Laplacian 0.5803769E-01 (-1/4)Del**2(Rho)) -0.1450942E-01 Diamond 0.2260394E-02 Metallicity 0.7276686E+00 Ellipticity -0.1261318E+01 Gb(Abramov) 0.1143262E-01 Vb(Abramov) -0.8355825E-02 Hb(Abramov) 0.3076799E-02 Ex_ueg -0.1987358E-02 Ec_ueg -0.4510162E-03 Delta_ex -0.2836385E-02 Delta_ec 0.7448722E-03 Delta_et -0.5570604E-02 Pxc 0.4406401E+01 Qxc -0.3807881E+01 3,+1 80 3 +1 -2.247410 -1.177178 -1.438547 Rho 0.2931884E-01 |GRAD(Rho)| 0.4554028E-16 GRAD(Rho)x 0.3814306E-17 GRAD(Rho)y 0.4188780E-16 GRAD(Rho)z 0.1745795E-16 Laplacian 0.1214004E+00 (-1/4)Del**2(Rho)) -0.3035011E-01 Diamond 0.2095582E-01 Metallicity 0.1582356E+01 Ellipticity -0.5353146E+01 Gb(Abramov) 0.2823752E-01 Vb(Abramov) -0.2612493E-01 Hb(Abramov) 0.2112588E-02 Ex_ueg -0.6676992E-02 Ec_ueg -0.1308526E-02 Delta_ex -0.7984131E-02 Delta_ec 0.2245172E-02 Delta_et -0.2057522E-01 Pxc 0.5102681E+01 Qxc -0.3556134E+01 3,+1 81 3 -1 -1.756707 0.474717 -2.861026 Rho 0.1304352E+00 |GRAD(Rho)| 0.3401668E-14 GRAD(Rho)x -0.2155597E-14 GRAD(Rho)y -0.2629949E-14 GRAD(Rho)z -0.9005485E-16 Laplacian 0.5389957E+00 (-1/4)Del**2(Rho)) -0.1347489E+00 Diamond 0.9175365E+00 Metallicity 0.4288964E+01 Ellipticity 0.1466066E-01 Gb(Abramov) 0.1861548E+00 Vb(Abramov) -0.2375607E+00 Hb(Abramov) -0.5140590E-01 Ex_ueg -0.4885526E-01 Ec_ueg -0.7203110E-02 Delta_ex -0.5587517E-01 Delta_ec 0.1402230E-01 Delta_et -0.1825369E+00 Pxc 0.6782523E+01 Qxc -0.3984737E+01 3,-1 82 3 -1 -2.971549 -0.952224 -2.137077 Rho 0.1106314E+00 |GRAD(Rho)| 0.2041308E-13 GRAD(Rho)x 0.6393984E-14 GRAD(Rho)y -0.1273806E-13 GRAD(Rho)z 0.1461343E-13 Laplacian 0.4167763E+00 (-1/4)Del**2(Rho)) -0.1041941E+00 Diamond 0.5911442E+00 Metallicity 0.4215418E+01 Ellipticity 0.3576017E-01 Gb(Abramov) 0.1426663E+00 Vb(Abramov) -0.1811386E+00 Hb(Abramov) -0.3847224E-01 Ex_ueg -0.3922439E-01 Ec_ueg -0.5973445E-02 Delta_ex -0.4167414E-01 Delta_ec 0.1151294E-01 Delta_et -0.1460358E+00 Pxc 0.6566460E+01 Qxc -0.3619765E+01 3,-1 83 3 -1 -0.241483 -1.280920 -3.572146 Rho 0.5075060E-02 |GRAD(Rho)| 0.3636243E-15 GRAD(Rho)x -0.1263889E-15 GRAD(Rho)y -0.2839278E-15 GRAD(Rho)z -0.1887683E-15 Laplacian 0.2020026E-01 (-1/4)Del**2(Rho)) -0.5050066E-02 Diamond 0.7520532E-03 Metallicity 0.5112792E+00 Ellipticity 0.1626402E+00 Gb(Abramov) 0.3797043E-02 Vb(Abramov) -0.2544020E-02 Hb(Abramov) 0.1253023E-02 Ex_ueg -0.6441297E-03 Ec_ueg -0.1501444E-03 Delta_ex -0.1254332E-02 Delta_ec 0.1077267E-02 Delta_et -0.5698627E-02 Pxc 0.4290069E+01 Qxc -0.1164365E+01 3,-1 84 3 -1 -2.109149 -0.898001 -3.343648 Rho 0.2243896E+00 |GRAD(Rho)| 0.3831460E-13 GRAD(Rho)x 0.3027499E-13 GRAD(Rho)y -0.2330346E-13 GRAD(Rho)z 0.2895199E-14 Laplacian 0.8481457E+00 (-1/4)Del**2(Rho)) -0.2120364E+00 Diamond 0.2743666E+01 Metallicity 0.6732051E+01 Ellipticity 0.1403393E-01 Gb(Abramov) 0.3792643E+00 Vb(Abramov) -0.5464921E+00 Hb(Abramov) -0.1672278E+00 Ex_ueg -0.1007060E+00 Ec_ueg -0.1336669E-01 Delta_ex -0.1005630E+00 Delta_ec 0.1887077E-01 Delta_et -0.2596802E+00 Pxc 0.7534102E+01 Qxc -0.5329037E+01 3,-1 85 3 -1 -1.734538 -0.626743 -1.869120 Rho 0.5277020E-01 |GRAD(Rho)| 0.2785472E-14 GRAD(Rho)x -0.2344396E-14 GRAD(Rho)y -0.3152233E-15 GRAD(Rho)z -0.1470815E-14 Laplacian 0.2154311E+00 (-1/4)Del**2(Rho)) -0.5385778E-01 Diamond 0.1216860E+00 Metallicity 0.2374757E+01 Ellipticity 0.1193281E-01 Gb(Abramov) 0.5722172E-01 Vb(Abramov) -0.6058565E-01 Hb(Abramov) -0.3363933E-02 Ex_ueg -0.1461852E-01 Ec_ueg -0.2568563E-02 Delta_ex -0.1814288E-01 Delta_ec 0.6715127E-02 Delta_et -0.7190853E-01 Pxc 0.5691322E+01 Qxc -0.2701793E+01 3,-1 86 3 +1 -0.556257 -0.573516 1.671905 Rho 0.8013643E-02 |GRAD(Rho)| 0.4040496E-14 GRAD(Rho)x 0.3513677E-14 GRAD(Rho)y -0.1510856E-14 GRAD(Rho)z -0.1302687E-14 Laplacian 0.3123539E-01 (-1/4)Del**2(Rho)) -0.7808848E-02 Diamond 0.7686280E-03 Metallicity 0.7079723E+00 Ellipticity -0.1429822E+01 Gb(Abramov) 0.6127306E-02 Vb(Abramov) -0.4445765E-02 Hb(Abramov) 0.1681541E-02 Ex_ueg -0.1184382E-02 Ec_ueg -0.2788217E-03 Delta_ex -0.1406402E-02 Delta_ec 0.4478330E-03 Delta_et -0.2998832E-02 Pxc 0.4247810E+01 Qxc -0.3140461E+01 3,+1 87 3 +1 0.189894 2.999444 -0.132183 Rho 0.5608696E-02 |GRAD(Rho)| 0.3698614E-15 GRAD(Rho)x 0.2302470E-15 GRAD(Rho)y 0.3406193E-16 GRAD(Rho)z -0.2874432E-15 Laplacian 0.2302317E-01 (-1/4)Del**2(Rho)) -0.5755792E-02 Diamond 0.5993299E-03 Metallicity 0.5299293E+00 Ellipticity -0.2638022E+01 Gb(Abramov) 0.4345555E-02 Vb(Abramov) -0.2935318E-02 Hb(Abramov) 0.1410237E-02 Ex_ueg -0.7359827E-03 Ec_ueg -0.1732008E-03 Delta_ex -0.1148844E-02 Delta_ec 0.6861955E-03 Delta_et -0.3872727E-02 Pxc 0.4249303E+01 Qxc -0.1674222E+01 3,+1 88 3 +1 -0.207177 0.180642 2.947578 Rho 0.5631817E-02 |GRAD(Rho)| 0.3816639E-15 GRAD(Rho)x -0.3040306E-15 GRAD(Rho)y 0.2264918E-15 GRAD(Rho)z 0.4397984E-16 Laplacian 0.2325453E-01 (-1/4)Del**2(Rho)) -0.5813632E-02 Diamond 0.6101085E-03 Metallicity 0.5282666E+00 Ellipticity -0.2798231E+01 Gb(Abramov) 0.4387612E-02 Vb(Abramov) -0.2961593E-02 Hb(Abramov) 0.1426019E-02 Ex_ueg -0.7400307E-03 Ec_ueg -0.1742030E-03 Delta_ex -0.1162449E-02 Delta_ec 0.6950644E-03 Delta_et -0.3926760E-02 Pxc 0.4248095E+01 Qxc -0.1672434E+01 3,+1 89 3 +3 -1.174076 1.093270 -1.131505 Rho 0.5419498E-02 |GRAD(Rho)| 0.1664278E-13 GRAD(Rho)x 0.1586423E-13 GRAD(Rho)y -0.4136827E-14 GRAD(Rho)z 0.2862711E-14 Laplacian 0.2096578E-01 (-1/4)Del**2(Rho)) -0.5241446E-02 Diamond 0.1573757E-03 Metallicity 0.5495836E+00 Ellipticity -0.2492024E+00 Gb(Abramov) 0.3974400E-02 Vb(Abramov) -0.2707353E-02 Hb(Abramov) 0.1267047E-02 Ex_ueg -0.7030676E-03 Ec_ueg -0.1650099E-03 Delta_ex -0.7356664E-03 Delta_ec 0.8322201E-04 Delta_et -0.6940291E-03 Pxc 0.4260760E+01 Qxc -0.8839805E+01 3,+3 90 3 -1 -1.842290 -1.725753 -0.579153 Rho 0.4793996E-01 |GRAD(Rho)| 0.3783707E-16 GRAD(Rho)x 0.3417778E-18 GRAD(Rho)y -0.3780859E-16 GRAD(Rho)z 0.1427462E-17 Laplacian 0.1952970E+00 (-1/4)Del**2(Rho)) -0.4882426E-01 Diamond 0.9549043E-01 Metallicity 0.2232271E+01 Ellipticity 0.1461632E-01 Gb(Abramov) 0.5071434E-01 Vb(Abramov) -0.5260441E-01 Hb(Abramov) -0.1890076E-02 Ex_ueg -0.1286220E-01 Ec_ueg -0.2301323E-02 Delta_ex -0.1599709E-01 Delta_ec 0.5983090E-02 Delta_et -0.6243937E-01 Pxc 0.5589047E+01 Qxc -0.2673716E+01 3,-1 91 3 -1 -1.834951 2.717184 -0.536846 Rho 0.1220709E+00 |GRAD(Rho)| 0.5602536E-15 GRAD(Rho)x -0.4220731E-15 GRAD(Rho)y -0.1666520E-15 GRAD(Rho)z 0.3285810E-15 Laplacian 0.5009313E+00 (-1/4)Del**2(Rho)) -0.1252328E+00 Diamond 0.7879648E+00 Metallicity 0.4132267E+01 Ellipticity 0.6448833E-02 Gb(Abramov) 0.1697378E+00 Vb(Abramov) -0.2142428E+00 Hb(Abramov) -0.4450497E-01 Ex_ueg -0.4472336E-01 Ec_ueg -0.6680431E-02 Delta_ex -0.5111451E-01 Delta_ec 0.1325110E-01 Delta_et -0.1706426E+00 Pxc 0.6694682E+01 Qxc -0.3857377E+01 3,-1 92 3 +1 -2.032292 2.001220 2.071056 Rho 0.1181440E-01 |GRAD(Rho)| 0.1406472E-16 GRAD(Rho)x 0.1382449E-17 GRAD(Rho)y 0.1037595E-16 GRAD(Rho)z -0.9393880E-17 Laplacian 0.5453031E-01 (-1/4)Del**2(Rho)) -0.1363258E-01 Diamond 0.1719227E-02 Metallicity 0.7744521E+00 Ellipticity -0.1135814E+01 Gb(Abramov) 0.1084801E-01 Vb(Abramov) -0.8063451E-02 Hb(Abramov) 0.2784563E-02 Ex_ueg -0.1987317E-02 Ec_ueg -0.4510078E-03 Delta_ex -0.2545611E-02 Delta_ec 0.4867650E-03 Delta_et -0.3807286E-02 Pxc 0.4406392E+01 Qxc -0.5229651E+01 3,+1 93 3 +1 0.537500 0.428306 1.641321 Rho 0.7977321E-02 |GRAD(Rho)| 0.6377263E-14 GRAD(Rho)x -0.1559105E-14 GRAD(Rho)y 0.5816672E-14 GRAD(Rho)z 0.2098810E-14 Laplacian 0.3142979E-01 (-1/4)Del**2(Rho)) -0.7857448E-02 Diamond 0.7771376E-03 Metallicity 0.6982861E+00 Ellipticity -0.1430290E+01 Gb(Abramov) 0.6152756E-02 Vb(Abramov) -0.4448065E-02 Hb(Abramov) 0.1704691E-02 Ex_ueg -0.1177230E-02 Ec_ueg -0.2772064E-03 Delta_ex -0.1417775E-02 Delta_ec 0.4581731E-03 Delta_et -0.3058303E-02 Pxc 0.4246761E+01 Qxc -0.3094409E+01 3,+1 94 3 -1 -2.041157 2.914005 0.861364 Rho 0.1023946E+00 |GRAD(Rho)| 0.2025600E-15 GRAD(Rho)x -0.7115416E-16 GRAD(Rho)y -0.1267195E-15 GRAD(Rho)z -0.1411021E-15 Laplacian 0.4038704E+00 (-1/4)Del**2(Rho)) -0.1009676E+00 Diamond 0.5124854E+00 Metallicity 0.3823837E+01 Ellipticity 0.2466271E-01 Gb(Abramov) 0.1316590E+00 Vb(Abramov) -0.1623504E+00 Hb(Abramov) -0.3069141E-01 Ex_ueg -0.3537972E-01 Ec_ueg -0.5470334E-02 Delta_ex -0.3950381E-01 Delta_ec 0.1107406E-01 Delta_et -0.1380413E+00 Pxc 0.6467560E+01 Qxc -0.3567236E+01 3,-1 95 3 +1 -0.670786 -1.722746 0.479961 Rho 0.8312235E-02 |GRAD(Rho)| 0.1363475E-16 GRAD(Rho)x 0.5911555E-17 GRAD(Rho)y 0.1084366E-16 GRAD(Rho)z -0.5777092E-17 Laplacian 0.3154426E-01 (-1/4)Del**2(Rho)) -0.7886064E-02 Diamond 0.8284996E-03 Metallicity 0.7451137E+00 Ellipticity -0.1495722E+01 Gb(Abramov) 0.6236712E-02 Vb(Abramov) -0.4587359E-02 Hb(Abramov) 0.1649352E-02 Ex_ueg -0.1243585E-02 Ec_ueg -0.2921232E-03 Delta_ex -0.1439371E-02 Delta_ec 0.4628932E-03 Delta_et -0.3120652E-02 Pxc 0.4257057E+01 Qxc -0.3109511E+01 3,+1 96 3 +1 -0.269576 -0.498082 -3.213351 Rho 0.3406066E-02 |GRAD(Rho)| 0.3115301E-17 GRAD(Rho)x -0.2854148E-17 GRAD(Rho)y 0.1134152E-17 GRAD(Rho)z -0.5221459E-18 Laplacian 0.1359858E-01 (-1/4)Del**2(Rho)) -0.3399644E-02 Diamond 0.1580836E-03 Metallicity 0.3907283E+00 Ellipticity -0.1502737E+01 Gb(Abramov) 0.2487819E-02 Vb(Abramov) -0.1575994E-02 Hb(Abramov) 0.9118253E-03 Ex_ueg -0.3784913E-03 Ec_ueg -0.7897773E-04 Delta_ex -0.5807016E-03 Delta_ec 0.3416042E-03 Delta_et -0.1688324E-02 Pxc 0.4792380E+01 Qxc -0.1699925E+01 3,+1 97 3 +3 0.108716 2.264213 -0.002850 Rho 0.4357166E-02 |GRAD(Rho)| 0.5271213E-11 GRAD(Rho)x -0.3610916E-11 GRAD(Rho)y 0.2172665E-11 GRAD(Rho)z -0.3166466E-11 Laplacian 0.1767495E-01 (-1/4)Del**2(Rho)) -0.4418738E-02 Diamond 0.1311497E-03 Metallicity 0.4531706E+00 Ellipticity -0.3045936E+00 Gb(Abramov) 0.3279566E-02 Vb(Abramov) -0.2140393E-02 Hb(Abramov) 0.1139172E-02 Ex_ueg -0.5256022E-03 Ec_ueg -0.1193548E-03 Delta_ex -0.6201116E-03 Delta_ec 0.1354216E-03 Delta_et -0.8780945E-03 Pxc 0.4403696E+01 Qxc -0.4579118E+01 3,+3 98 3 -1 -0.001889 -3.396799 -1.148714 Rho 0.3104805E-01 |GRAD(Rho)| 0.2342284E-14 GRAD(Rho)x 0.1228516E-14 GRAD(Rho)y 0.8860218E-15 GRAD(Rho)z 0.1786619E-14 Laplacian 0.9811756E-01 (-1/4)Del**2(Rho)) -0.2452939E-01 Diamond 0.4091906E-01 Metallicity 0.2154056E+01 Ellipticity 0.8859332E-02 Gb(Abramov) 0.2515921E-01 Vb(Abramov) -0.2578902E-01 Hb(Abramov) -0.6298173E-03 Ex_ueg -0.7207161E-02 Ec_ueg -0.1397793E-02 Delta_ex -0.8390355E-02 Delta_ec 0.5096285E-02 Delta_et -0.4718321E-01 Pxc 0.5156101E+01 Qxc -0.1646367E+01 3,-1 99 3 +1 1.333934 1.071392 -2.209149 Rho 0.3021058E-01 |GRAD(Rho)| 0.1498217E-16 GRAD(Rho)x 0.6222566E-17 GRAD(Rho)y 0.7975137E-17 GRAD(Rho)z 0.1105181E-16 Laplacian 0.1212783E+00 (-1/4)Del**2(Rho)) -0.3031959E-01 Diamond 0.2090267E-01 Metallicity 0.1665055E+01 Ellipticity -0.5086860E+01 Gb(Abramov) 0.2862702E-01 Vb(Abramov) -0.2693445E-01 Hb(Abramov) 0.1692568E-02 Ex_ueg -0.6949132E-02 Ec_ueg -0.1354475E-02 Delta_ex -0.7963005E-02 Delta_ec 0.2105357E-02 Delta_et -0.1944655E-01 Pxc 0.5130500E+01 Qxc -0.3782260E+01 3,+1 100 3 -1 -0.843265 -3.492195 -1.217041 Rho 0.3171024E+00 |GRAD(Rho)| 0.3255876E-15 GRAD(Rho)x -0.1854964E-15 GRAD(Rho)y 0.2672896E-15 GRAD(Rho)z -0.1243405E-16 Laplacian -0.1642959E+01 (-1/4)Del**2(Rho)) 0.4107398E+00 Diamond 0.5637302E+01 Metallicity -0.6184704E+01 Ellipticity 0.3828218E-02 Gb(Abramov) 0.1495575E+00 Vb(Abramov) -0.7098548E+00 Hb(Abramov) -0.5602973E+00 Ex_ueg -0.1597047E+00 Ec_ueg -0.1993215E-01 Delta_ex 0.1631820E+00 Delta_ec 0.5704512E-01 Delta_et -0.1350070E+01 Pxc 0.8012419E+01 Qxc 0.2860578E+01 3,-1 101 3 +1 0.057248 -3.092625 0.144634 Rho 0.5307020E-02 |GRAD(Rho)| 0.1222352E-16 GRAD(Rho)x -0.9695826E-17 GRAD(Rho)y -0.3541634E-18 GRAD(Rho)z 0.7435055E-17 Laplacian 0.2094779E-01 (-1/4)Del**2(Rho)) -0.5236947E-02 Diamond 0.5394256E-03 Metallicity 0.5311611E+00 Ellipticity -0.4415398E+01 Gb(Abramov) 0.3954908E-02 Vb(Abramov) -0.2672870E-02 Hb(Abramov) 0.1282039E-02 Ex_ueg -0.6836798E-03 Ec_ueg -0.1601490E-03 Delta_ex -0.1062323E-02 Delta_ec 0.6752020E-03 Delta_et -0.3726836E-02 Pxc 0.4269024E+01 Qxc -0.1573341E+01 3,+1 102 3 +1 -1.043210 1.413855 2.196115 Rho 0.2318423E-01 |GRAD(Rho)| 0.5840719E-15 GRAD(Rho)x 0.3282391E-15 GRAD(Rho)y 0.4529227E-15 GRAD(Rho)z 0.1681072E-15 Laplacian 0.8891550E-01 (-1/4)Del**2(Rho)) -0.2222887E-01 Diamond 0.9674179E-02 Metallicity 0.1460910E+01 Ellipticity -0.2581096E+01 Gb(Abramov) 0.2023165E-01 Vb(Abramov) -0.1823442E-01 Hb(Abramov) 0.1997227E-02 Ex_ueg -0.4882497E-02 Ec_ueg -0.9977347E-03 Delta_ex -0.5322951E-02 Delta_ec 0.1335425E-02 Delta_et -0.1162046E-01 Pxc 0.4893582E+01 Qxc -0.3985960E+01 3,+1 103 3 -1 -1.757711 1.670317 0.514478 Rho 0.4575062E-01 |GRAD(Rho)| 0.3963500E-15 GRAD(Rho)x -0.4195481E-16 GRAD(Rho)y -0.1678271E-15 GRAD(Rho)z 0.3566051E-15 Laplacian 0.1870555E+00 (-1/4)Del**2(Rho)) -0.4676389E-01 Diamond 0.8587419E-01 Metallicity 0.2155944E+01 Ellipticity 0.1306745E-01 Gb(Abramov) 0.4797931E-01 Vb(Abramov) -0.4919474E-01 Hb(Abramov) -0.1215426E-02 Ex_ueg -0.1208503E-01 Ec_ueg -0.2181366E-02 Delta_ex -0.1514666E-01 Delta_ec 0.5736190E-02 Delta_et -0.5912465E-01 Pxc 0.5540120E+01 Qxc -0.2640544E+01 3,-1 104 3 +3 2.322998 -0.002175 0.071929 Rho 0.4072216E-02 |GRAD(Rho)| 0.3089526E-17 GRAD(Rho)x 0.9389776E-18 GRAD(Rho)y -0.1890873E-17 GRAD(Rho)z -0.2255681E-17 Laplacian 0.1679135E-01 (-1/4)Del**2(Rho)) -0.4197838E-02 Diamond 0.1368848E-03 Metallicity 0.4261661E+00 Ellipticity -0.2493313E+00 Gb(Abramov) 0.3096721E-02 Vb(Abramov) -0.1995605E-02 Hb(Abramov) 0.1101117E-02 Ex_ueg -0.4802781E-03 Ec_ueg -0.1072076E-03 Delta_ex -0.6071999E-03 Delta_ec 0.1792802E-03 Delta_et -0.1059085E-02 Pxc 0.4479889E+01 Qxc -0.3386877E+01 3,+3 105 3 +1 -0.529478 1.617321 -0.560130 Rho 0.9056499E-02 |GRAD(Rho)| 0.7436620E-16 GRAD(Rho)x 0.6189725E-16 GRAD(Rho)y -0.3979614E-16 GRAD(Rho)z -0.1073915E-16 Laplacian 0.3479043E-01 (-1/4)Del**2(Rho)) -0.8697608E-02 Diamond 0.9714831E-03 Metallicity 0.7793883E+00 Ellipticity -0.1451513E+01 Gb(Abramov) 0.6928208E-02 Vb(Abramov) -0.5158807E-02 Hb(Abramov) 0.1769400E-02 Ex_ueg -0.1394223E-02 Ec_ueg -0.3254511E-03 Delta_ex -0.1598761E-02 Delta_ec 0.4688527E-03 Delta_et -0.3263959E-02 Pxc 0.4283970E+01 Qxc -0.3409944E+01 3,+1 106 3 +1 -1.372589 2.148754 1.105663 Rho 0.2698573E-01 |GRAD(Rho)| 0.2855273E-13 GRAD(Rho)x -0.2143959E-13 GRAD(Rho)y 0.1229603E-13 GRAD(Rho)z -0.1429721E-13 Laplacian 0.1086383E+00 (-1/4)Del**2(Rho)) -0.2715959E-01 Diamond 0.1651830E-01 Metallicity 0.1539998E+01 Ellipticity -0.4862243E+01 Gb(Abramov) 0.2507734E-01 Vb(Abramov) -0.2299510E-01 Hb(Abramov) 0.2082243E-02 Ex_ueg -0.5978110E-02 Ec_ueg -0.1189203E-02 Delta_ex -0.6968271E-02 Delta_ec 0.1971800E-02 Delta_et -0.1770929E-01 Pxc 0.5026989E+01 Qxc -0.3533964E+01 3,+1 107 3 -1 -0.809111 2.041431 2.979757 Rho 0.8496723E-01 |GRAD(Rho)| 0.4970444E-15 GRAD(Rho)x -0.4493069E-15 GRAD(Rho)y -0.1405109E-15 GRAD(Rho)z 0.1594777E-15 Laplacian 0.3324087E+00 (-1/4)Del**2(Rho)) -0.8310218E-01 Diamond 0.3361433E+00 Metallicity 0.3404290E+01 Ellipticity 0.1878418E-01 Gb(Abramov) 0.1025521E+00 Vb(Abramov) -0.1220020E+00 Hb(Abramov) -0.1944992E-01 Ex_ueg -0.2758801E-01 Ec_ueg -0.4423809E-02 Delta_ex -0.3112871E-01 Delta_ec 0.9470333E-02 Delta_et -0.1136000E+00 Pxc 0.6236256E+01 Qxc -0.3286971E+01 3,-1 108 3 -1 -0.575961 -1.847590 2.792816 Rho 0.1235094E+00 |GRAD(Rho)| 0.2570863E-15 GRAD(Rho)x -0.1753223E-15 GRAD(Rho)y 0.1873705E-15 GRAD(Rho)z 0.1574126E-16 Laplacian 0.5070504E+00 (-1/4)Del**2(Rho)) -0.1267626E+00 Diamond 0.8079810E+00 Metallicity 0.4162893E+01 Ellipticity 0.4820901E-02 Gb(Abramov) 0.1724582E+00 Vb(Abramov) -0.2181539E+00 Hb(Abramov) -0.4569564E-01 Ex_ueg -0.4542744E-01 Ec_ueg -0.6769984E-02 Delta_ex -0.5187247E-01 Delta_ec 0.1335472E-01 Delta_et -0.1722815E+00 Pxc 0.6710125E+01 Qxc -0.3884205E+01 3,-1 109 3 +3 0.022783 -0.075488 2.267989 Rho 0.4502575E-02 |GRAD(Rho)| 0.1886872E-12 GRAD(Rho)x -0.6253705E-13 GRAD(Rho)y 0.1728624E-12 GRAD(Rho)z -0.4255071E-13 Laplacian 0.1839038E-01 (-1/4)Del**2(Rho)) -0.4597595E-02 Diamond 0.1465368E-03 Metallicity 0.4600349E+00 Ellipticity -0.3663609E+00 Gb(Abramov) 0.3417572E-02 Vb(Abramov) -0.2237550E-02 Hb(Abramov) 0.1180023E-02 Ex_ueg -0.5491189E-03 Ec_ueg -0.1255698E-03 Delta_ex -0.6548784E-03 Delta_ec 0.1482464E-03 Delta_et -0.9561039E-03 Pxc 0.4373017E+01 Qxc -0.4417501E+01 3,+3 110 3 -1 0.475782 -1.811414 1.686011 Rho 0.4373873E-01 |GRAD(Rho)| 0.8044597E-15 GRAD(Rho)x -0.4711021E-15 GRAD(Rho)y 0.1472931E-15 GRAD(Rho)z -0.6352345E-15 Laplacian 0.1804207E+00 (-1/4)Del**2(Rho)) -0.4510519E-01 Diamond 0.7785178E-01 Metallicity 0.2073816E+01 Ellipticity 0.2243417E-01 Gb(Abramov) 0.4566010E-01 Vb(Abramov) -0.4621502E-01 Hb(Abramov) -0.5549163E-03 Ex_ueg -0.1138169E-01 Ec_ueg -0.2071815E-02 Delta_ex -0.1444381E-01 Delta_ec 0.5528371E-02 Delta_et -0.5630030E-01 Pxc 0.5493583E+01 Qxc -0.2612670E+01 3,-1 111 3 +1 -0.310152 -1.014224 -2.751468 Rho 0.3274797E-02 |GRAD(Rho)| 0.5746407E-17 GRAD(Rho)x 0.3561403E-17 GRAD(Rho)y 0.2451871E-17 GRAD(Rho)z -0.3784961E-17 Laplacian 0.1316455E-01 (-1/4)Del**2(Rho)) -0.3291137E-02 Diamond 0.1241425E-03 Metallicity 0.3780198E+00 Ellipticity -0.1276064E+01 Gb(Abramov) 0.2401444E-02 Vb(Abramov) -0.1511751E-02 Hb(Abramov) 0.8896932E-03 Ex_ueg -0.3591679E-03 Ec_ueg -0.7344292E-04 Delta_ex -0.5235188E-03 Delta_ec 0.2694081E-03 Delta_et -0.1347978E-02 Pxc 0.4890437E+01 Qxc -0.1943218E+01 3,+1 112 3 +3 1.099366 1.124166 1.011197 Rho 0.4227068E-02 |GRAD(Rho)| 0.3778317E-12 GRAD(Rho)x 0.2817531E-12 GRAD(Rho)y -0.1884192E-12 GRAD(Rho)z -0.1669436E-12 Laplacian 0.1638677E-01 (-1/4)Del**2(Rho)) -0.4096692E-02 Diamond 0.1027298E-03 Metallicity 0.4647134E+00 Ellipticity -0.3718630E+00 Gb(Abramov) 0.3048426E-02 Vb(Abramov) -0.2000160E-02 Hb(Abramov) 0.1048266E-02 Ex_ueg -0.5047821E-03 Ec_ueg -0.1138035E-03 Delta_ex -0.5541859E-03 Delta_ec 0.9660905E-04 Delta_et -0.6709392E-03 Pxc 0.4435558E+01 Qxc -0.5736377E+01 3,+3 113 3 -1 -0.549607 2.762926 -1.736073 Rho 0.1464271E+00 |GRAD(Rho)| 0.1573821E-13 GRAD(Rho)x -0.1551900E-14 GRAD(Rho)y -0.8124801E-14 GRAD(Rho)z 0.1338919E-13 Laplacian 0.6103195E+00 (-1/4)Del**2(Rho)) -0.1525799E+00 Diamond 0.1193674E+01 Metallicity 0.4592952E+01 Ellipticity 0.1287776E-01 Gb(Abramov) 0.2185186E+00 Vb(Abramov) -0.2844573E+00 Hb(Abramov) -0.6593872E-01 Ex_ueg -0.5700074E-01 Ec_ueg -0.8215194E-02 Delta_ex -0.6507528E-01 Delta_ec 0.1543392E-01 Delta_et -0.2044372E+00 Pxc 0.6938454E+01 Qxc -0.4216382E+01 3,-1 114 3 -1 -0.833767 3.008731 1.979610 Rho 0.1487637E+00 |GRAD(Rho)| 0.1979271E-15 GRAD(Rho)x 0.1215255E-15 GRAD(Rho)y -0.1390489E-15 GRAD(Rho)z 0.7121853E-16 Laplacian 0.5690073E+00 (-1/4)Del**2(Rho)) -0.1422518E+00 Diamond 0.1133982E+01 Metallicity 0.5058135E+01 Ellipticity 0.5536466E-01 Gb(Abramov) 0.2147560E+00 Vb(Abramov) -0.2872602E+00 Hb(Abramov) -0.7250421E-01 Ex_ueg -0.5821673E-01 Ec_ueg -0.8364422E-02 Delta_ex -0.6090428E-01 Delta_ec 0.1432813E-01 Delta_et -0.1901992E+00 Pxc 0.6960042E+01 Qxc -0.4250681E+01 3,-1 115 3 -1 0.012819 2.986249 0.038882 Rho 0.5659398E-02 |GRAD(Rho)| 0.1887414E-16 GRAD(Rho)x 0.1552331E-16 GRAD(Rho)y -0.4677088E-17 GRAD(Rho)z -0.9663581E-17 Laplacian 0.2260098E-01 (-1/4)Del**2(Rho)) -0.5650246E-02 Diamond 0.7308065E-03 Metallicity 0.5479862E+00 Ellipticity 0.2453204E+01 Gb(Abramov) 0.4282873E-02 Vb(Abramov) -0.2915501E-02 Hb(Abramov) 0.1367373E-02 Ex_ueg -0.7448670E-03 Ec_ueg -0.1753988E-03 Delta_ex -0.1236314E-02 Delta_ec 0.8637664E-03 Delta_et -0.4808025E-02 Pxc 0.4246704E+01 Qxc -0.1431307E+01 3,-1 116 3 -1 -0.488020 1.767252 1.681268 Rho 0.4054955E-01 |GRAD(Rho)| 0.7486520E-16 GRAD(Rho)x -0.3445804E-16 GRAD(Rho)y 0.2579004E-16 GRAD(Rho)z -0.6125615E-16 Laplacian 0.1662145E+00 (-1/4)Del**2(Rho)) -0.4155361E-01 Diamond 0.6487126E-01 Metallicity 0.1984211E+01 Ellipticity 0.6393556E-01 Gb(Abramov) 0.4144426E-01 Vb(Abramov) -0.4133491E-01 Hb(Abramov) 0.1093513E-03 Ex_ueg -0.1028884E-01 Ec_ueg -0.1899566E-02 Delta_ex -0.1306903E-01 Delta_ec 0.5112121E-02 Delta_et -0.5101162E-01 Pxc 0.5416415E+01 Qxc -0.2556480E+01 3,-1 117 3 +1 0.158341 -0.185245 2.970109 Rho 0.5576959E-02 |GRAD(Rho)| 0.3014561E-17 GRAD(Rho)x 0.2495014E-17 GRAD(Rho)y -0.8736250E-18 GRAD(Rho)z 0.1448883E-17 Laplacian 0.2315942E-01 (-1/4)Del**2(Rho)) -0.5789856E-02 Diamond 0.5792567E-03 Metallicity 0.5218526E+00 Ellipticity -0.2265855E+01 Gb(Abramov) 0.4363479E-02 Vb(Abramov) -0.2937102E-02 Hb(Abramov) 0.1426377E-02 Ex_ueg -0.7304351E-03 Ec_ueg -0.1718256E-03 Delta_ex -0.1139054E-02 Delta_ec 0.6629773E-03 Delta_et -0.3746864E-02 Pxc 0.4251027E+01 Qxc -0.1718089E+01 3,+1 118 3 -1 -0.566774 -0.533775 -0.551920 Rho 0.1888431E+00 |GRAD(Rho)| 0.5459430E-14 GRAD(Rho)x 0.3531897E-14 GRAD(Rho)y 0.2626371E-14 GRAD(Rho)z 0.3230055E-14 Laplacian 0.5086261E+00 (-1/4)Del**2(Rho)) -0.1271565E+00 Diamond 0.1365160E+01 Metallicity 0.8421375E+01 Ellipticity 0.2465467E-01 Gb(Abramov) 0.2632432E+00 Vb(Abramov) -0.3993298E+00 Hb(Abramov) -0.1360866E+00 Ex_ueg -0.8001779E-01 Ec_ueg -0.1097488E-01 Delta_ex -0.5789648E-01 Delta_ec 0.1224071E-01 Delta_et -0.1676853E+00 Pxc 0.7290991E+01 Qxc -0.4729831E+01 3,-1 119 3 -1 -0.508180 0.422602 0.425449 Rho 0.1800504E+00 |GRAD(Rho)| 0.5030818E-15 GRAD(Rho)x 0.3087808E-15 GRAD(Rho)y -0.3851086E-15 GRAD(Rho)z -0.9714451E-16 Laplacian 0.4702155E+00 (-1/4)Del**2(Rho)) -0.1175539E+00 Diamond 0.1207652E+01 Metallicity 0.8413428E+01 Ellipticity 0.4236774E-02 Gb(Abramov) 0.2432078E+00 Vb(Abramov) -0.3688617E+00 Hb(Abramov) -0.1256539E+00 Ex_ueg -0.7508914E-01 Ec_ueg -0.1039419E-01 Delta_ex -0.5300823E-01 Delta_ec 0.1168073E-01 Delta_et -0.1598908E+00 Pxc 0.7224147E+01 Qxc -0.4538092E+01 3,-1 120 3 +1 0.580857 1.714564 0.455413 Rho 0.6606272E-02 |GRAD(Rho)| 0.9173975E-17 GRAD(Rho)x -0.1866235E-17 GRAD(Rho)y -0.6681313E-17 GRAD(Rho)z -0.6003252E-17 Laplacian 0.2539292E-01 (-1/4)Del**2(Rho)) -0.6348229E-02 Diamond 0.4968649E-03 Metallicity 0.6311918E+00 Ellipticity -0.1406531E+01 Gb(Abramov) 0.4899978E-02 Vb(Abramov) -0.3451726E-02 Hb(Abramov) 0.1448251E-02 Ex_ueg -0.9155041E-03 Ec_ueg -0.2166789E-03 Delta_ex -0.1100220E-02 Delta_ec 0.3826888E-03 Delta_et -0.2420752E-02 Pxc 0.4225165E+01 Qxc -0.2874973E+01 3,+1 121 3 -1 -0.541445 1.790088 -2.729334 Rho 0.1344276E+00 |GRAD(Rho)| 0.1260465E-14 GRAD(Rho)x 0.9098625E-15 GRAD(Rho)y 0.8630791E-15 GRAD(Rho)z 0.1265535E-15 Laplacian 0.5688674E+00 (-1/4)Del**2(Rho)) -0.1422168E+00 Diamond 0.1007070E+01 Metallicity 0.4273166E+01 Ellipticity 0.9514393E-02 Gb(Abramov) 0.1960973E+00 Vb(Abramov) -0.2499777E+00 Hb(Abramov) -0.5388042E-01 Ex_ueg -0.5085924E-01 Ec_ueg -0.7454241E-02 Delta_ex -0.5943811E-01 Delta_ec 0.1475321E-01 Delta_et -0.1930864E+00 Pxc 0.6822860E+01 Qxc -0.4028826E+01 3,-1 122 3 +1 -0.024642 -2.244174 -1.012611 Rho 0.6344484E-02 |GRAD(Rho)| 0.3305323E-17 GRAD(Rho)x 0.3227881E-17 GRAD(Rho)y 0.4620824E-18 GRAD(Rho)z -0.5407641E-18 Laplacian 0.2452853E-01 (-1/4)Del**2(Rho)) -0.6132132E-02 Diamond 0.8300635E-03 Metallicity 0.6108512E+00 Ellipticity -0.1736648E+02 Gb(Abramov) 0.4712391E-02 Vb(Abramov) -0.3292651E-02 Hb(Abramov) 0.1419741E-02 Ex_ueg -0.8674546E-03 Ec_ueg -0.2052225E-03 Delta_ex -0.1306338E-02 Delta_ec 0.8231033E-03 Delta_et -0.4780894E-02 Pxc 0.4226899E+01 Qxc -0.1587089E+01 3,+1 123 3 +3 -0.136427 -2.412256 -0.151500 Rho 0.3974485E-02 |GRAD(Rho)| 0.1764663E-14 GRAD(Rho)x -0.1078825E-14 GRAD(Rho)y -0.4270918E-15 GRAD(Rho)z 0.1329573E-14 Laplacian 0.1599434E-01 (-1/4)Del**2(Rho)) -0.3998584E-02 Diamond 0.9917323E-04 Metallicity 0.4296503E+00 Ellipticity -0.3332148E+00 Gb(Abramov) 0.2952055E-02 Vb(Abramov) -0.1905526E-02 Hb(Abramov) 0.1046529E-02 Ex_ueg -0.4649714E-03 Ec_ueg -0.1030512E-03 Delta_ex -0.5408758E-03 Delta_ec 0.1099856E-03 Delta_et -0.7196103E-03 Pxc 0.4512041E+01 Qxc -0.4917696E+01 3,+3 124 3 +1 1.666216 0.484438 0.538967 Rho 0.6810190E-02 |GRAD(Rho)| 0.8008692E-14 GRAD(Rho)x -0.4390889E-14 GRAD(Rho)y 0.3914292E-15 GRAD(Rho)z -0.6686257E-14 Laplacian 0.2640355E-01 (-1/4)Del**2(Rho)) -0.6600889E-02 Diamond 0.5505993E-03 Metallicity 0.6385813E+00 Ellipticity -0.1432722E+01 Gb(Abramov) 0.5103126E-02 Vb(Abramov) -0.3605364E-02 Hb(Abramov) 0.1497762E-02 Ex_ueg -0.9533757E-03 Ec_ueg -0.2256256E-03 Delta_ex -0.1160032E-02 Delta_ec 0.4113147E-03 Delta_et -0.2612119E-02 Pxc 0.4225477E+01 Qxc -0.2820303E+01 3,+1 125 3 -1 -0.052021 3.201359 -3.115630 Rho 0.2399484E+00 |GRAD(Rho)| 0.7294994E-15 GRAD(Rho)x -0.1207530E-15 GRAD(Rho)y 0.3833739E-15 GRAD(Rho)z -0.6087795E-15 Laplacian 0.8919482E+00 (-1/4)Del**2(Rho)) -0.2229871E+00 Diamond 0.3138671E+01 Metallicity 0.7158191E+01 Ellipticity 0.1540926E-02 Gb(Abramov) 0.4146887E+00 Vb(Abramov) -0.6063903E+00 Hb(Abramov) -0.1917016E+00 Ex_ueg -0.1101224E+00 Ec_ueg -0.1443555E-01 Delta_ex -0.1076791E+00 Delta_ec 0.1956180E-01 Delta_et -0.2703302E+00 Pxc 0.7628555E+01 Qxc -0.5504562E+01 3,-1 126 3 -1 0.115344 3.256806 3.139964 Rho 0.2261172E+00 |GRAD(Rho)| 0.1511631E-15 GRAD(Rho)x -0.1954274E-16 GRAD(Rho)y -0.1265806E-15 GRAD(Rho)z -0.8028517E-16 Laplacian 0.8158347E+00 (-1/4)Del**2(Rho)) -0.2039587E+00 Diamond 0.2696176E+01 Metallicity 0.7088709E+01 Ellipticity 0.1816287E-02 Gb(Abramov) 0.3769397E+00 Vb(Abramov) -0.5499207E+00 Hb(Abramov) -0.1729810E+00 Ex_ueg -0.1017411E+00 Ec_ueg -0.1348472E-01 Delta_ex -0.9711262E-01 Delta_ec 0.1844669E-01 Delta_et -0.2553211E+00 Pxc 0.7544921E+01 Qxc -0.5264502E+01 3,-1 127 3 -1 0.395745 -0.554035 0.396875 Rho 0.1795172E+00 |GRAD(Rho)| 0.2639745E-15 GRAD(Rho)x -0.3816392E-16 GRAD(Rho)y 0.2012279E-15 GRAD(Rho)z -0.1665335E-15 Laplacian 0.4721583E+00 (-1/4)Del**2(Rho)) -0.1180396E+00 Diamond 0.1213065E+01 Metallicity 0.8337500E+01 Ellipticity 0.8551186E-02 Gb(Abramov) 0.2427189E+00 Vb(Abramov) -0.3673982E+00 Hb(Abramov) -0.1246793E+00 Ex_ueg -0.7479283E-01 Ec_ueg -0.1035912E-01 Delta_ex -0.5322484E-01 Delta_ec 0.1180430E-01 Delta_et -0.1617201E+00 Pxc 0.7219999E+01 Qxc -0.4508938E+01 3,-1 128 3 -1 0.420547 0.388506 -0.537804 Rho 0.1765955E+00 |GRAD(Rho)| 0.2227193E-14 GRAD(Rho)x -0.1342676E-14 GRAD(Rho)y -0.1151856E-14 GRAD(Rho)z 0.1353084E-14 Laplacian 0.4582918E+00 (-1/4)Del**2(Rho)) -0.1145729E+00 Diamond 0.1153966E+01 Metallicity 0.8358031E+01 Ellipticity 0.5494733E-02 Gb(Abramov) 0.2359827E+00 Vb(Abramov) -0.3573924E+00 Hb(Abramov) -0.1214097E+00 Ex_ueg -0.7317421E-01 Ec_ueg -0.1016723E-01 Delta_ex -0.5144635E-01 Delta_ec 0.1149919E-01 Delta_et -0.1572192E+00 Pxc 0.7197065E+01 Qxc -0.4473911E+01 3,-1 129 3 +1 1.182320 -1.249679 2.163031 Rho 0.2380439E-01 |GRAD(Rho)| 0.1474931E-14 GRAD(Rho)x 0.1415517E-14 GRAD(Rho)y 0.1171432E-15 GRAD(Rho)z -0.3975055E-15 Laplacian 0.9384090E-01 (-1/4)Del**2(Rho)) -0.2346023E-01 Diamond 0.1285960E-01 Metallicity 0.1446492E+01 Ellipticity -0.8627131E+01 Gb(Abramov) 0.2129599E-01 Vb(Abramov) -0.1913175E-01 Hb(Abramov) 0.2164237E-02 Ex_ueg -0.5057405E-02 Ec_ueg -0.1028707E-02 Delta_ex -0.5921403E-02 Delta_ec 0.1879470E-02 Delta_et -0.1631575E-01 Pxc 0.4916272E+01 Qxc -0.3150571E+01 3,+1 130 3 -1 -0.057054 0.028587 2.949949 Rho 0.5665447E-02 |GRAD(Rho)| 0.1805906E-15 GRAD(Rho)x -0.1663316E-15 GRAD(Rho)y 0.6934554E-16 GRAD(Rho)z 0.1174515E-16 Laplacian 0.2273510E-01 (-1/4)Del**2(Rho)) -0.5683776E-02 Diamond 0.7317416E-03 Metallicity 0.5457242E+00 Ellipticity 0.2455789E+01 Gb(Abramov) 0.4306146E-02 Vb(Abramov) -0.2928516E-02 Hb(Abramov) 0.1377630E-02 Ex_ueg -0.7459286E-03 Ec_ueg -0.1756611E-03 Delta_ex -0.1240390E-02 Delta_ec 0.8626363E-03 Delta_et -0.4805351E-02 Pxc 0.4246407E+01 Qxc -0.1437906E+01 3,-1 131 3 -1 0.855813 -3.018650 2.039103 Rho 0.1410741E+00 |GRAD(Rho)| 0.1251109E-13 GRAD(Rho)x 0.2272976E-14 GRAD(Rho)y 0.8116656E-14 GRAD(Rho)z -0.9245588E-14 Laplacian 0.5492911E+00 (-1/4)Del**2(Rho)) -0.1373228E+00 Diamond 0.1021993E+01 Metallicity 0.4796113E+01 Ellipticity 0.7337412E-01 Gb(Abramov) 0.2013178E+00 Vb(Abramov) -0.2653128E+00 Hb(Abramov) -0.6399500E-01 Ex_ueg -0.5423939E-01 Ec_ueg -0.7874599E-02 Delta_ex -0.5797891E-01 Delta_ec 0.1391602E-01 Delta_et -0.1831260E+00 Pxc 0.6887892E+01 Qxc -0.4166342E+01 3,-1 132 3 +1 2.129972 -1.270721 1.183143 Rho 0.2640080E-01 |GRAD(Rho)| 0.2219589E-15 GRAD(Rho)x 0.2945948E-16 GRAD(Rho)y -0.1172035E-16 GRAD(Rho)z -0.2196828E-15 Laplacian 0.1085681E+00 (-1/4)Del**2(Rho)) -0.2714203E-01 Diamond 0.1773441E-01 Metallicity 0.1485728E+01 Ellipticity -0.2282675E+02 Gb(Abramov) 0.2481563E-01 Vb(Abramov) -0.2248924E-01 Hb(Abramov) 0.2326398E-02 Ex_ueg -0.5805966E-02 Ec_ueg -0.1159498E-02 Delta_ex -0.7096769E-02 Delta_ec 0.2280101E-02 Delta_et -0.2031169E-01 Pxc 0.5007312E+01 Qxc -0.3112480E+01 3,+1 133 3 -1 0.534886 1.677227 -1.716828 Rho 0.5378327E-01 |GRAD(Rho)| 0.9712381E-12 GRAD(Rho)x 0.3274219E-12 GRAD(Rho)y -0.6891554E-12 GRAD(Rho)z 0.6009685E-12 Laplacian 0.2160577E+00 (-1/4)Del**2(Rho)) -0.5401441E-01 Diamond 0.1199122E+00 Metallicity 0.2444118E+01 Ellipticity 0.1350365E-01 Gb(Abramov) 0.5801254E-01 Vb(Abramov) -0.6201068E-01 Hb(Abramov) -0.3998130E-02 Ex_ueg -0.1499390E-01 Ec_ueg -0.2625042E-02 Delta_ex -0.1807446E-01 Delta_ec 0.6362172E-02 Delta_et -0.6834495E-01 Pxc 0.5711871E+01 Qxc -0.2840927E+01 3,-1 134 3 -1 0.875319 2.007043 -2.948959 Rho 0.1407468E+00 |GRAD(Rho)| 0.2963630E-12 GRAD(Rho)x 0.2277857E-12 GRAD(Rho)y -0.1363982E-12 GRAD(Rho)z -0.1316823E-12 Laplacian 0.5555025E+00 (-1/4)Del**2(Rho)) -0.1388756E+00 Diamond 0.1041794E+01 Metallicity 0.4724159E+01 Ellipticity 0.5425515E-01 Gb(Abramov) 0.2019288E+00 Vb(Abramov) -0.2649820E+00 Hb(Abramov) -0.6305321E-01 Ex_ueg -0.5407165E-01 Ec_ueg -0.7853830E-02 Delta_ex -0.5872185E-01 Delta_ec 0.1429681E-01 Delta_et -0.1885333E+00 Pxc 0.6884749E+01 Qxc -0.4107340E+01 3,-1 135 3 -1 0.562388 1.853435 2.713354 Rho 0.1388411E+00 |GRAD(Rho)| 0.6569023E-15 GRAD(Rho)x -0.9233337E-16 GRAD(Rho)y 0.6501147E-15 GRAD(Rho)z -0.1860084E-16 Laplacian 0.5704647E+00 (-1/4)Del**2(Rho)) -0.1426162E+00 Diamond 0.1040326E+01 Metallicity 0.4496910E+01 Ellipticity 0.9474531E-02 Gb(Abramov) 0.2019662E+00 Vb(Abramov) -0.2613161E+00 Hb(Abramov) -0.5934997E-01 Ex_ueg -0.5309769E-01 Ec_ueg -0.7733054E-02 Delta_ex -0.5996943E-01 Delta_ec 0.1449119E-01 Delta_et -0.1902110E+00 Pxc 0.6866329E+01 Qxc -0.4138337E+01 3,-1 136 3 +1 1.739523 1.822980 1.751561 Rho 0.1190959E-01 |GRAD(Rho)| 0.4243307E-13 GRAD(Rho)x 0.3112692E-13 GRAD(Rho)y 0.2480628E-14 GRAD(Rho)z -0.2873198E-13 Laplacian 0.5823507E-01 (-1/4)Del**2(Rho)) -0.1455877E-01 Diamond 0.2294522E-02 Metallicity 0.7349483E+00 Ellipticity -0.1274260E+01 Gb(Abramov) 0.1148917E-01 Vb(Abramov) -0.8419570E-02 Hb(Abramov) 0.3069599E-02 Ex_ueg -0.2008696E-02 Ec_ueg -0.4553971E-03 Delta_ex -0.2852461E-02 Delta_ec 0.7481290E-03 Delta_et -0.5605339E-02 Pxc 0.4410868E+01 Qxc -0.3812793E+01 3,+1 137 3 -1 1.391705 -2.124128 -2.110473 Rho 0.6042873E-02 |GRAD(Rho)| 0.1362497E-15 GRAD(Rho)x 0.5444117E-16 GRAD(Rho)y 0.1198347E-15 GRAD(Rho)z -0.3521044E-16 Laplacian 0.2519531E-01 (-1/4)Del**2(Rho)) -0.6298829E-02 Diamond 0.9198352E-03 Metallicity 0.5483181E+00 Ellipticity 0.3558015E+01 Gb(Abramov) 0.4774846E-02 Vb(Abramov) -0.3250863E-02 Hb(Abramov) 0.1523983E-02 Ex_ueg -0.8129111E-03 Ec_ueg -0.1920643E-03 Delta_ex -0.1416667E-02 Delta_ec 0.1001684E-02 Delta_et -0.5675748E-02 Pxc 0.4232494E+01 Qxc -0.1414286E+01 3,-1 138 3 +1 1.082181 -2.220064 1.351676 Rho 0.2891577E-01 |GRAD(Rho)| 0.1206092E-13 GRAD(Rho)x 0.8411139E-14 GRAD(Rho)y -0.2602533E-14 GRAD(Rho)z -0.8242891E-14 Laplacian 0.1175848E+00 (-1/4)Del**2(Rho)) -0.2939619E-01 Diamond 0.1943896E-01 Metallicity 0.1596443E+01 Ellipticity -0.5119960E+01 Gb(Abramov) 0.2741902E-01 Vb(Abramov) -0.2544184E-01 Hb(Abramov) 0.1977175E-02 Ex_ueg -0.6554880E-02 Ec_ueg -0.1287818E-02 Delta_ex -0.7662227E-02 Delta_ec 0.2098691E-02 Delta_et -0.1917589E-01 Pxc 0.5089911E+01 Qxc -0.3650955E+01 3,+1 139 3 -1 0.791875 -2.009649 3.004251 Rho 0.1068504E+00 |GRAD(Rho)| 0.2525175E-14 GRAD(Rho)x -0.1710017E-14 GRAD(Rho)y -0.1776550E-14 GRAD(Rho)z 0.5442593E-15 Laplacian 0.4153393E+00 (-1/4)Del**2(Rho)) -0.1038348E+00 Diamond 0.5552561E+00 Metallicity 0.3991815E+01 Ellipticity 0.2644668E-01 Gb(Abramov) 0.1383048E+00 Vb(Abramov) -0.1727748E+00 Hb(Abramov) -0.3446996E-01 Ex_ueg -0.3744725E-01 Ec_ueg -0.5741861E-02 Delta_ex -0.4104123E-01 Delta_ec 0.1129265E-01 Delta_et -0.1419329E+00 Pxc 0.6521797E+01 Qxc -0.3634332E+01 3,-1 140 3 +3 1.893230 -1.905643 1.956955 Rho 0.1183599E-01 |GRAD(Rho)| 0.1916329E-14 GRAD(Rho)x -0.1129806E-14 GRAD(Rho)y 0.9783466E-15 GRAD(Rho)z -0.1199456E-14 Laplacian 0.5458609E-01 (-1/4)Del**2(Rho)) -0.1364652E-01 Diamond 0.1311785E-02 Metallicity 0.7760186E+00 Ellipticity -0.7906976E+00 Gb(Abramov) 0.1086267E-01 Vb(Abramov) -0.8078826E-02 Hb(Abramov) 0.2783848E-02 Ex_ueg -0.1992161E-02 Ec_ueg -0.4520030E-03 Delta_ex -0.2427784E-02 Delta_ec 0.2699472E-03 Delta_et -0.2356836E-02 Pxc 0.4407407E+01 Qxc -0.8993548E+01 3,+3 141 3 -1 0.868286 2.987130 -1.920755 Rho 0.1490171E+00 |GRAD(Rho)| 0.2436511E-15 GRAD(Rho)x 0.1286677E-15 GRAD(Rho)y 0.1688374E-15 GRAD(Rho)z 0.1196011E-15 Laplacian 0.5827294E+00 (-1/4)Del**2(Rho)) -0.1456823E+00 Diamond 0.1173158E+01 Metallicity 0.4953053E+01 Ellipticity 0.5149309E-01 Gb(Abramov) 0.2173836E+00 Vb(Abramov) -0.2890849E+00 Hb(Abramov) -0.7170127E-01 Ex_ueg -0.5834895E-01 Ec_ueg -0.8380622E-02 Delta_ex -0.6249416E-01 Delta_ec 0.1483705E-01 Delta_et -0.1973925E+00 Pxc 0.6962366E+01 Qxc -0.4212034E+01 3,-1 142 3 -1 0.615556 2.875298 1.765983 Rho 0.1696550E+00 |GRAD(Rho)| 0.1494431E-13 GRAD(Rho)x -0.9887219E-14 GRAD(Rho)y -0.2023297E-14 GRAD(Rho)z 0.1102186E-13 Laplacian 0.6921960E+00 (-1/4)Del**2(Rho)) -0.1730490E+00 Diamond 0.1598899E+01 Metallicity 0.5176012E+01 Ellipticity 0.3529840E-01 Gb(Abramov) 0.2646499E+00 Vb(Abramov) -0.3562509E+00 Hb(Abramov) -0.9160095E-01 Ex_ueg -0.6936504E-01 Ec_ueg -0.9713372E-02 Delta_ex -0.7640694E-01 Delta_ec 0.1661024E-01 Delta_et -0.2234946E+00 Pxc 0.7141191E+01 Qxc -0.4599991E+01 3,-1 143 3 +1 1.485802 2.093020 -0.998959 Rho 0.2425126E-01 |GRAD(Rho)| 0.1278257E-16 GRAD(Rho)x -0.1017395E-16 GRAD(Rho)y 0.5733423E-17 GRAD(Rho)z 0.5197366E-17 Laplacian 0.9315648E-01 (-1/4)Del**2(Rho)) -0.2328912E-01 Diamond 0.1014613E-01 Metallicity 0.1502994E+01 Ellipticity -0.2288519E+01 Gb(Abramov) 0.2135998E-01 Vb(Abramov) -0.1943085E-01 Hb(Abramov) 0.1929138E-02 Ex_ueg -0.5184388E-02 Ec_ueg -0.1051091E-02 Delta_ex -0.5573032E-02 Delta_ec 0.1270171E-02 Delta_et -0.1120736E-01 Pxc 0.4932389E+01 Qxc -0.4387623E+01 3,+1 144 3 +1 2.214651 1.064208 -1.397871 Rho 0.2305628E-01 |GRAD(Rho)| 0.3620036E-16 GRAD(Rho)x 0.3486458E-16 GRAD(Rho)y 0.1981734E-18 GRAD(Rho)z -0.9741029E-17 Laplacian 0.8900771E-01 (-1/4)Del**2(Rho)) -0.2225193E-01 Diamond 0.1060704E-01 Metallicity 0.1445998E+01 Ellipticity -0.3626489E+01 Gb(Abramov) 0.2019732E-01 Vb(Abramov) -0.1814272E-01 Hb(Abramov) 0.2054603E-02 Ex_ueg -0.4846602E-02 Ec_ueg -0.9913576E-03 Delta_ex -0.5441052E-02 Delta_ec 0.1552048E-02 Delta_et -0.1341806E-01 Pxc 0.4888853E+01 Qxc -0.3505725E+01 3,+1 145 3 +1 2.059507 1.991112 -1.984802 Rho 0.1163157E-01 |GRAD(Rho)| 0.1589597E-16 GRAD(Rho)x -0.7453989E-17 GRAD(Rho)y -0.1986116E-17 GRAD(Rho)z -0.1389875E-16 Laplacian 0.5403853E-01 (-1/4)Del**2(Rho)) -0.1350963E-01 Diamond 0.1633186E-02 Metallicity 0.7614481E+00 Ellipticity -0.1097919E+01 Gb(Abramov) 0.1072090E-01 Vb(Abramov) -0.7932172E-02 Hb(Abramov) 0.2788730E-02 Ex_ueg -0.1946419E-02 Ec_ueg -0.4425879E-03 Delta_ex -0.2501494E-02 Delta_ec 0.4639501E-03 Delta_et -0.3637846E-02 Pxc 0.4397813E+01 Qxc -0.5391730E+01 3,+1 146 3 -1 1.761200 -2.971650 -0.558537 Rho 0.2231587E+00 |GRAD(Rho)| 0.3195238E-15 GRAD(Rho)x -0.2436202E-15 GRAD(Rho)y -0.9931292E-16 GRAD(Rho)z -0.1813328E-15 Laplacian 0.8669482E+00 (-1/4)Del**2(Rho)) -0.2167371E+00 Diamond 0.2779713E+01 Metallicity 0.6525940E+01 Ellipticity 0.2105534E-01 Gb(Abramov) 0.3802269E+00 Vb(Abramov) -0.5437167E+00 Hb(Abramov) -0.1634898E+00 Ex_ueg -0.9997012E-01 Ec_ueg -0.1328270E-01 Delta_ex -0.1026089E+00 Delta_ec 0.1925405E-01 Delta_et -0.2646179E+00 Pxc 0.7526341E+01 Qxc -0.5329212E+01 3,-1 147 3 +3 1.992292 1.912698 -1.913542 Rho 0.1160761E-01 |GRAD(Rho)| 0.2020091E-14 GRAD(Rho)x -0.1246060E-14 GRAD(Rho)y -0.1205855E-14 GRAD(Rho)z 0.1036347E-14 Laplacian 0.5355764E-01 (-1/4)Del**2(Rho)) -0.1338941E-01 Diamond 0.1329982E-02 Metallicity 0.7656489E+00 Ellipticity -0.8680448E+00 Gb(Abramov) 0.1063487E-01 Vb(Abramov) -0.7880332E-02 Hb(Abramov) 0.2754539E-02 Ex_ueg -0.1941074E-02 Ec_ueg -0.4414853E-03 Delta_ex -0.2392007E-02 Delta_ec 0.3066160E-03 Delta_et -0.2584246E-02 Pxc 0.4396690E+01 Qxc -0.7801310E+01 3,+3 148 3 +1 2.002369 -2.001082 2.067108 Rho 0.1191196E-01 |GRAD(Rho)| 0.1736202E-16 GRAD(Rho)x -0.1360816E-17 GRAD(Rho)y 0.7250645E-17 GRAD(Rho)z 0.1571675E-16 Laplacian 0.5548207E-01 (-1/4)Del**2(Rho)) -0.1387052E-01 Diamond 0.1785932E-02 Metallicity 0.7716718E+00 Ellipticity -0.1135509E+01 Gb(Abramov) 0.1103093E-01 Vb(Abramov) -0.8191334E-02 Hb(Abramov) 0.2839591E-02 Ex_ueg -0.2009229E-02 Ec_ueg -0.4555063E-03 Delta_ex -0.2600816E-02 Delta_ec 0.5039764E-03 Delta_et -0.3938958E-02 Pxc 0.4410979E+01 Qxc -0.5160591E+01 3,+1 149 3 -1 1.639199 -1.796449 0.449273 Rho 0.5337970E-01 |GRAD(Rho)| 0.1214872E-15 GRAD(Rho)x 0.7711049E-16 GRAD(Rho)y -0.8663792E-16 GRAD(Rho)z -0.3615221E-16 Laplacian 0.2118817E+00 (-1/4)Del**2(Rho)) -0.5297044E-01 Diamond 0.1175572E+00 Metallicity 0.2461198E+01 Ellipticity 0.1483167E-01 Gb(Abramov) 0.5704208E-01 Vb(Abramov) -0.6111372E-01 Hb(Abramov) -0.4071644E-02 Ex_ueg -0.1484408E-01 Ec_ueg -0.2602526E-02 Delta_ex -0.1773715E-01 Delta_ec 0.6321431E-02 Delta_et -0.6780419E-01 Pxc 0.5703720E+01 Qxc -0.2805875E+01 3,-1 150 3 -1 1.687113 -0.611425 1.723857 Rho 0.3523986E-01 |GRAD(Rho)| 0.2813034E-16 GRAD(Rho)x 0.1341647E-16 GRAD(Rho)y 0.2446639E-16 GRAD(Rho)z -0.3565162E-17 Laplacian 0.1449921E+00 (-1/4)Del**2(Rho)) -0.3624802E-01 Diamond 0.4599571E-01 Metallicity 0.1800221E+01 Ellipticity 0.6077234E-01 Gb(Abramov) 0.3504109E-01 Vb(Abramov) -0.3383416E-01 Hb(Abramov) 0.1206932E-02 Ex_ueg -0.8532913E-02 Ec_ueg -0.1616919E-02 Delta_ex -0.1096245E-01 Delta_ec 0.4369190E-02 Delta_et -0.4195423E-01 Pxc 0.5277265E+01 Qxc -0.2509036E+01 3,-1 151 3 -1 1.942322 -0.862875 3.046162 Rho 0.1522576E+00 |GRAD(Rho)| 0.2547356E-15 GRAD(Rho)x 0.1482375E-15 GRAD(Rho)y -0.2017971E-15 GRAD(Rho)z 0.4683753E-16 Laplacian 0.5913895E+00 (-1/4)Del**2(Rho)) -0.1478474E+00 Diamond 0.1211469E+01 Metallicity 0.5058686E+01 Ellipticity 0.6176587E-01 Gb(Abramov) 0.2232172E+00 Vb(Abramov) -0.2985869E+00 Hb(Abramov) -0.7536978E-01 Ex_ueg -0.6004685E-01 Ec_ueg -0.8588188E-02 Delta_ex -0.6365879E-01 Delta_ec 0.1479791E-01 Delta_et -0.1970388E+00 Pxc 0.6991796E+01 Qxc -0.4301876E+01 3,-1 152 3 -1 1.837681 -0.645589 -3.050941 Rho 0.2385262E+00 |GRAD(Rho)| 0.8820767E-14 GRAD(Rho)x 0.4499439E-16 GRAD(Rho)y 0.8763986E-14 GRAD(Rho)z -0.9982249E-15 Laplacian 0.9054597E+00 (-1/4)Del**2(Rho)) -0.2263649E+00 Diamond 0.3153917E+01 Metallicity 0.6981855E+01 Ellipticity 0.1164069E-01 Gb(Abramov) 0.4143178E+00 Vb(Abramov) -0.6022707E+00 Hb(Abramov) -0.1879529E+00 Ex_ueg -0.1092529E+00 Ec_ueg -0.1433729E-01 Delta_ex -0.1090891E+00 Delta_ec 0.1980142E-01 Delta_et -0.2731849E+00 Pxc 0.7620193E+01 Qxc -0.5509157E+01 3,-1 153 3 -1 1.967614 -3.011300 0.867884 Rho 0.1232491E+00 |GRAD(Rho)| 0.1697523E-14 GRAD(Rho)x 0.9917672E-15 GRAD(Rho)y 0.4459459E-16 GRAD(Rho)z -0.1376950E-14 Laplacian 0.4730519E+00 (-1/4)Del**2(Rho)) -0.1182630E+00 Diamond 0.7680850E+00 Metallicity 0.4446421E+01 Ellipticity 0.2569353E-01 Gb(Abramov) 0.1664831E+00 Vb(Abramov) -0.2147033E+00 Hb(Abramov) -0.4822016E-01 Ex_ueg -0.4529984E-01 Ec_ueg -0.6753770E-02 Delta_ex -0.4857942E-01 Delta_ec 0.1283962E-01 Delta_et -0.1662260E+00 Pxc 0.6707341E+01 Qxc -0.3783556E+01 3,-1 154 3 -1 1.804164 1.671757 -0.584653 Rho 0.3254638E-01 |GRAD(Rho)| 0.3653425E-15 GRAD(Rho)x 0.3509777E-15 GRAD(Rho)y 0.5127927E-16 GRAD(Rho)z -0.8752249E-16 Laplacian 0.1328378E+00 (-1/4)Del**2(Rho)) -0.3320944E-01 Diamond 0.3783350E-01 Metallicity 0.1721060E+01 Ellipticity 0.2302949E-01 Gb(Abramov) 0.3166554E-01 Vb(Abramov) -0.3012163E-01 Hb(Abramov) 0.1543905E-02 Ex_ueg -0.7674593E-02 Ec_ueg -0.1475685E-02 Delta_ex -0.9851372E-02 Delta_ec 0.4006198E-02 Delta_et -0.3763538E-01 Pxc 0.5200698E+01 Qxc -0.2459033E+01 3,-1 155 3 +1 2.906955 -0.075450 0.131793 Rho 0.4640956E-02 |GRAD(Rho)| 0.1469977E-13 GRAD(Rho)x 0.5678999E-14 GRAD(Rho)y -0.1338995E-13 GRAD(Rho)z 0.2131046E-14 Laplacian 0.1872660E-01 (-1/4)Del**2(Rho)) -0.4681650E-02 Diamond 0.4089706E-03 Metallicity 0.4751527E+00 Ellipticity -0.3564757E+01 Gb(Abramov) 0.3491850E-02 Vb(Abramov) -0.2302050E-02 Hb(Abramov) 0.1189800E-02 Ex_ueg -0.5717352E-03 Ec_ueg -0.1314945E-03 Delta_ex -0.9320898E-03 Delta_ec 0.6151043E-03 Delta_et -0.3256197E-02 Pxc 0.4347977E+01 Qxc -0.1515336E+01 3,+1 156 3 -1 2.063358 2.964471 -0.829947 Rho 0.1188274E+00 |GRAD(Rho)| 0.2614770E-15 GRAD(Rho)x 0.2157291E-15 GRAD(Rho)y 0.7616859E-16 GRAD(Rho)z 0.1266077E-15 Laplacian 0.4582122E+00 (-1/4)Del**2(Rho)) -0.1145531E+00 Diamond 0.6979946E+00 Metallicity 0.4319243E+01 Ellipticity 0.2612150E-01 Gb(Abramov) 0.1588324E+00 Vb(Abramov) -0.2031118E+00 Hb(Abramov) -0.4427939E-01 Ex_ueg -0.4314601E-01 Ec_ueg -0.6479037E-02 Delta_ex -0.4645811E-01 Delta_ec 0.1220253E-01 Delta_et -0.1564203E+00 Pxc 0.6659324E+01 Qxc -0.3807253E+01 3,-1 157 3 -1 1.899981 2.809991 0.537882 Rho 0.9037921E-01 |GRAD(Rho)| 0.2060266E-15 GRAD(Rho)x -0.8301601E-16 GRAD(Rho)y -0.2073198E-16 GRAD(Rho)z -0.1874179E-15 Laplacian 0.3743782E+00 (-1/4)Del**2(Rho)) -0.9359455E-01 Diamond 0.4100534E+00 Metallicity 0.3350298E+01 Ellipticity 0.1003876E-01 Gb(Abramov) 0.1146580E+00 Vb(Abramov) -0.1357214E+00 Hb(Abramov) -0.2106343E-01 Ex_ueg -0.2995549E-01 Ec_ueg -0.4746042E-02 Delta_ex -0.3560079E-01 Delta_ec 0.1060044E-01 Delta_et -0.1289087E+00 Pxc 0.6311678E+01 Qxc -0.3358427E+01 3,-1 158 3 -1 2.694920 -0.626237 -1.867399 Rho 0.1365096E+00 |GRAD(Rho)| 0.1782798E-15 GRAD(Rho)x -0.1048424E-15 GRAD(Rho)y -0.8066464E-16 GRAD(Rho)z -0.1195197E-15 Laplacian 0.5602467E+00 (-1/4)Del**2(Rho)) -0.1400617E+00 Diamond 0.1020185E+01 Metallicity 0.4451497E+01 Ellipticity 0.6155981E-02 Gb(Abramov) 0.1972885E+00 Vb(Abramov) -0.2545153E+00 Hb(Abramov) -0.5722680E-01 Ex_ueg -0.5191221E-01 Ec_ueg -0.7585612E-02 Delta_ex -0.5886788E-01 Delta_ec 0.1467521E-01 Delta_et -0.1929255E+00 Pxc 0.6843509E+01 Qxc -0.4011384E+01 3,-1 159 3 -1 1.954984 0.818353 -3.040869 Rho 0.1333298E+00 |GRAD(Rho)| 0.4860136E-15 GRAD(Rho)x 0.3373224E-15 GRAD(Rho)y -0.3285539E-15 GRAD(Rho)z 0.1203126E-15 Laplacian 0.5102982E+00 (-1/4)Del**2(Rho)) -0.1275746E+00 Diamond 0.9094580E+00 Metallicity 0.4698954E+01 Ellipticity 0.3050637E-01 Gb(Abramov) 0.1849609E+00 Vb(Abramov) -0.2423472E+00 Hb(Abramov) -0.5738630E-01 Ex_ueg -0.5030618E-01 Ec_ueg -0.7385081E-02 Delta_ex -0.5338669E-01 Delta_ec 0.1357116E-01 Delta_et -0.1779927E+00 Pxc 0.6811866E+01 Qxc -0.3933834E+01 3,-1 160 3 -1 2.750682 0.559384 1.864745 Rho 0.1046903E+00 |GRAD(Rho)| 0.1463016E-13 GRAD(Rho)x -0.5677857E-14 GRAD(Rho)y 0.2664650E-14 GRAD(Rho)z -0.1321753E-13 Laplacian 0.4375553E+00 (-1/4)Del**2(Rho)) -0.1093888E+00 Diamond 0.5719733E+00 Metallicity 0.3662331E+01 Ellipticity 0.1040013E-01 Gb(Abramov) 0.1396956E+00 Vb(Abramov) -0.1700023E+00 Hb(Abramov) -0.3030674E-01 Ex_ueg -0.3644128E-01 Ec_ueg -0.5610039E-02 Delta_ex -0.4304922E-01 Delta_ec 0.1198715E-01 Delta_et -0.1501269E+00 Pxc 0.6495727E+01 Qxc -0.3591280E+01 3,-1 161 3 -1 1.762264 0.533555 2.776670 Rho 0.1185262E+00 |GRAD(Rho)| 0.8903047E-13 GRAD(Rho)x 0.6303082E-13 GRAD(Rho)y -0.6189682E-13 GRAD(Rho)z -0.1106003E-13 Laplacian 0.4901832E+00 (-1/4)Del**2(Rho)) -0.1225458E+00 Diamond 0.7385220E+00 Metallicity 0.4020490E+01 Ellipticity 0.1563164E-01 Gb(Abramov) 0.1638129E+00 Vb(Abramov) -0.2050800E+00 Hb(Abramov) -0.4126709E-01 Ex_ueg -0.4300026E-01 Ec_ueg -0.6460373E-02 Delta_ex -0.4958913E-01 Delta_ec 0.1291807E-01 Delta_et -0.1652859E+00 Pxc 0.6656003E+01 Qxc -0.3838741E+01 3,-1 162 3 -1 2.972895 0.804439 -2.042935 Rho 0.6905501E-01 |GRAD(Rho)| 0.8527118E-13 GRAD(Rho)x 0.3053992E-13 GRAD(Rho)y -0.4130894E-13 GRAD(Rho)z -0.6805923E-13 Laplacian 0.2749510E+00 (-1/4)Del**2(Rho)) -0.6873776E-01 Diamond 0.2150098E+00 Metallicity 0.2913063E+01 Ellipticity 0.1054257E-02 Gb(Abramov) 0.7919807E-01 Vb(Abramov) -0.8965839E-01 Hb(Abramov) -0.1046032E-01 Ex_ueg -0.2092403E-01 Ec_ueg -0.3492500E-02 Delta_ex -0.2453886E-01 Delta_ec 0.8112941E-02 Delta_et -0.9282274E-01 Pxc 0.5991133E+01 Qxc -0.3024656E+01 3,-1 163 3 -1 2.915739 -1.978783 0.821180 Rho 0.8416264E-01 |GRAD(Rho)| 0.2645803E-15 GRAD(Rho)x -0.5430498E-16 GRAD(Rho)y -0.2051039E-15 GRAD(Rho)z -0.1580699E-15 Laplacian 0.3325464E+00 (-1/4)Del**2(Rho)) -0.8313660E-01 Diamond 0.3332308E+00 Metallicity 0.3349344E+01 Ellipticity 0.4617952E-02 Gb(Abramov) 0.1018333E+00 Vb(Abramov) -0.1205299E+00 Hb(Abramov) -0.1869665E-01 Ex_ueg -0.2724023E-01 Ec_ueg -0.4376128E-02 Delta_ex -0.3109119E-01 Delta_ec 0.9523975E-02 Delta_et -0.1140369E+00 Pxc 0.6224734E+01 Qxc -0.3264518E+01 3,-1 164 3 -1 2.689662 -1.829057 -0.615452 Rho 0.1422570E+00 |GRAD(Rho)| 0.7585122E-12 GRAD(Rho)x -0.1385899E-12 GRAD(Rho)y -0.5884907E-12 GRAD(Rho)z 0.4580527E-12 Laplacian 0.5885124E+00 (-1/4)Del**2(Rho)) -0.1471281E+00 Diamond 0.1121578E+01 Metallicity 0.4539208E+01 Ellipticity 0.6824006E-02 Gb(Abramov) 0.2093929E+00 Vb(Abramov) -0.2716577E+00 Hb(Abramov) -0.6226480E-01 Ex_ueg -0.5484660E-01 Ec_ueg -0.7949705E-02 Delta_ex -0.6241238E-01 Delta_ec 0.1517631E-01 Delta_et -0.2005972E+00 Pxc 0.6899200E+01 Qxc -0.4112488E+01 3,-1 165 3 -1 2.958672 -0.840188 2.034955 Rho 0.1682601E+00 |GRAD(Rho)| 0.4902053E-15 GRAD(Rho)x -0.4512992E-16 GRAD(Rho)y -0.4158186E-15 GRAD(Rho)z -0.2556549E-15 Laplacian 0.6463817E+00 (-1/4)Del**2(Rho)) -0.1615954E+00 Diamond 0.1488472E+01 Metallicity 0.5467131E+01 Ellipticity 0.5991271E-01 Gb(Abramov) 0.2549742E+00 Vb(Abramov) -0.3483529E+00 Hb(Abramov) -0.9337874E-01 Ex_ueg -0.6860567E-01 Ec_ueg -0.9622496E-02 Delta_ex -0.7128878E-01 Delta_ec 0.1569886E-01 Delta_et -0.2114698E+00 Pxc 0.7129717E+01 Qxc -0.4541017E+01 3,-1 166 3 -1 3.201765 -0.091595 -3.242410 Rho 0.2327389E+00 |GRAD(Rho)| 0.9107502E-11 GRAD(Rho)x 0.7271934E-11 GRAD(Rho)y -0.6075694E-12 GRAD(Rho)z -0.5449442E-11 Laplacian 0.8556445E+00 (-1/4)Del**2(Rho)) -0.2139111E+00 Diamond 0.2915386E+01 Metallicity 0.7091990E+01 Ellipticity 0.1896922E-01 Gb(Abramov) 0.3954500E+00 Vb(Abramov) -0.5769889E+00 Hb(Abramov) -0.1815389E+00 Ex_ueg -0.1057330E+00 Ec_ueg -0.1393862E-01 Delta_ex -0.1025493E+00 Delta_ec 0.1906428E-01 Delta_et -0.2637248E+00 Pxc 0.7585612E+01 Qxc -0.5379131E+01 3,-1 167 3 -1 3.140544 0.034583 3.257617 Rho 0.2282208E+00 |GRAD(Rho)| 0.5005897E-14 GRAD(Rho)x -0.4322822E-14 GRAD(Rho)y 0.2521719E-14 GRAD(Rho)z -0.1146544E-15 Laplacian 0.8169073E+00 (-1/4)Del**2(Rho)) -0.2042268E+00 Diamond 0.2734980E+01 Metallicity 0.7189507E+01 Ellipticity 0.5368192E-02 Gb(Abramov) 0.3808663E+00 Vb(Abramov) -0.5575057E+00 Hb(Abramov) -0.1766394E+00 Ex_ueg -0.1030051E+00 Ec_ueg -0.1362865E-01 Delta_ex -0.9750261E-01 Delta_ec 0.1847268E-01 Delta_et -0.2560112E+00 Pxc 0.7557981E+01 Qxc -0.5278205E+01 3,-1 168 3 -1 3.169698 -3.194052 -0.079902 Rho 0.2336157E+00 |GRAD(Rho)| 0.6357427E-15 GRAD(Rho)x 0.4732542E-15 GRAD(Rho)y -0.3987696E-15 GRAD(Rho)z -0.1455406E-15 Laplacian 0.8684151E+00 (-1/4)Del**2(Rho)) -0.2171038E+00 Diamond 0.2962809E+01 Metallicity 0.7031627E+01 Ellipticity 0.1504764E-01 Gb(Abramov) 0.3991680E+00 Vb(Abramov) -0.5812322E+00 Hb(Abramov) -0.1820642E+00 Ex_ueg -0.1062644E+00 Ec_ueg -0.1399890E-01 Delta_ex -0.1041293E+00 Delta_ec 0.1923388E-01 Delta_et -0.2657125E+00 Pxc 0.7590909E+01 Qxc -0.5413849E+01 3,-1 169 3 -1 2.839458 1.821478 0.572890 Rho 0.1527115E+00 |GRAD(Rho)| 0.3608947E-13 GRAD(Rho)x -0.6483078E-14 GRAD(Rho)y 0.1970536E-13 GRAD(Rho)z -0.2953165E-13 Laplacian 0.6299381E+00 (-1/4)Del**2(Rho)) -0.1574845E+00 Diamond 0.1280349E+01 Metallicity 0.4772745E+01 Ellipticity 0.2920537E-01 Gb(Abramov) 0.2302619E+00 Vb(Abramov) -0.3030393E+00 Hb(Abramov) -0.7277739E-01 Ex_ueg -0.6028566E-01 Ec_ueg -0.8617314E-02 Delta_ex -0.6771505E-01 Delta_ec 0.1549530E-01 Delta_et -0.2057959E+00 Pxc 0.6995876E+01 Qxc -0.4370038E+01 3,-1 170 3 -1 3.102528 1.994452 -0.861338 Rho 0.1835470E+00 |GRAD(Rho)| 0.4404926E-14 GRAD(Rho)x -0.1345752E-14 GRAD(Rho)y 0.2605880E-14 GRAD(Rho)z 0.3286596E-14 Laplacian 0.7019919E+00 (-1/4)Del**2(Rho)) -0.1754980E+00 Diamond 0.1795350E+01 Metallicity 0.5819155E+01 Ellipticity 0.5779904E-01 Gb(Abramov) 0.2872070E+00 Vb(Abramov) -0.3989160E+00 Hb(Abramov) -0.1117090E+00 Ex_ueg -0.7703974E-01 Ec_ueg -0.1062459E-01 Delta_ex -0.7914116E-01 Delta_ec 0.1667562E-01 Delta_et -0.2267321E+00 Pxc 0.7251080E+01 Qxc -0.4745921E+01 3,-1 171 3 -1 -2.824178 1.744172 -0.541308 Rho 0.1899997E+00 |GRAD(Rho)| 0.6724937E-14 GRAD(Rho)x 0.7137032E-15 GRAD(Rho)y 0.5031321E-14 GRAD(Rho)z 0.4404680E-14 Laplacian 0.7673447E+00 (-1/4)Del**2(Rho)) -0.1918362E+00 Diamond 0.2016601E+01 Metallicity 0.5639113E+01 Ellipticity 0.2616683E-01 Gb(Abramov) 0.3081885E+00 Vb(Abramov) -0.4245407E+00 Hb(Abramov) -0.1163523E+00 Ex_ueg -0.8067190E-01 Ec_ueg -0.1105160E-01 Delta_ex -0.8705878E-01 Delta_ec 0.1768271E-01 Delta_et -0.2399707E+00 Pxc 0.7299569E+01 Qxc -0.4923384E+01 3,-1 172 3 -1 -2.812090 -1.780427 0.553601 Rho 0.1548246E+00 |GRAD(Rho)| 0.1507042E-14 GRAD(Rho)x -0.2050836E-16 GRAD(Rho)y -0.9902832E-15 GRAD(Rho)z -0.1135824E-14 Laplacian 0.6378024E+00 (-1/4)Del**2(Rho)) -0.1594506E+00 Diamond 0.1310819E+01 Metallicity 0.4823106E+01 Ellipticity 0.3138583E-01 Gb(Abramov) 0.2344749E+00 Vb(Abramov) -0.3094993E+00 Hb(Abramov) -0.7502433E-01 Ex_ueg -0.6140046E-01 Ec_ueg -0.8753068E-02 Delta_ex -0.6872673E-01 Delta_ec 0.1551336E-01 Delta_et -0.2060986E+00 Pxc 0.7014735E+01 Qxc -0.4430163E+01 3,-1 173 3 +3 -1.917269 1.892982 1.959787 Rho 0.1172621E-01 |GRAD(Rho)| 0.2101308E-15 GRAD(Rho)x 0.1192388E-15 GRAD(Rho)y -0.1207668E-15 GRAD(Rho)z -0.1239050E-15 Laplacian 0.5336622E-01 (-1/4)Del**2(Rho)) -0.1334156E-01 Diamond 0.1235954E-02 Metallicity 0.7815246E+00 Ellipticity -0.7816808E+00 Gb(Abramov) 0.1063216E-01 Vb(Abramov) -0.7922770E-02 Hb(Abramov) 0.2709393E-02 Ex_ueg -0.1967562E-02 Ec_ueg -0.4469446E-03 Delta_ex -0.2358195E-02 Delta_ec 0.2479778E-03 Delta_et -0.2194838E-02 Pxc 0.4402251E+01 Qxc -0.9509704E+01 3,+3 174 3 -1 -1.964588 0.884281 3.089243 Rho 0.1698690E+00 |GRAD(Rho)| 0.4844191E-15 GRAD(Rho)x 0.2173012E-15 GRAD(Rho)y 0.2647622E-15 GRAD(Rho)z 0.3425537E-15 Laplacian 0.6531917E+00 (-1/4)Del**2(Rho)) -0.1632979E+00 Diamond 0.1521589E+01 Metallicity 0.5496626E+01 Ellipticity 0.7595910E-01 Gb(Abramov) 0.2584632E+00 Vb(Abramov) -0.3536285E+00 Hb(Abramov) -0.9516529E-01 Ex_ueg -0.6948174E-01 Ec_ueg -0.9727326E-02 Delta_ex -0.7221294E-01 Delta_ec 0.1582731E-01 Delta_et -0.2134361E+00 Pxc 0.7142944E+01 Qxc -0.4562553E+01 3,-1 175 3 -1 -0.609923 -2.827276 1.836681 Rho 0.1648458E+00 |GRAD(Rho)| 0.3890951E-15 GRAD(Rho)x -0.2532696E-15 GRAD(Rho)y -0.1799098E-15 GRAD(Rho)z -0.2342690E-15 Laplacian 0.6799978E+00 (-1/4)Del**2(Rho)) -0.1699995E+00 Diamond 0.1510070E+01 Metallicity 0.5022293E+01 Ellipticity 0.4605172E-01 Gb(Abramov) 0.2556308E+00 Vb(Abramov) -0.3412622E+00 Hb(Abramov) -0.8563137E-01 Ex_ueg -0.6675578E-01 Ec_ueg -0.9400535E-02 Delta_ex -0.7445731E-01 Delta_ec 0.1632496E-01 Delta_et -0.2186359E+00 Pxc 0.7101274E+01 Qxc -0.4560948E+01 3,-1 176 3 -1 -0.094662 -3.245705 3.196995 Rho 0.2288037E+00 |GRAD(Rho)| 0.1058340E-14 GRAD(Rho)x -0.2194425E-15 GRAD(Rho)y -0.7103693E-15 GRAD(Rho)z 0.7531952E-15 Laplacian 0.8307659E+00 (-1/4)Del**2(Rho)) -0.2076915E+00 Diamond 0.2780572E+01 Metallicity 0.7099693E+01 Ellipticity 0.3442718E-02 Gb(Abramov) 0.3842186E+00 Vb(Abramov) -0.5607457E+00 Hb(Abramov) -0.1765271E+00 Ex_ueg -0.1033560E+00 Ec_ueg -0.1366858E-01 Delta_ex -0.9916926E-01 Delta_ec 0.1867749E-01 Delta_et -0.2584927E+00 Pxc 0.7561577E+01 Qxc -0.5309559E+01 3,-1 177 3 -1 1.671338 0.421865 -1.819340 Rho 0.4748954E-01 |GRAD(Rho)| 0.1594594E-14 GRAD(Rho)x 0.6189122E-15 GRAD(Rho)y -0.8836864E-15 GRAD(Rho)z -0.1174213E-14 Laplacian 0.1856578E+00 (-1/4)Del**2(Rho)) -0.4641445E-01 Diamond 0.8752934E-01 Metallicity 0.2311515E+01 Ellipticity 0.3404000E-01 Gb(Abramov) 0.4882425E-01 Vb(Abramov) -0.5123404E-01 Hb(Abramov) -0.2409796E-02 Ex_ueg -0.1270133E-01 Ec_ueg -0.2276582E-02 Delta_ex -0.1507522E-01 Delta_ec 0.5515828E-02 Delta_et -0.5737872E-01 Pxc 0.5579120E+01 Qxc -0.2733083E+01 3,-1 178 3 -1 3.321128 3.170300 0.047888 Rho 0.2279137E+00 |GRAD(Rho)| 0.3235654E-15 GRAD(Rho)x 0.3044440E-15 GRAD(Rho)y -0.7730361E-16 GRAD(Rho)z 0.7766953E-16 Laplacian 0.8121786E+00 (-1/4)Del**2(Rho)) -0.2030447E+00 Diamond 0.2716703E+01 Metallicity 0.7215152E+01 Ellipticity 0.1478936E-02 Gb(Abramov) 0.3795295E+00 Vb(Abramov) -0.5560143E+00 Hb(Abramov) -0.1764848E+00 Ex_ueg -0.1028203E+00 Ec_ueg -0.1360762E-01 Delta_ex -0.9691552E-01 Delta_ec 0.1839280E-01 Delta_et -0.2549682E+00 Pxc 0.7556081E+01 Qxc -0.5269209E+01 3,-1 179 3 -1 -3.253204 3.105844 -0.059726 Rho 0.2246106E+00 |GRAD(Rho)| 0.2580491E-14 GRAD(Rho)x 0.5491484E-15 GRAD(Rho)y -0.1995854E-14 GRAD(Rho)z 0.1540760E-14 Laplacian 0.8204911E+00 (-1/4)Del**2(Rho)) -0.2051228E+00 Diamond 0.2679215E+01 Metallicity 0.6970381E+01 Ellipticity 0.9501268E-02 Gb(Abramov) 0.3750458E+00 Vb(Abramov) -0.5449689E+00 Hb(Abramov) -0.1699231E+00 Ex_ueg -0.1008383E+00 Ec_ueg -0.1338178E-01 Delta_ex -0.9743609E-01 Delta_ec 0.1847726E-01 Delta_et -0.2552089E+00 Pxc 0.7535491E+01 Qxc -0.5273298E+01 3,-1 180 3 -1 -2.084306 -3.100660 -0.703159 Rho 0.1341201E+00 |GRAD(Rho)| 0.1267887E-15 GRAD(Rho)x -0.8189115E-16 GRAD(Rho)y -0.6816244E-16 GRAD(Rho)z 0.6872487E-16 Laplacian 0.4898376E+00 (-1/4)Del**2(Rho)) -0.1224594E+00 Diamond 0.8806972E+00 Metallicity 0.4943688E+01 Ellipticity 0.1228945E+00 Gb(Abramov) 0.1825398E+00 Vb(Abramov) -0.2426202E+00 Hb(Abramov) -0.6008038E-01 Ex_ueg -0.5070418E-01 Ec_ueg -0.7434861E-02 Delta_ex -0.5133634E-01 Delta_ec 0.1303928E-01 Delta_et -0.1712392E+00 Pxc 0.6819788E+01 Qxc -0.3937054E+01 3,-1 181 3 -1 -1.897993 -2.767602 0.579034 Rho 0.9085359E-01 |GRAD(Rho)| 0.1706284E-13 GRAD(Rho)x -0.1556563E-13 GRAD(Rho)y -0.6693815E-14 GRAD(Rho)z -0.2011066E-14 Laplacian 0.3670283E+00 (-1/4)Del**2(Rho)) -0.9175708E-01 Diamond 0.4035512E+00 Metallicity 0.3447337E+01 Ellipticity 0.1221195E-01 Gb(Abramov) 0.1138910E+00 Vb(Abramov) -0.1360249E+00 Hb(Abramov) -0.2213390E-01 Ex_ueg -0.3016531E-01 Ec_ueg -0.4774410E-02 Delta_ex -0.3492443E-01 Delta_ec 0.1034582E-01 Delta_et -0.1259141E+00 Pxc 0.6318124E+01 Qxc -0.3375705E+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 78 110 108 175 139 131 176 127 118 128 119 133 121 113 134 141 125 116 135 142 107 114 126 149 164 146 163 153 168 154 169 157 170 156 178 103 171 91 68 94 179 90 172 181 63 180 55 85 73 81 82 84 61 71 70 67 65 174 60 150 160 161 165 151 167 177 158 152 162 159 166 72 69 137 83 130 115 98 100 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 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 28 19 28 36 24 27 52 52 2.405411 1.968792 1.852696 2.038041 1.925199 1.734694 1.714540 1.691728 1.721892 1.713388 2.341552 1.954309 1.923222 1.949413 1.927062 1.743300 2.433896 1.922400 1.842325 2.130759 1.906719 1.739571 2.343015 1.933337 1.769369 2.157785 2.004243 1.753641 2.531271 1.881616 2.094073 1.821004 1.994658 1.736732 2.388788 1.800438 1.972600 1.972115 2.057451 1.742079 2.367239 1.876877 2.093154 1.902381 1.955463 1.734786 2.320558 2.255675 1.942585 2.024637 1.741745 1.748123 2.424015 2.067419 1.920593 1.950435 1.851447 1.735716 2.496855 2.031910 1.984092 1.856044 1.893948 1.736072 2.392093 1.950074 1.745818 2.236774 1.972298 1.755362 3.201996 3.203228 3.143189 3.178005 3.234484 3.235778 1.835343 0.999448 2.407019 1.969365 1.853437 2.038789 1.925970 1.734710 1.714552 1.691791 1.721909 1.713399 2.343221 1.954703 1.923781 1.950058 1.927676 1.743310 2.435741 1.922995 1.842795 2.131455 1.907445 1.739587 2.344600 1.933761 1.769445 2.158421 2.004836 1.753658 2.532683 1.882191 2.094643 1.821403 1.995502 1.736755 2.390413 1.800829 1.973077 1.972875 2.058198 1.742105 2.369430 1.877645 2.093702 1.903084 1.956997 1.734818 2.322945 2.256118 1.943084 2.025358 1.741773 1.748161 2.425711 2.068039 1.921342 1.951209 1.851960 1.735739 2.498341 2.032457 1.984917 1.856630 1.894547 1.736095 2.393817 1.950455 1.745831 2.237257 1.972899 1.755386 3.210570 3.211164 3.175891 3.181067 3.239289 3.240651 1.838066 0.999576 31 26 23 27 26 22 22 24 24 24 30 27 27 28 28 24 32 27 24 29 27 25 28 25 24 27 25 23 29 25 27 25 26 25 30 23 26 26 29 23 29 26 25 26 24 23 30 28 27 25 24 24 29 28 27 29 23 24 29 25 25 23 25 23 27 25 24 28 25 23 35 35 35 35 35 35 27 23 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 Mo As W Mo W Mo Mo Mo Mo Mo Mo 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 2.3201 2.4073 2.4442 2.3091 2.3636 2.3005 2.3083 2.2999 2.2409 2.2857 2.2878 2.3385 -1.1234 -1.0337 -1.1189 -1.1069 -0.8968 -0.9923 -0.8551 -0.9143 -0.7636 -0.9184 -0.9524 -0.9093 -0.9407 -0.8919 -0.8951 -0.8285 -0.9011 -0.9265 -0.8793 -0.9176 -0.9080 -0.9849 -0.8875 -0.7179 -0.7695 -0.9206 -0.9382 -0.9443 -0.7315 -0.8368 -0.7999 -0.7484 -0.8297 -0.7426 -0.7506 -0.7263 -0.7512 -0.7344 -0.7391 0.3213 1.9288 0.8326 2.0965 1.9269 2.1292 1.9562 1.9309 1.9603 1.9829 1.9354 1.9487 2.1335 1.9375 1.9495 1.9365 1.9382 1.9437 1.9308 1.9585 1.9408 1.9679 1.9399 1.9345 1.9393 1.9351 1.9456 1.9465 1.9650 1.9525 1.9455 1.9561 1.9466 1.9466 1.9414 1.9534 1.9725 1.8792 1.9485 1.9458 1.9423 1.9735 1.9584 1.9637 1.9712 1.9594 1.9728 1.9704 1.9734 1.9688 1.9728 1.9726 0.5360 6.0843 1.2068 6.1010 6.0905 6.1141 6.0788 6.0893 6.0900 6.0925 6.0980 6.0921 6.1170 5.1490 5.0477 5.1458 5.1320 4.9276 5.0323 4.8679 4.9479 4.7596 4.9537 4.9914 4.9441 4.9780 4.9187 4.9214 4.8303 4.9211 4.9533 4.8944 4.9438 4.9338 5.0123 4.9057 4.7138 4.8621 4.9464 4.9630 4.9728 4.7256 4.8455 4.8014 4.7454 4.8372 4.7375 4.7490 4.7206 4.7518 4.7292 4.7341 0.1427 3.6668 10.5533 3.3288 3.6735 3.3645 3.6644 3.6714 3.6497 3.6838 3.6809 3.6715 3.3830 0.0369 0.0365 0.0365 0.0367 0.0254 0.0292 0.0287 0.0255 0.0361 0.0248 0.0265 0.0258 0.0276 0.0276 0.0273 0.0332 0.0275 0.0276 0.0288 0.0272 0.0277 0.0312 0.0283 0.0316 0.0282 0.0257 0.0294 0.0292 0.0325 0.0329 0.0348 0.0317 0.0331 0.0322 0.0313 0.0324 0.0305 0.0324 0.0324 0.0000 0.0000 0.0000 14.0295 0.0000 14.0286 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0281 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 Mo As W Mo W Mo Mo Mo Mo Mo Mo 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 3.169961 2.309558 2.511907 3.164680 2.476736 3.157623 3.164666 3.173609 3.153800 3.167432 3.166046 2.462995 -1.162211 -1.126076 -1.119666 -1.206800 -1.178171 -0.984010 -1.138108 -1.193184 -0.825232 -1.199977 -1.091142 -1.194373 -1.080954 -1.163381 -1.176201 -0.806478 -1.080618 -1.170707 -1.082321 -1.174787 -1.168642 -0.961774 -1.146680 -0.989860 -0.723473 -1.173428 -1.072736 -1.058681 -1.001778 -0.882341 -0.836022 -1.020635 -0.874783 -1.015505 -1.025140 -0.995357 -1.022155 -1.005298 -1.011556 0.061227 2.373846 1.702981 1.949448 2.372601 1.922728 2.368163 2.362480 2.367588 2.359787 2.375950 2.372706 1.931286 -0.833440 -0.832769 -0.779761 -0.902649 -0.920060 -0.723383 -0.903606 -0.935657 -0.711689 -0.924490 -0.820903 -0.920035 -0.825382 -0.910825 -0.929503 -0.667553 -0.884261 -0.932295 -0.882354 -0.945185 -0.948045 -0.785634 -0.936177 -0.779704 -0.871926 -0.966181 -0.868483 -0.862284 -0.773410 -0.788163 -0.733274 -0.790569 -0.775506 -0.788247 -0.799232 -0.751577 -0.814384 -0.773441 -0.783406 0.315882 2.459965 1.684067 2.053615 2.454519 2.006098 2.451105 2.442124 2.493801 2.451383 2.460018 2.460164 2.008295 -0.859098 -0.880763 -0.824627 -0.910084 -1.009695 -0.809419 -0.944183 -1.026929 -0.719827 -1.009024 -0.929578 -0.998251 -0.905244 -1.024788 -0.993991 -0.745468 -0.911399 -0.978748 -0.899103 -0.993826 -0.974615 -0.843493 -0.960119 -0.772958 -0.925399 -1.016322 -0.921109 -0.889649 -0.730205 -0.757094 -0.697196 -0.748315 -0.736026 -0.755373 -0.754504 -0.735016 -0.799322 -0.734578 -0.749479 0.449664 -2.00895011 -1.20714691 2.34787574 3.31746962 -13.58602497 6.69976822 2.66057446 10.81339681 6.93827268 2.77262816 -334.2623 407.6604 -115.1275 -357.1956 -42.7313 -441.6562 Jun12-2024 09:18:45 Nodes: 1 Procs: 1 Jun12-2024 09:18:47 Nodes: 1 Procs: 1 0 Jun12-2024 09:18:49 Nodes: 1 Procs: 1 Jun12-2024 09:18:50 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 09:18:52 Nodes: 1 Procs: 1 Jun12-2024 09:18:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 09:18:56 Nodes: 1 Procs: 1 Jun12-2024 09:18:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 09:18:59 Nodes: 1 Procs: 1 Jun12-2024 09:19:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 09:19:05 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.64564453 -16.03162968 -15.85314027 -15.98962370 -16.13200976 -16.16765117 -16.19697040 -16.20035737 -16.20202352 -16.20582078 -16.21130988 -16.21616930 -16.21937161 -16.22083773 -16.22451064 -16.22639603 -16.22761690 -16.22809815 -16.22891137 -16.22926471 -16.22965947 -16.22981570 -16.23013775 -16.23029338 -16.23042161 -16.23047782 -16.23050684 -16.23053986 -16.23055291 -16.23056443 -16.23056709 GEOMETRY CONVERGED