ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:41:55 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 5.57 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 Jun20-2024 20:41:55 Nodes: 1 Procs: 1 Jun20-2024 20:42:00 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:42:07 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.08 3.74 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 20:41:55 Nodes: 1 Procs: 1 Jun20-2024 20:42:00 Nodes: 1 Procs: 1 0 Jun20-2024 20:42:07 Nodes: 1 Procs: 1 Jun20-2024 20:42:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:42:15 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.82 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 Jun20-2024 20:41:55 Nodes: 1 Procs: 1 Jun20-2024 20:42:00 Nodes: 1 Procs: 1 0 Jun20-2024 20:42:07 Nodes: 1 Procs: 1 Jun20-2024 20:42:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:42:15 Nodes: 1 Procs: 1 Jun20-2024 20:42:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:42:21 Arsenic (TZP, 3p frozen) c3-28 c3-28 c3-28 c3-28 c3-28 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.96 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 Jun20-2024 20:41:55 Nodes: 1 Procs: 1 Jun20-2024 20:42:00 Nodes: 1 Procs: 1 0 Jun20-2024 20:42:07 Nodes: 1 Procs: 1 Jun20-2024 20:42:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:42:15 Nodes: 1 Procs: 1 Jun20-2024 20:42:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:42:21 Nodes: 1 Procs: 1 Jun20-2024 20:42:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:42:32 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2903.625000000006 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3,-3 48 3 -3 -3.837376 -3.738382 0.236135 Rho 0.3192284E+03 3,-3 49 3 -3 -3.824277 0.227193 -3.734083 Rho 0.3192303E+03 3,-3 50 3 -3 -3.812710 -0.203187 3.755183 Rho 0.3192339E+03 3,-3 51 3 -3 3.861196 0.201268 3.840635 Rho 0.3190962E+03 3,-3 52 3 -3 3.877142 -0.232211 -3.843524 Rho 0.3190902E+03 3,-3 53 3 -3 0.032664 0.001884 -0.016737 Rho 0.4276085E+05 3,-3 54 3 +1 -2.175162 1.222070 1.224581 Rho 0.2723563E-01 |GRAD(Rho)| 0.6239407E-16 GRAD(Rho)x 0.5034102E-16 GRAD(Rho)y -0.3605362E-16 GRAD(Rho)z -0.7677143E-17 Laplacian 0.1100339E+00 (-1/4)Del**2(Rho)) -0.2750847E-01 Diamond 0.1759957E-01 Metallicity 0.1544007E+01 Ellipticity -0.7362307E+01 Gb(Abramov) 0.2541785E-01 Vb(Abramov) -0.2332724E-01 Hb(Abramov) 0.2090611E-02 Ex_ueg -0.6052039E-02 Ec_ueg -0.1201920E-02 Delta_ex -0.7138607E-02 Delta_ec 0.2110531E-02 Delta_et -0.1898064E-01 Pxc 0.5035307E+01 Qxc -0.3382375E+01 3,+1 55 3 +3 1.121266 1.132423 1.145713 Rho 0.4850879E-02 |GRAD(Rho)| 0.3325317E-17 GRAD(Rho)x 0.1676621E-17 GRAD(Rho)y -0.2198433E-17 GRAD(Rho)z 0.1847585E-17 Laplacian 0.1803506E-01 (-1/4)Del**2(Rho)) -0.4508765E-02 Diamond 0.1206954E-03 Metallicity 0.5311244E+00 Ellipticity -0.3172180E+00 Gb(Abramov) 0.3404963E-02 Vb(Abramov) -0.2301160E-02 Hb(Abramov) 0.1103803E-02 Ex_ueg -0.6064741E-03 Ec_ueg -0.1405012E-03 Delta_ex -0.6177588E-03 Delta_ec 0.7921481E-04 Delta_et -0.6245246E-03 Pxc 0.4316506E+01 Qxc -0.7798526E+01 3,+3 56 3 -1 -1.723152 1.735379 0.528813 Rho 0.4482149E-01 |GRAD(Rho)| 0.2936557E-12 GRAD(Rho)x 0.2672213E-13 GRAD(Rho)y 0.2206865E-12 GRAD(Rho)z -0.1918778E-12 Laplacian 0.1792655E+00 (-1/4)Del**2(Rho)) -0.4481637E-01 Diamond 0.7745805E-01 Metallicity 0.2174004E+01 Ellipticity 0.1146301E-01 Gb(Abramov) 0.4611607E-01 Vb(Abramov) -0.4741578E-01 Hb(Abramov) -0.1299706E-02 Ex_ueg -0.1175890E-01 Ec_ueg -0.2130690E-02 Delta_ex -0.1431355E-01 Delta_ec 0.5268671E-02 Delta_et -0.5396534E-01 Pxc 0.5518823E+01 Qxc -0.2716729E+01 3,-1 57 3 +3 -1.101682 1.129531 -1.123559 Rho 0.4925287E-02 |GRAD(Rho)| 0.1009223E-12 GRAD(Rho)x 0.8837264E-13 GRAD(Rho)y 0.4873898E-13 GRAD(Rho)z 0.3183794E-15 Laplacian 0.1894921E-01 (-1/4)Del**2(Rho)) -0.4737302E-02 Diamond 0.1310940E-03 Metallicity 0.5184912E+00 Ellipticity -0.1677982E+00 Gb(Abramov) 0.3567576E-02 Vb(Abramov) -0.2397850E-02 Hb(Abramov) 0.1169726E-02 Ex_ueg -0.6189095E-03 Ec_ueg -0.1436990E-03 Delta_ex -0.6533416E-03 Delta_ec 0.8595300E-04 Delta_et -0.6715218E-03 Pxc 0.4306985E+01 Qxc -0.7601150E+01 3,+3 58 3 -1 -1.727263 0.527081 1.736758 Rho 0.4426031E-01 |GRAD(Rho)| 0.1740907E-16 GRAD(Rho)x 0.7357328E-17 GRAD(Rho)y -0.5349648E-17 GRAD(Rho)z 0.1484341E-16 Laplacian 0.1771087E+00 (-1/4)Del**2(Rho)) -0.4427717E-01 Diamond 0.7517600E-01 Metallicity 0.2154752E+01 Ellipticity 0.1262017E-01 Gb(Abramov) 0.4541917E-01 Vb(Abramov) -0.4656117E-01 Hb(Abramov) -0.1141997E-02 Ex_ueg -0.1156301E-01 Ec_ueg -0.2100151E-02 Delta_ex -0.1409425E-01 Delta_ec 0.5201211E-02 Delta_et -0.5309614E-01 Pxc 0.5505799E+01 Qxc -0.2709802E+01 3,-1 59 3 +1 -0.522304 -0.560997 1.692925 Rho 0.7908140E-02 |GRAD(Rho)| 0.1521417E-16 GRAD(Rho)x -0.5864479E-18 GRAD(Rho)y 0.1043301E-16 GRAD(Rho)z -0.1105800E-16 Laplacian 0.3030484E-01 (-1/4)Del**2(Rho)) -0.7576211E-02 Diamond 0.7279872E-03 Metallicity 0.7137701E+00 Ellipticity -0.1438248E+01 Gb(Abramov) 0.5952086E-02 Vb(Abramov) -0.4327961E-02 Hb(Abramov) 0.1624125E-02 Ex_ueg -0.1163637E-02 Ec_ueg -0.2741315E-03 Delta_ex -0.1357758E-02 Delta_ec 0.4305225E-03 Delta_et -0.2876255E-02 Pxc 0.4244813E+01 Qxc -0.3153743E+01 3,+1 60 3 +1 -2.997253 -0.204304 -0.192968 Rho 0.5960675E-02 |GRAD(Rho)| 0.9626463E-17 GRAD(Rho)x -0.7224724E-18 GRAD(Rho)y 0.9219895E-17 GRAD(Rho)z 0.2672144E-17 Laplacian 0.2482789E-01 (-1/4)Del**2(Rho)) -0.6206972E-02 Diamond 0.6427595E-03 Metallicity 0.5438750E+00 Ellipticity -0.2063895E+01 Gb(Abramov) 0.4700617E-02 Vb(Abramov) -0.3194263E-02 Hb(Abramov) 0.1506354E-02 Ex_ueg -0.7982011E-03 Ec_ueg -0.1884860E-03 Delta_ex -0.1210993E-02 Delta_ec 0.6629511E-03 Delta_et -0.3842073E-02 Pxc 0.4234804E+01 Qxc -0.1826670E+01 3,+1 61 3 +1 -2.052163 2.021979 2.023382 Rho 0.1247002E-01 |GRAD(Rho)| 0.1004703E-16 GRAD(Rho)x 0.4535878E-17 GRAD(Rho)y 0.7605960E-17 GRAD(Rho)z -0.4745308E-17 Laplacian 0.5962942E-01 (-1/4)Del**2(Rho)) -0.1490736E-01 Diamond 0.2001798E-02 Metallicity 0.7749341E+00 Ellipticity -0.1113244E+01 Gb(Abramov) 0.1186361E-01 Vb(Abramov) -0.8819858E-02 Hb(Abramov) 0.3043749E-02 Ex_ueg -0.2135706E-02 Ec_ueg -0.4813103E-03 Delta_ex -0.2819044E-02 Delta_ec 0.5206286E-03 Delta_et -0.4131262E-02 Pxc 0.4437275E+01 Qxc -0.5414693E+01 3,+1 62 3 +1 -1.051848 -1.436370 -2.197180 Rho 0.2571759E-01 |GRAD(Rho)| 0.4139895E-13 GRAD(Rho)x 0.2501722E-13 GRAD(Rho)y -0.3012957E-13 GRAD(Rho)z -0.1342464E-13 Laplacian 0.9820282E-01 (-1/4)Del**2(Rho)) -0.2455071E-01 Diamond 0.1178098E-01 Metallicity 0.1572315E+01 Ellipticity -0.2503885E+01 Gb(Abramov) 0.2280071E-01 Vb(Abramov) -0.2105072E-01 Hb(Abramov) 0.1749994E-02 Ex_ueg -0.5606503E-02 Ec_ueg -0.1124911E-02 Delta_ex -0.5989539E-02 Delta_ec 0.1372678E-02 Delta_et -0.1226303E-01 Pxc 0.4983952E+01 Qxc -0.4363396E+01 3,+1 63 3 +1 -2.986319 0.189170 0.198375 Rho 0.6027464E-02 |GRAD(Rho)| 0.1741423E-14 GRAD(Rho)x -0.1798445E-15 GRAD(Rho)y 0.1214169E-14 GRAD(Rho)z 0.1235316E-14 Laplacian 0.2505761E-01 (-1/4)Del**2(Rho)) -0.6264403E-02 Diamond 0.6945254E-03 Metallicity 0.5489901E+00 Ellipticity -0.2489187E+01 Gb(Abramov) 0.4749451E-02 Vb(Abramov) -0.3234499E-02 Hb(Abramov) 0.1514952E-02 Ex_ueg -0.8101484E-03 Ec_ueg -0.1913932E-03 Delta_ex -0.1251107E-02 Delta_ec 0.7156090E-03 Delta_et -0.4139212E-02 Pxc 0.4232899E+01 Qxc -0.1748311E+01 3,+1 64 3 -1 -2.985722 0.021354 0.031689 Rho 0.6082166E-02 |GRAD(Rho)| 0.9728355E-17 GRAD(Rho)x 0.1490144E-17 GRAD(Rho)y -0.7097278E-17 GRAD(Rho)z 0.6484520E-17 Laplacian 0.2430125E-01 (-1/4)Del**2(Rho)) -0.6075313E-02 Diamond 0.8538567E-03 Metallicity 0.5746653E+00 Ellipticity 0.1917544E+01 Gb(Abramov) 0.4632087E-02 Vb(Abramov) -0.3188861E-02 Hb(Abramov) 0.1443226E-02 Ex_ueg -0.8199665E-03 Ec_ueg -0.1937760E-03 Delta_ex -0.1338622E-02 Delta_ec 0.9136671E-03 Delta_et -0.5203653E-02 Pxc 0.4231517E+01 Qxc -0.1465109E+01 3,-1 65 3 -1 -3.237778 -0.066032 3.205227 Rho 0.2331917E+00 |GRAD(Rho)| 0.2248196E-15 GRAD(Rho)x 0.2135878E-15 GRAD(Rho)y 0.6990394E-16 GRAD(Rho)z 0.6125742E-17 Laplacian 0.8548771E+00 (-1/4)Del**2(Rho)) -0.2137193E+00 Diamond 0.2920309E+01 Metallicity 0.7121388E+01 Ellipticity 0.2040259E-02 Gb(Abramov) 0.3961425E+00 Vb(Abramov) -0.5785657E+00 Hb(Abramov) -0.1824232E+00 Ex_ueg -0.1060073E+00 Ec_ueg -0.1396975E-01 Delta_ex -0.1025131E+00 Delta_ec 0.1904345E-01 Delta_et -0.2634881E+00 Pxc 0.7588350E+01 Qxc -0.5383117E+01 3,-1 66 3 -1 -3.237848 0.072562 -3.200308 Rho 0.2326220E+00 |GRAD(Rho)| 0.8717903E-15 GRAD(Rho)x 0.8187353E-15 GRAD(Rho)y -0.1367450E-15 GRAD(Rho)z 0.2664427E-15 Laplacian 0.8552786E+00 (-1/4)Del**2(Rho)) -0.2138196E+00 Diamond 0.2910606E+01 Metallicity 0.7089083E+01 Ellipticity 0.2502943E-02 Gb(Abramov) 0.3951773E+00 Vb(Abramov) -0.5765350E+00 Hb(Abramov) -0.1813577E+00 Ex_ueg -0.1056621E+00 Ec_ueg -0.1393058E-01 Delta_ex -0.1024822E+00 Delta_ec 0.1904139E-01 Delta_et -0.2633281E+00 Pxc 0.7584904E+01 Qxc -0.5382075E+01 3,-1 67 3 -1 -2.800807 -0.558003 1.804736 Rho 0.1456745E+00 |GRAD(Rho)| 0.2445958E-14 GRAD(Rho)x 0.2873746E-15 GRAD(Rho)y 0.1679714E-14 GRAD(Rho)z 0.1754619E-14 Laplacian 0.6037491E+00 (-1/4)Del**2(Rho)) -0.1509373E+00 Diamond 0.1176193E+01 Metallicity 0.4603230E+01 Ellipticity 0.1203284E-01 Gb(Abramov) 0.2164247E+00 Vb(Abramov) -0.2819121E+00 Hb(Abramov) -0.6548741E-01 Ex_ueg -0.5661044E-01 Ec_ueg -0.8167199E-02 Delta_ex -0.6432086E-01 Delta_ec 0.1533637E-01 Delta_et -0.2031067E+00 Pxc 0.6931439E+01 Qxc -0.4194009E+01 3,-1 68 3 +1 -0.531752 -1.683606 0.552749 Rho 0.8091263E-02 |GRAD(Rho)| 0.4045839E-13 GRAD(Rho)x -0.2996917E-13 GRAD(Rho)y -0.2356787E-13 GRAD(Rho)z -0.1353830E-13 Laplacian 0.3108912E-01 (-1/4)Del**2(Rho)) -0.7772279E-02 Diamond 0.7770890E-03 Metallicity 0.7228230E+00 Ellipticity -0.1454521E+01 Gb(Abramov) 0.6117850E-02 Vb(Abramov) -0.4463420E-02 Hb(Abramov) 0.1654429E-02 Ex_ueg -0.1199702E-02 Ec_ueg -0.2822756E-03 Delta_ex -0.1404160E-02 Delta_ec 0.4474426E-03 Delta_et -0.3002335E-02 Pxc 0.4250110E+01 Qxc -0.3138191E+01 3,+1 69 3 -1 -2.794122 0.551938 -1.800020 Rho 0.1297859E+00 |GRAD(Rho)| 0.7705667E-13 GRAD(Rho)x 0.3703385E-13 GRAD(Rho)y 0.6091270E-13 GRAD(Rho)z 0.2925522E-13 Laplacian 0.5389639E+00 (-1/4)Del**2(Rho)) -0.1347410E+00 Diamond 0.9169282E+00 Metallicity 0.4253691E+01 Ellipticity 0.8984917E-02 Gb(Abramov) 0.1853517E+00 Vb(Abramov) -0.2359625E+00 Hb(Abramov) -0.5061075E-01 Ex_ueg -0.4853127E-01 Ec_ueg -0.7162369E-02 Delta_ex -0.5586413E-01 Delta_ec 0.1414463E-01 Delta_et -0.1841816E+00 Pxc 0.6775869E+01 Qxc -0.3949495E+01 3,-1 70 3 -1 -3.011629 0.840578 1.989778 Rho 0.1356862E+00 |GRAD(Rho)| 0.5257295E-14 GRAD(Rho)x 0.1742699E-14 GRAD(Rho)y -0.3180358E-14 GRAD(Rho)z 0.3806241E-14 Laplacian 0.5353601E+00 (-1/4)Del**2(Rho)) -0.1338400E+00 Diamond 0.9604783E+00 Metallicity 0.4611690E+01 Ellipticity 0.3522202E-01 Gb(Abramov) 0.1920981E+00 Vb(Abramov) -0.2503562E+00 Hb(Abramov) -0.5825810E-01 Ex_ueg -0.5149512E-01 Ec_ueg -0.7533622E-02 Delta_ex -0.5608712E-01 Delta_ec 0.1389477E-01 Delta_et -0.1821983E+00 Pxc 0.6835374E+01 Qxc -0.4036564E+01 3,-1 71 3 +1 -0.529329 0.561360 -1.687295 Rho 0.8304392E-02 |GRAD(Rho)| 0.9906267E-13 GRAD(Rho)x -0.3770850E-13 GRAD(Rho)y 0.3330605E-13 GRAD(Rho)z -0.8533574E-13 Laplacian 0.3182171E-01 (-1/4)Del**2(Rho)) -0.7955427E-02 Diamond 0.8268263E-03 Metallicity 0.7374560E+00 Ellipticity -0.1472675E+01 Gb(Abramov) 0.6281414E-02 Vb(Abramov) -0.4607401E-02 Hb(Abramov) 0.1674013E-02 Ex_ueg -0.1242021E-02 Ec_ueg -0.2917733E-03 Delta_ex -0.1447965E-02 Delta_ec 0.4603166E-03 Delta_et -0.3107753E-02 Pxc 0.4256801E+01 Qxc -0.3145584E+01 3,+1 72 3 +1 0.137051 0.137534 -2.981846 Rho 0.4733796E-02 |GRAD(Rho)| 0.1110232E-16 GRAD(Rho)x -0.1015130E-16 GRAD(Rho)y 0.4148033E-17 GRAD(Rho)z -0.1733865E-17 Laplacian 0.1816827E-01 (-1/4)Del**2(Rho)) -0.4542068E-02 Diamond 0.3661678E-03 Metallicity 0.5061921E+00 Ellipticity -0.2642298E+01 Gb(Abramov) 0.3411239E-02 Vb(Abramov) -0.2280409E-02 Hb(Abramov) 0.1130830E-02 Ex_ueg -0.5870356E-03 Ec_ueg -0.1354750E-03 Delta_ex -0.8664150E-03 Delta_ec 0.5230983E-03 Delta_et -0.2814468E-02 Pxc 0.4333166E+01 Qxc -0.1656314E+01 3,+1 73 3 -1 -2.796639 1.796855 -0.553712 Rho 0.1420812E+00 |GRAD(Rho)| 0.1392910E-15 GRAD(Rho)x -0.5772699E-16 GRAD(Rho)y -0.1254286E-15 GRAD(Rho)z -0.1836367E-16 Laplacian 0.5877260E+00 (-1/4)Del**2(Rho)) -0.1469315E+00 Diamond 0.1111792E+01 Metallicity 0.4535927E+01 Ellipticity 0.1162739E-01 Gb(Abramov) 0.2090328E+00 Vb(Abramov) -0.2711340E+00 Hb(Abramov) -0.6210127E-01 Ex_ueg -0.5475628E-01 Ec_ueg -0.7938541E-02 Delta_ex -0.6223925E-01 Delta_ec 0.1503393E-01 Delta_et -0.1984098E+00 Pxc 0.6897525E+01 Qxc -0.4139918E+01 3,-1 74 3 +1 -1.788433 1.762740 -1.757928 Rho 0.1191524E-01 |GRAD(Rho)| 0.1470223E-16 GRAD(Rho)x 0.6255860E-17 GRAD(Rho)y 0.7555282E-17 GRAD(Rho)z 0.1095160E-16 Laplacian 0.5837075E-01 (-1/4)Del**2(Rho)) -0.1459269E-01 Diamond 0.2281687E-02 Metallicity 0.7338195E+00 Ellipticity -0.1265401E+01 Gb(Abramov) 0.1151319E-01 Vb(Abramov) -0.8433695E-02 Hb(Abramov) 0.3079496E-02 Ex_ueg -0.2009966E-02 Ec_ueg -0.4556576E-03 Delta_ex -0.2853724E-02 Delta_ec 0.7396237E-03 Delta_et -0.5550241E-02 Pxc 0.4411133E+01 Qxc -0.3858346E+01 3,+1 75 3 -1 -3.007449 1.986640 0.843380 Rho 0.1326100E+00 |GRAD(Rho)| 0.7642961E-12 GRAD(Rho)x 0.2757280E-12 GRAD(Rho)y 0.4423988E-12 GRAD(Rho)z -0.5589329E-12 Laplacian 0.5239288E+00 (-1/4)Del**2(Rho)) -0.1309822E+00 Diamond 0.9140403E+00 Metallicity 0.4535601E+01 Ellipticity 0.3346719E-01 Gb(Abramov) 0.1863353E+00 Vb(Abramov) -0.2416884E+00 Hb(Abramov) -0.5535311E-01 Ex_ueg -0.4994441E-01 Ec_ueg -0.7339781E-02 Delta_ex -0.5458094E-01 Delta_ec 0.1366538E-01 Delta_et -0.1785306E+00 Pxc 0.6804618E+01 Qxc -0.3994103E+01 3,-1 76 3 -1 -2.799942 -1.807788 0.557894 Rho 0.1262205E+00 |GRAD(Rho)| 0.1473794E-15 GRAD(Rho)x 0.8807449E-16 GRAD(Rho)y -0.1005191E-15 GRAD(Rho)z 0.6212478E-16 Laplacian 0.5256776E+00 (-1/4)Del**2(Rho)) -0.1314194E+00 Diamond 0.8653837E+00 Metallicity 0.4163356E+01 Ellipticity 0.9614182E-02 Gb(Abramov) 0.1788039E+00 Vb(Abramov) -0.2261884E+00 Hb(Abramov) -0.4738449E-01 Ex_ueg -0.4676184E-01 Ec_ueg -0.6939148E-02 Delta_ex -0.5412924E-01 Delta_ec 0.1389891E-01 Delta_et -0.1801753E+00 Pxc 0.6738844E+01 Qxc -0.3894495E+01 3,-1 77 3 +1 -2.185131 -1.237835 -1.205433 Rho 0.2775992E-01 |GRAD(Rho)| 0.6098676E-16 GRAD(Rho)x 0.5450532E-16 GRAD(Rho)y 0.1070940E-16 GRAD(Rho)z 0.2517666E-16 Laplacian 0.1135133E+00 (-1/4)Del**2(Rho)) -0.2837833E-01 Diamond 0.1882761E-01 Metallicity 0.1545005E+01 Ellipticity -0.8541523E+01 Gb(Abramov) 0.2622633E-01 Vb(Abramov) -0.2407434E-01 Hb(Abramov) 0.2151998E-02 Ex_ueg -0.6207871E-02 Ec_ueg -0.1228651E-02 Delta_ex -0.7419351E-02 Delta_ec 0.2209232E-02 Delta_et -0.1995932E-01 Pxc 0.5052590E+01 Qxc -0.3358340E+01 3,+1 78 3 -1 -3.008895 -0.840943 -1.983947 Rho 0.1312751E+00 |GRAD(Rho)| 0.3686270E-15 GRAD(Rho)x 0.1634028E-15 GRAD(Rho)y 0.2677979E-15 GRAD(Rho)z -0.1935707E-15 Laplacian 0.5154057E+00 (-1/4)Del**2(Rho)) -0.1288514E+00 Diamond 0.8890683E+00 Metallicity 0.4533510E+01 Ellipticity 0.3182870E-01 Gb(Abramov) 0.1832592E+00 Vb(Abramov) -0.2376669E+00 Hb(Abramov) -0.5440773E-01 Ex_ueg -0.4927518E-01 Ec_ueg -0.7255856E-02 Delta_ex -0.5357096E-01 Delta_ec 0.1349195E-01 Delta_et -0.1760113E+00 Pxc 0.6791092E+01 Qxc -0.3970587E+01 3,-1 79 3 +1 0.574923 -0.555548 -1.710332 Rho 0.7958398E-02 |GRAD(Rho)| 0.9918059E-17 GRAD(Rho)x -0.6238335E-17 GRAD(Rho)y -0.7710410E-17 GRAD(Rho)z -0.2527202E-19 Laplacian 0.2930220E-01 (-1/4)Del**2(Rho)) -0.7325551E-02 Diamond 0.6986183E-03 Metallicity 0.7460289E+00 Ellipticity -0.1468217E+01 Gb(Abramov) 0.5794546E-02 Vb(Abramov) -0.4263541E-02 Hb(Abramov) 0.1531005E-02 Ex_ueg -0.1173508E-02 Ec_ueg -0.2763651E-03 Delta_ex -0.1309238E-02 Delta_ec 0.4061271E-03 Delta_et -0.2726085E-02 Pxc 0.4246222E+01 Qxc -0.3223715E+01 3,+1 80 3 +1 2.227615 1.157013 -1.356002 Rho 0.2468942E-01 |GRAD(Rho)| 0.6142106E-16 GRAD(Rho)x -0.5937385E-16 GRAD(Rho)y -0.1434840E-16 GRAD(Rho)z -0.6435509E-17 Laplacian 0.9222958E-01 (-1/4)Del**2(Rho)) -0.2305740E-01 Diamond 0.1249905E-01 Metallicity 0.1564087E+01 Ellipticity -0.8482895E+01 Gb(Abramov) 0.2138223E-01 Vb(Abramov) -0.1970706E-01 Hb(Abramov) 0.1675169E-02 Ex_ueg -0.5309653E-02 Ec_ueg -0.1073089E-02 Delta_ex -0.5787991E-02 Delta_ec 0.1691695E-02 Delta_et -0.1485679E-01 Pxc 0.4948006E+01 Qxc -0.3421416E+01 3,+1 81 3 +1 -1.669116 0.528502 -0.523008 Rho 0.8465013E-02 |GRAD(Rho)| 0.9928346E-17 GRAD(Rho)x -0.4985477E-17 GRAD(Rho)y 0.5684479E-17 GRAD(Rho)z -0.6434575E-17 Laplacian 0.3301402E-01 (-1/4)Del**2(Rho)) -0.8253504E-02 Diamond 0.8602305E-03 Metallicity 0.7338842E+00 Ellipticity -0.1433217E+01 Gb(Abramov) 0.6511855E-02 Vb(Abramov) -0.4770207E-02 Hb(Abramov) 0.1741649E-02 Ex_ueg -0.1274154E-02 Ec_ueg -0.2989445E-03 Delta_ex -0.1500149E-02 Delta_ec 0.4609265E-03 Delta_et -0.3140583E-02 Pxc 0.4262176E+01 Qxc -0.3254639E+01 3,+1 82 3 +3 0.027912 0.009335 -2.390925 Rho 0.4183724E-02 |GRAD(Rho)| 0.1649801E-17 GRAD(Rho)x -0.1208959E-17 GRAD(Rho)y 0.1570940E-18 GRAD(Rho)z -0.1111568E-17 Laplacian 0.1651768E-01 (-1/4)Del**2(Rho)) -0.4129420E-02 Diamond 0.1302271E-03 Metallicity 0.4531784E+00 Ellipticity -0.3088201E+00 Gb(Abramov) 0.3064841E-02 Vb(Abramov) -0.2000261E-02 Hb(Abramov) 0.1064579E-02 Ex_ueg -0.4978927E-03 Ec_ueg -0.1119560E-03 Delta_ex -0.5901903E-03 Delta_ec 0.1565054E-03 Delta_et -0.9549106E-03 Pxc 0.4447216E+01 Qxc -0.3771053E+01 3,+3 83 3 +3 2.390790 0.027371 -0.008249 Rho 0.4177681E-02 |GRAD(Rho)| 0.3074378E-12 GRAD(Rho)x 0.1956089E-12 GRAD(Rho)y 0.1721510E-12 GRAD(Rho)z -0.1631538E-12 Laplacian 0.1653811E-01 (-1/4)Del**2(Rho)) -0.4134528E-02 Diamond 0.1342100E-03 Metallicity 0.4515293E+00 Ellipticity -0.2727810E+00 Gb(Abramov) 0.3067496E-02 Vb(Abramov) -0.2000463E-02 Hb(Abramov) 0.1067033E-02 Ex_ueg -0.4969340E-03 Ec_ueg -0.1116985E-03 Delta_ex -0.5955154E-03 Delta_ec 0.1652880E-03 Delta_et -0.9964177E-03 Pxc 0.4448886E+01 Qxc -0.3602895E+01 3,+3 84 3 +3 -2.272759 -0.005290 0.005780 Rho 0.4729943E-02 |GRAD(Rho)| 0.3168273E-17 GRAD(Rho)x 0.8386764E-18 GRAD(Rho)y -0.2310462E-17 GRAD(Rho)z -0.1999085E-17 Laplacian 0.1946920E-01 (-1/4)Del**2(Rho)) -0.4867299E-02 Diamond 0.1603260E-03 Metallicity 0.4717279E+00 Ellipticity -0.3304702E+00 Gb(Abramov) 0.3627540E-02 Vb(Abramov) -0.2387780E-02 Hb(Abramov) 0.1239760E-02 Ex_ueg -0.5863985E-03 Ec_ueg -0.1353097E-03 Delta_ex -0.6966925E-03 Delta_ec 0.1470312E-03 Delta_et -0.9747916E-03 Pxc 0.4333751E+01 Qxc -0.4738400E+01 3,+3 85 3 +1 -1.182980 1.284826 2.177577 Rho 0.2803400E-01 |GRAD(Rho)| 0.1185006E-15 GRAD(Rho)x 0.3196025E-16 GRAD(Rho)y -0.1450938E-16 GRAD(Rho)z -0.1131831E-15 Laplacian 0.1143285E+00 (-1/4)Del**2(Rho)) -0.2858213E-01 Diamond 0.1907849E-01 Metallicity 0.1559314E+01 Ellipticity -0.7932608E+01 Gb(Abramov) 0.2648284E-01 Vb(Abramov) -0.2438355E-01 Hb(Abramov) 0.2099290E-02 Ex_ueg -0.6289727E-02 Ec_ueg -0.1242652E-02 Delta_ex -0.7478745E-02 Delta_ec 0.2201460E-02 Delta_et -0.1994137E-01 Pxc 0.5061536E+01 Qxc -0.3397175E+01 3,+1 86 3 +3 1.128152 -1.135138 -1.154379 Rho 0.4926224E-02 |GRAD(Rho)| 0.7469102E-13 GRAD(Rho)x -0.5221097E-13 GRAD(Rho)y 0.5204347E-13 GRAD(Rho)z -0.1201001E-13 Laplacian 0.1821404E-01 (-1/4)Del**2(Rho)) -0.4553511E-02 Diamond 0.1214918E-03 Metallicity 0.5395897E+00 Ellipticity -0.1524528E+00 Gb(Abramov) 0.3445178E-02 Vb(Abramov) -0.2336846E-02 Hb(Abramov) 0.1108332E-02 Ex_ueg -0.6190664E-03 Ec_ueg -0.1437393E-03 Delta_ex -0.6237187E-03 Delta_ec 0.7492574E-04 Delta_et -0.6070146E-03 Pxc 0.4306870E+01 Qxc -0.8324491E+01 3,+3 87 3 +1 -2.017489 -2.016142 -2.003525 Rho 0.1190384E-01 |GRAD(Rho)| 0.3293776E-13 GRAD(Rho)x 0.3221869E-13 GRAD(Rho)y 0.5087144E-14 GRAD(Rho)z 0.4579618E-14 Laplacian 0.5406905E-01 (-1/4)Del**2(Rho)) -0.1351726E-01 Diamond 0.1566408E-02 Metallicity 0.7909384E+00 Ellipticity -0.1059310E+01 Gb(Abramov) 0.1079340E-01 Vb(Abramov) -0.8069528E-02 Hb(Abramov) 0.2723867E-02 Ex_ueg -0.2007402E-02 Ec_ueg -0.4551315E-03 Delta_ex -0.2483744E-02 Delta_ec 0.4012321E-03 Delta_et -0.3234631E-02 Pxc 0.4410597E+01 Qxc -0.6190292E+01 3,+1 88 3 +1 -1.790106 -1.758467 1.775209 Rho 0.1194389E-01 |GRAD(Rho)| 0.1075733E-14 GRAD(Rho)x 0.9181135E-15 GRAD(Rho)y -0.4022045E-15 GRAD(Rho)z 0.3905146E-15 Laplacian 0.5844315E-01 (-1/4)Del**2(Rho)) -0.1461079E-01 Diamond 0.2280869E-02 Metallicity 0.7358493E+00 Ellipticity -0.1260563E+01 Gb(Abramov) 0.1153242E-01 Vb(Abramov) -0.8454042E-02 Hb(Abramov) 0.3078373E-02 Ex_ueg -0.2016412E-02 Ec_ueg -0.4569792E-03 Delta_ex -0.2855827E-02 Delta_ec 0.7347336E-03 Delta_et -0.5521344E-02 Pxc 0.4412481E+01 Qxc -0.3886888E+01 3,+1 89 3 +3 -1.971050 -1.975011 -1.962702 Rho 0.1189882E-01 |GRAD(Rho)| 0.7712492E-17 GRAD(Rho)x 0.5725337E-18 GRAD(Rho)y 0.4877743E-17 GRAD(Rho)z -0.5946626E-17 Laplacian 0.5379460E-01 (-1/4)Del**2(Rho)) -0.1344865E-01 Diamond 0.1386609E-02 Metallicity 0.7944154E+00 Ellipticity -0.9288047E+00 Gb(Abramov) 0.1074640E-01 Vb(Abramov) -0.8044154E-02 Hb(Abramov) 0.2702247E-02 Ex_ueg -0.2006274E-02 Ec_ueg -0.4549002E-03 Delta_ex -0.2420885E-02 Delta_ec 0.3099997E-03 Delta_et -0.2619372E-02 Pxc 0.4410361E+01 Qxc -0.7809314E+01 3,+3 90 3 +1 -1.674037 -0.524358 0.523003 Rho 0.8266121E-02 |GRAD(Rho)| 0.6485268E-17 GRAD(Rho)x 0.4632211E-19 GRAD(Rho)y -0.6482745E-17 GRAD(Rho)z 0.1748527E-18 Laplacian 0.3231152E-01 (-1/4)Del**2(Rho)) -0.8077881E-02 Diamond 0.8196030E-03 Metallicity 0.7207069E+00 Ellipticity -0.1427604E+01 Gb(Abramov) 0.6355551E-02 Vb(Abramov) -0.4633222E-02 Hb(Abramov) 0.1722330E-02 Ex_ueg -0.1234395E-02 Ec_ueg -0.2900663E-03 Delta_ex -0.1461572E-02 Delta_ec 0.4549468E-03 Delta_et -0.3077779E-02 Pxc 0.4255561E+01 Qxc -0.3212622E+01 3,+1 91 3 +1 -1.171010 2.178017 1.300858 Rho 0.2792105E-01 |GRAD(Rho)| 0.4419494E-14 GRAD(Rho)x -0.3421244E-14 GRAD(Rho)y -0.1892777E-14 GRAD(Rho)z 0.2060197E-14 Laplacian 0.1129650E+00 (-1/4)Del**2(Rho)) -0.2824125E-01 Diamond 0.1844617E-01 Metallicity 0.1567553E+01 Ellipticity -0.6684802E+01 Gb(Abramov) 0.2620577E-01 Vb(Abramov) -0.2417030E-01 Hb(Abramov) 0.2035474E-02 Ex_ueg -0.6255961E-02 Ec_ueg -0.1236880E-02 Delta_ex -0.7353521E-02 Delta_ec 0.2124920E-02 Delta_et -0.1923518E-01 Pxc 0.5057857E+01 Qxc -0.3460610E+01 3,+1 92 3 -1 -2.038745 -0.859908 -3.024730 Rho 0.1575680E+00 |GRAD(Rho)| 0.1495709E-13 GRAD(Rho)x -0.1208636E-13 GRAD(Rho)y 0.6655646E-14 GRAD(Rho)z -0.5773797E-14 Laplacian 0.6115571E+00 (-1/4)Del**2(Rho)) -0.1528893E+00 Diamond 0.1311810E+01 Metallicity 0.5179521E+01 Ellipticity 0.3693080E-01 Gb(Abramov) 0.2339084E+00 Vb(Abramov) -0.3149275E+00 Hb(Abramov) -0.8101911E-01 Ex_ueg -0.6285539E-01 Ec_ueg -0.8929723E-02 Delta_ex -0.6644972E-01 Delta_ec 0.1527696E-01 Delta_et -0.2045974E+00 Pxc 0.7038895E+01 Qxc -0.4349670E+01 3,-1 93 3 -1 -0.867222 2.991098 2.003175 Rho 0.1204960E+00 |GRAD(Rho)| 0.2577570E-15 GRAD(Rho)x -0.1038124E-15 GRAD(Rho)y -0.1937944E-15 GRAD(Rho)z -0.1345563E-15 Laplacian 0.4728999E+00 (-1/4)Del**2(Rho)) -0.1182250E+00 Diamond 0.7354566E+00 Metallicity 0.4283493E+01 Ellipticity 0.3058823E-01 Gb(Abramov) 0.1632193E+00 Vb(Abramov) -0.2082136E+00 Hb(Abramov) -0.4499432E-01 Ex_ueg -0.4395568E-01 Ec_ueg -0.6582549E-02 Delta_ex -0.4814600E-01 Delta_ec 0.1262188E-01 Delta_et -0.1623026E+00 Pxc 0.6677608E+01 Qxc -0.3814489E+01 3,-1 94 3 +3 -1.099078 -1.113825 1.125540 Rho 0.4792904E-02 |GRAD(Rho)| 0.7368633E-16 GRAD(Rho)x -0.4783924E-16 GRAD(Rho)y -0.4439820E-16 GRAD(Rho)z -0.3420355E-16 Laplacian 0.1844427E-01 (-1/4)Del**2(Rho)) -0.4611068E-02 Diamond 0.1242865E-03 Metallicity 0.5090373E+00 Ellipticity -0.1398148E+00 Gb(Abramov) 0.3465246E-02 Vb(Abramov) -0.2319424E-02 Hb(Abramov) 0.1145822E-02 Ex_ueg -0.5968292E-03 Ec_ueg -0.1380115E-03 Delta_ex -0.6324919E-03 Delta_ec 0.8604185E-04 Delta_et -0.6622960E-03 Pxc 0.4324488E+01 Qxc -0.7350980E+01 3,+3 95 3 -1 -1.728391 -0.533516 -1.744375 Rho 0.4603627E-01 |GRAD(Rho)| 0.1033387E-15 GRAD(Rho)x -0.5606680E-16 GRAD(Rho)y -0.4495204E-16 GRAD(Rho)z 0.7426107E-16 Laplacian 0.1851893E+00 (-1/4)Del**2(Rho)) -0.4629734E-01 Diamond 0.8316485E-01 Metallicity 0.2200379E+01 Ellipticity 0.1291575E-01 Gb(Abramov) 0.4784350E-01 Vb(Abramov) -0.4938967E-01 Hb(Abramov) -0.1546166E-02 Ex_ueg -0.1218574E-01 Ec_ueg -0.2196974E-02 Delta_ex -0.1489489E-01 Delta_ec 0.5457517E-02 Delta_et -0.5629902E-01 Pxc 0.5546602E+01 Qxc -0.2729244E+01 3,-1 96 3 -1 -1.844834 -0.567942 2.809150 Rho 0.1613097E+00 |GRAD(Rho)| 0.9444644E-15 GRAD(Rho)x -0.6832100E-15 GRAD(Rho)y 0.6419290E-15 GRAD(Rho)z -0.1147357E-15 Laplacian 0.6682677E+00 (-1/4)Del**2(Rho)) -0.1670669E+00 Diamond 0.1464290E+01 Metallicity 0.4929054E+01 Ellipticity 0.1353892E-01 Gb(Abramov) 0.2486249E+00 Vb(Abramov) -0.3301829E+00 Hb(Abramov) -0.8155800E-01 Ex_ueg -0.6485335E-01 Ec_ueg -0.9171385E-02 Delta_ex -0.7294376E-01 Delta_ec 0.1643089E-01 Delta_et -0.2202902E+00 Pxc 0.7071270E+01 Qxc -0.4439428E+01 3,-1 97 3 +1 -0.527998 1.687061 -0.566700 Rho 0.8142554E-02 |GRAD(Rho)| 0.2103788E-14 GRAD(Rho)x 0.1585921E-14 GRAD(Rho)y -0.1974671E-15 GRAD(Rho)z -0.1368132E-14 Laplacian 0.3114930E-01 (-1/4)Del**2(Rho)) -0.7787324E-02 Diamond 0.7871776E-03 Metallicity 0.7290645E+00 Ellipticity -0.1464786E+01 Gb(Abramov) 0.6137793E-02 Vb(Abramov) -0.4488262E-02 Hb(Abramov) 0.1649531E-02 Ex_ueg -0.1209853E-02 Ec_ueg -0.2845594E-03 Delta_ex -0.1410010E-02 Delta_ec 0.4499162E-03 Delta_et -0.3022592E-02 Pxc 0.4251671E+01 Qxc -0.3133939E+01 3,+1 98 3 -1 -1.839285 0.562747 -2.801405 Rho 0.1661859E+00 |GRAD(Rho)| 0.2298698E-14 GRAD(Rho)x 0.1751203E-14 GRAD(Rho)y 0.1327009E-14 GRAD(Rho)z 0.6755325E-15 Laplacian 0.6846891E+00 (-1/4)Del**2(Rho)) -0.1711723E+00 Diamond 0.1553903E+01 Metallicity 0.5055645E+01 Ellipticity 0.1330963E-01 Gb(Abramov) 0.2583459E+00 Vb(Abramov) -0.3455196E+00 Hb(Abramov) -0.8717363E-01 Ex_ueg -0.6748033E-01 Ec_ueg -0.9487571E-02 Delta_ex -0.7528445E-01 Delta_ec 0.1669093E-01 Delta_et -0.2245344E+00 Pxc 0.7112499E+01 Qxc -0.4510500E+01 3,-1 99 3 +3 -1.945753 1.921526 1.922703 Rho 0.1239754E-01 |GRAD(Rho)| 0.4902611E-16 GRAD(Rho)x 0.7291900E-17 GRAD(Rho)y -0.2810593E-16 GRAD(Rho)z -0.3950246E-16 Laplacian 0.5873577E-01 (-1/4)Del**2(Rho)) -0.1468394E-01 Diamond 0.1500754E-02 Metallicity 0.7791179E+00 Ellipticity -0.8270669E+00 Gb(Abramov) 0.1169605E-01 Vb(Abramov) -0.8708155E-02 Hb(Abramov) 0.2987894E-02 Ex_ueg -0.2119170E-02 Ec_ueg -0.4779519E-03 Delta_ex -0.2646348E-02 Delta_ec 0.2879462E-03 Delta_et -0.2534516E-02 Pxc 0.4433857E+01 Qxc -0.9190423E+01 3,+3 100 3 +1 -0.130118 -2.976540 -0.101606 Rho 0.5095575E-02 |GRAD(Rho)| 0.1135828E-16 GRAD(Rho)x 0.8462903E-17 GRAD(Rho)y -0.5746691E-18 GRAD(Rho)z -0.7553772E-17 Laplacian 0.2000436E-01 (-1/4)Del**2(Rho)) -0.5001090E-02 Diamond 0.4971804E-03 Metallicity 0.5197691E+00 Ellipticity -0.8173798E+01 Gb(Abramov) 0.3767295E-02 Vb(Abramov) -0.2533501E-02 Hb(Abramov) 0.1233795E-02 Ex_ueg -0.6476036E-03 Ec_ueg -0.1510281E-03 Delta_ex -0.1015128E-02 Delta_ec 0.6600707E-03 Delta_et -0.3593012E-02 Pxc 0.4287968E+01 Qxc -0.1537908E+01 3,+1 101 3 +1 -1.053503 -2.202862 -1.430639 Rho 0.2517726E-01 |GRAD(Rho)| 0.3206145E-16 GRAD(Rho)x -0.4200013E-17 GRAD(Rho)y 0.2832370E-16 GRAD(Rho)z 0.1442444E-16 Laplacian 0.9537031E-01 (-1/4)Del**2(Rho)) -0.2384258E-01 Diamond 0.1107149E-01 Metallicity 0.1562719E+01 Ellipticity -0.2477628E+01 Gb(Abramov) 0.2210492E-01 Vb(Abramov) -0.2036727E-01 Hb(Abramov) 0.1737653E-02 Ex_ueg -0.5449998E-02 Ec_ueg -0.1097643E-02 Delta_ex -0.5778781E-02 Delta_ec 0.1325657E-02 Delta_et -0.1178848E-01 Pxc 0.4965182E+01 Qxc -0.4359181E+01 3,+1 102 3 +1 0.545327 -1.700195 -0.555184 Rho 0.8207133E-02 |GRAD(Rho)| 0.3448803E-14 GRAD(Rho)x 0.2051225E-14 GRAD(Rho)y 0.5864262E-15 GRAD(Rho)z 0.2709765E-14 Laplacian 0.3104947E-01 (-1/4)Del**2(Rho)) -0.7762366E-02 Diamond 0.7727864E-03 Metallicity 0.7411023E+00 Ellipticity -0.1450447E+01 Gb(Abramov) 0.6133695E-02 Vb(Abramov) -0.4505025E-02 Hb(Abramov) 0.1628671E-02 Ex_ueg -0.1222664E-02 Ec_ueg -0.2874366E-03 Delta_ex -0.1398518E-02 Delta_ec 0.4310477E-03 Delta_et -0.2915763E-02 Pxc 0.4253682E+01 Qxc -0.3244462E+01 3,+1 103 3 +1 2.204147 -1.077114 1.416316 Rho 0.2560570E-01 |GRAD(Rho)| 0.1841129E-16 GRAD(Rho)x 0.1210533E-16 GRAD(Rho)y -0.1052163E-16 GRAD(Rho)z -0.9040565E-17 Laplacian 0.9847404E-01 (-1/4)Del**2(Rho)) -0.2461851E-01 Diamond 0.1246138E-01 Metallicity 0.1556631E+01 Ellipticity -0.2970400E+01 Gb(Abramov) 0.2279933E-01 Vb(Abramov) -0.2098015E-01 Hb(Abramov) 0.1819179E-02 Ex_ueg -0.5574004E-02 Ec_ueg -0.1119258E-02 Delta_ex -0.6074507E-02 Delta_ec 0.1511484E-02 Delta_et -0.1345462E-01 Pxc 0.4980087E+01 Qxc -0.4018904E+01 3,+1 104 3 -1 -0.883526 -2.008973 -3.025441 Rho 0.1054567E+00 |GRAD(Rho)| 0.1806854E-15 GRAD(Rho)x 0.1644599E-15 GRAD(Rho)y -0.5088974E-17 GRAD(Rho)z 0.7466087E-16 Laplacian 0.4343778E+00 (-1/4)Del**2(Rho)) -0.1085945E+00 Diamond 0.5948415E+00 Metallicity 0.3734244E+01 Ellipticity 0.9734842E-02 Gb(Abramov) 0.1399827E+00 Vb(Abramov) -0.1713709E+00 Hb(Abramov) -0.3138821E-01 Ex_ueg -0.3679743E-01 Ec_ueg -0.5656770E-02 Delta_ex -0.4316055E-01 Delta_ec 0.1250673E-01 Delta_et -0.1576956E+00 Pxc 0.6505024E+01 Qxc -0.3450985E+01 3,-1 105 3 +1 0.578192 1.704602 0.512728 Rho 0.8081925E-02 |GRAD(Rho)| 0.1782272E-15 GRAD(Rho)x -0.1468048E-15 GRAD(Rho)y -0.6419383E-16 GRAD(Rho)z 0.7805409E-16 Laplacian 0.3084621E-01 (-1/4)Del**2(Rho)) -0.7711552E-02 Diamond 0.7719869E-03 Metallicity 0.7271144E+00 Ellipticity -0.1464324E+01 Gb(Abramov) 0.6075565E-02 Vb(Abramov) -0.4439578E-02 Hb(Abramov) 0.1635987E-02 Ex_ueg -0.1197857E-02 Ec_ueg -0.2818600E-03 Delta_ex -0.1393853E-02 Delta_ec 0.4458522E-03 Delta_et -0.2989226E-02 Pxc 0.4249829E+01 Qxc -0.3126267E+01 3,+1 106 3 +1 0.161722 3.004138 -0.181953 Rho 0.4973536E-02 |GRAD(Rho)| 0.9429344E-17 GRAD(Rho)x 0.5978023E-17 GRAD(Rho)y 0.3800185E-18 GRAD(Rho)z 0.7282263E-17 Laplacian 0.1945537E-01 (-1/4)Del**2(Rho)) -0.4863843E-02 Diamond 0.3897953E-03 Metallicity 0.5132737E+00 Ellipticity -0.2011337E+01 Gb(Abramov) 0.3658643E-02 Vb(Abramov) -0.2453442E-02 Hb(Abramov) 0.1205201E-02 Ex_ueg -0.6270066E-03 Ec_ueg -0.1457741E-03 Delta_ex -0.9095667E-03 Delta_ec 0.5113206E-03 Delta_et -0.2813463E-02 Pxc 0.4301220E+01 Qxc -0.1778858E+01 3,+1 107 3 +3 0.031383 2.360311 -0.042081 Rho 0.4286662E-02 |GRAD(Rho)| 0.2636394E-16 GRAD(Rho)x -0.9209306E-17 GRAD(Rho)y -0.2303218E-16 GRAD(Rho)z 0.8931090E-17 Laplacian 0.1725102E-01 (-1/4)Del**2(Rho)) -0.4312754E-02 Diamond 0.1367800E-03 Metallicity 0.4518530E+00 Ellipticity -0.4128165E+00 Gb(Abramov) 0.3199958E-02 Vb(Abramov) -0.2087162E-02 Hb(Abramov) 0.1112796E-02 Ex_ueg -0.5142931E-03 Ec_ueg -0.1163453E-03 Delta_ex -0.6158760E-03 Delta_ec 0.1557496E-03 Delta_et -0.9664394E-03 Pxc 0.4420403E+01 Qxc -0.3954271E+01 3,+3 108 3 +1 1.775928 -1.803765 -1.785441 Rho 0.1143040E-01 |GRAD(Rho)| 0.1254522E-16 GRAD(Rho)x -0.8800275E-17 GRAD(Rho)y -0.2015350E-17 GRAD(Rho)z -0.8710694E-17 Laplacian 0.5355651E-01 (-1/4)Del**2(Rho)) -0.1338913E-01 Diamond 0.1912673E-02 Metallicity 0.7462822E+00 Ellipticity -0.1256399E+01 Gb(Abramov) 0.1059143E-01 Vb(Abramov) -0.7793732E-02 Hb(Abramov) 0.2797698E-02 Ex_ueg -0.1901663E-02 Ec_ueg -0.4333384E-03 Delta_ex -0.2569775E-02 Delta_ec 0.6428976E-03 Delta_et -0.4804707E-02 Pxc 0.4388401E+01 Qxc -0.3997177E+01 3,+1 109 3 +1 0.578810 0.522901 1.713958 Rho 0.7828554E-02 |GRAD(Rho)| 0.6831695E-13 GRAD(Rho)x -0.2139363E-13 GRAD(Rho)y -0.2264178E-13 GRAD(Rho)z -0.6080187E-13 Laplacian 0.2974866E-01 (-1/4)Del**2(Rho)) -0.7437165E-02 Diamond 0.6998534E-03 Metallicity 0.7149599E+00 Ellipticity -0.1434788E+01 Gb(Abramov) 0.5844322E-02 Vb(Abramov) -0.4251480E-02 Hb(Abramov) 0.1592842E-02 Ex_ueg -0.1148049E-02 Ec_ueg -0.2705968E-03 Delta_ex -0.1326909E-02 Delta_ec 0.4180591E-03 Delta_et -0.2789446E-02 Pxc 0.4242656E+01 Qxc -0.3173974E+01 3,+1 110 3 -1 -0.577536 -1.823237 2.828403 Rho 0.1058091E+00 |GRAD(Rho)| 0.4353229E-12 GRAD(Rho)x -0.2907706E-12 GRAD(Rho)y 0.3124499E-12 GRAD(Rho)z 0.8563620E-13 Laplacian 0.4578371E+00 (-1/4)Del**2(Rho)) -0.1144593E+00 Diamond 0.6334644E+00 Metallicity 0.3562655E+01 Ellipticity 0.2064880E-01 Gb(Abramov) 0.1442694E+00 Vb(Abramov) -0.1740794E+00 Hb(Abramov) -0.2981007E-01 Ex_ueg -0.3696146E-01 Ec_ueg -0.5678270E-02 Delta_ex -0.4558974E-01 Delta_ec 0.1328500E-01 Delta_et -0.1677644E+00 Pxc 0.6509281E+01 Qxc -0.3431670E+01 3,-1 111 3 +1 1.689316 -0.537580 -0.575699 Rho 0.8392909E-02 |GRAD(Rho)| 0.1196447E-16 GRAD(Rho)x 0.8614921E-17 GRAD(Rho)y -0.7840537E-17 GRAD(Rho)z -0.2730877E-17 Laplacian 0.3179288E-01 (-1/4)Del**2(Rho)) -0.7948221E-02 Diamond 0.8456197E-03 Metallicity 0.7512840E+00 Ellipticity -0.1502697E+01 Gb(Abramov) 0.6294042E-02 Vb(Abramov) -0.4639864E-02 Hb(Abramov) 0.1654178E-02 Ex_ueg -0.1259704E-02 Ec_ueg -0.2957239E-03 Delta_ex -0.1454016E-02 Delta_ec 0.4661563E-03 Delta_et -0.3150866E-02 Pxc 0.4259730E+01 Qxc -0.3119160E+01 3,+1 112 3 +3 0.030350 -0.032927 2.359674 Rho 0.4210666E-02 |GRAD(Rho)| 0.6108057E-17 GRAD(Rho)x -0.3442398E-17 GRAD(Rho)y -0.4775781E-17 GRAD(Rho)z -0.1627935E-17 Laplacian 0.1686978E-01 (-1/4)Del**2(Rho)) -0.4217445E-02 Diamond 0.1270064E-03 Metallicity 0.4484924E+00 Ellipticity -0.3437213E+00 Gb(Abramov) 0.3126879E-02 Vb(Abramov) -0.2036312E-02 Hb(Abramov) 0.1090566E-02 Ex_ueg -0.5021723E-03 Ec_ueg -0.1131043E-03 Delta_ex -0.5953901E-03 Delta_ec 0.1449176E-03 Delta_et -0.9059528E-03 Pxc 0.4439905E+01 Qxc -0.4108474E+01 3,+3 113 3 +1 0.146425 -0.163213 3.020196 Rho 0.4988151E-02 |GRAD(Rho)| 0.2024096E-14 GRAD(Rho)x 0.1389469E-14 GRAD(Rho)y -0.1455790E-14 GRAD(Rho)z 0.2168363E-15 Laplacian 0.1945931E-01 (-1/4)Del**2(Rho)) -0.4864827E-02 Diamond 0.4071903E-03 Metallicity 0.5156858E+00 Ellipticity -0.2259814E+01 Gb(Abramov) 0.3661338E-02 Vb(Abramov) -0.2457850E-02 Hb(Abramov) 0.1203489E-02 Ex_ueg -0.6294645E-03 Ec_ueg -0.1464029E-03 Delta_ex -0.9249905E-03 Delta_ec 0.5376569E-03 Delta_et -0.2948220E-02 Pxc 0.4299534E+01 Qxc -0.1720410E+01 3,+1 114 3 -1 -0.444792 0.472937 0.463964 Rho 0.1794155E+00 |GRAD(Rho)| 0.3152046E-15 GRAD(Rho)x -0.2844947E-15 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z -0.1040834E-16 Laplacian 0.4712071E+00 (-1/4)Del**2(Rho)) -0.1178018E+00 Diamond 0.1211505E+01 Metallicity 0.8346443E+01 Ellipticity 0.9007288E-03 Gb(Abramov) 0.2424055E+00 Vb(Abramov) -0.3670091E+00 Hb(Abramov) -0.1246037E+00 Ex_ueg -0.7473633E-01 Ec_ueg -0.1035243E-01 Delta_ex -0.5312348E-01 Delta_ec 0.1180617E-01 Delta_et -0.1618041E+00 Pxc 0.7219206E+01 Qxc -0.4499638E+01 3,-1 115 3 -1 -0.882547 -3.029345 -1.997914 Rho 0.9879992E-01 |GRAD(Rho)| 0.2588397E-15 GRAD(Rho)x -0.1061298E-15 GRAD(Rho)y 0.8849800E-16 GRAD(Rho)z 0.2188665E-15 Laplacian 0.4123563E+00 (-1/4)Del**2(Rho)) -0.1030891E+00 Diamond 0.5210975E+00 Metallicity 0.3528593E+01 Ellipticity 0.5708986E-02 Gb(Abramov) 0.1293526E+00 Vb(Abramov) -0.1556161E+00 Hb(Abramov) -0.2626354E-01 Ex_ueg -0.3373343E-01 Ec_ueg -0.5252413E-02 Delta_ex -0.4034465E-01 Delta_ec 0.1201503E-01 Delta_et -0.1494740E+00 Pxc 0.6422464E+01 Qxc -0.3357849E+01 3,-1 116 3 -1 -0.581202 -2.808789 1.832739 Rho 0.1043798E+00 |GRAD(Rho)| 0.4763950E-16 GRAD(Rho)x 0.4865357E-17 GRAD(Rho)y -0.1516189E-16 GRAD(Rho)z 0.4489952E-16 Laplacian 0.4567945E+00 (-1/4)Del**2(Rho)) -0.1141986E+00 Diamond 0.6212334E+00 Metallicity 0.3490757E+01 Ellipticity 0.1611111E-01 Gb(Abramov) 0.1425724E+00 Vb(Abramov) -0.1709461E+00 Hb(Abramov) -0.2837373E-01 Ex_ueg -0.3629724E-01 Ec_ueg -0.5591119E-02 Delta_ex -0.4533473E-01 Delta_ec 0.1327951E-01 Delta_et -0.1672195E+00 Pxc 0.6491945E+01 Qxc -0.3413887E+01 3,-1 117 3 -1 -0.049406 -3.272155 3.251065 Rho 0.2090954E+00 |GRAD(Rho)| 0.2466499E-15 GRAD(Rho)x -0.9709030E-16 GRAD(Rho)y -0.1406210E-15 GRAD(Rho)z 0.1778634E-15 Laplacian 0.7873372E+00 (-1/4)Del**2(Rho)) -0.1968343E+00 Diamond 0.2358782E+01 Metallicity 0.6447032E+01 Ellipticity 0.2817440E-02 Gb(Abramov) 0.3427224E+00 Vb(Abramov) -0.4886104E+00 Hb(Abramov) -0.1458881E+00 Ex_ueg -0.9165954E-01 Ec_ueg -0.1232899E-01 Delta_ex -0.9178676E-01 Delta_ec 0.1809254E-01 Delta_et -0.2488177E+00 Pxc 0.7434474E+01 Qxc -0.5073182E+01 3,-1 118 3 +3 -0.002555 -2.354268 0.015800 Rho 0.4313750E-02 |GRAD(Rho)| 0.1183859E-15 GRAD(Rho)x -0.7845813E-16 GRAD(Rho)y 0.5108296E-16 GRAD(Rho)z -0.7245746E-16 Laplacian 0.1731744E-01 (-1/4)Del**2(Rho)) -0.4329361E-02 Diamond 0.1376733E-03 Metallicity 0.4548703E+00 Ellipticity -0.2874560E+00 Gb(Abramov) 0.3214457E-02 Vb(Abramov) -0.2099553E-02 Hb(Abramov) 0.1114904E-02 Ex_ueg -0.5186308E-03 Ec_ueg -0.1175012E-03 Delta_ex -0.6183231E-03 Delta_ec 0.1547107E-03 Delta_et -0.9637864E-03 Pxc 0.4413832E+01 Qxc -0.3996641E+01 3,+3 119 3 -1 -0.073592 -2.979554 -0.041878 Rho 0.5096824E-02 |GRAD(Rho)| 0.1271922E-14 GRAD(Rho)x 0.8903404E-15 GRAD(Rho)y -0.3263243E-15 GRAD(Rho)z 0.8476984E-15 Laplacian 0.1984836E-01 (-1/4)Del**2(Rho)) -0.4962091E-02 Diamond 0.5223475E-03 Metallicity 0.5240684E+00 Ellipticity 0.8510551E+01 Gb(Abramov) 0.3741473E-02 Vb(Abramov) -0.2520855E-02 Hb(Abramov) 0.1220618E-02 Ex_ueg -0.6478154E-03 Ec_ueg -0.1510819E-03 Delta_ex -0.1033400E-02 Delta_ec 0.7015962E-03 Delta_et -0.3801365E-02 Pxc 0.4287842E+01 Qxc -0.1472927E+01 3,-1 120 3 -1 -2.023789 0.854733 2.995677 Rho 0.1449529E+00 |GRAD(Rho)| 0.1119146E-12 GRAD(Rho)x -0.7719479E-13 GRAD(Rho)y 0.2496588E-13 GRAD(Rho)z -0.7708798E-13 Laplacian 0.5655645E+00 (-1/4)Del**2(Rho)) -0.1413911E+00 Diamond 0.1099912E+01 Metallicity 0.4873517E+01 Ellipticity 0.4316710E-01 Gb(Abramov) 0.2091061E+00 Vb(Abramov) -0.2768210E+00 Hb(Abramov) -0.6771496E-01 Ex_ueg -0.5623683E-01 Ec_ueg -0.8121213E-02 Delta_ex -0.6022815E-01 Delta_ec 0.1447080E-01 Delta_et -0.1916990E+00 Pxc 0.6924684E+01 Qxc -0.4162048E+01 3,-1 121 3 -1 -0.509454 -1.739272 -1.744416 Rho 0.4227657E-01 |GRAD(Rho)| 0.1197690E-13 GRAD(Rho)x 0.8902523E-14 GRAD(Rho)y 0.1719366E-14 GRAD(Rho)z -0.7825277E-14 Laplacian 0.1800235E+00 (-1/4)Del**2(Rho)) -0.4500587E-01 Diamond 0.7820744E-01 Metallicity 0.1963889E+01 Ellipticity 0.1097899E-01 Gb(Abramov) 0.4473500E-01 Vb(Abramov) -0.4446413E-01 Hb(Abramov) 0.2708673E-03 Ex_ueg -0.1087722E-01 Ec_ueg -0.1992624E-02 Delta_ex -0.1450870E-01 Delta_ec 0.5905794E-02 Delta_et -0.5965462E-01 Pxc 0.5458745E+01 Qxc -0.2456689E+01 3,-1 122 3 -1 -0.567751 1.836692 -2.816105 Rho 0.9903367E-01 |GRAD(Rho)| 0.1157117E-12 GRAD(Rho)x 0.6681088E-13 GRAD(Rho)y 0.9283230E-13 GRAD(Rho)z 0.1754068E-13 Laplacian 0.4318386E+00 (-1/4)Del**2(Rho)) -0.1079597E+00 Diamond 0.5524707E+00 Metallicity 0.3382698E+01 Ellipticity 0.2095146E-01 Gb(Abramov) 0.1328389E+00 Vb(Abramov) -0.1577182E+00 Hb(Abramov) -0.2487926E-01 Ex_ueg -0.3383989E-01 Ec_ueg -0.5266552E-02 Delta_ex -0.4236378E-01 Delta_ec 0.1273698E-01 Delta_et -0.1587182E+00 Pxc 0.6425434E+01 Qxc -0.3326045E+01 3,-1 123 3 -1 -0.505609 1.733755 1.735589 Rho 0.4644690E-01 |GRAD(Rho)| 0.2274060E-16 GRAD(Rho)x 0.1495225E-17 GRAD(Rho)y 0.2035759E-16 GRAD(Rho)z 0.1002336E-16 Laplacian 0.1854684E+00 (-1/4)Del**2(Rho)) -0.4636710E-01 Diamond 0.8459699E-01 Metallicity 0.2229827E+01 Ellipticity 0.1249780E-01 Gb(Abramov) 0.4814317E-01 Vb(Abramov) -0.4991923E-01 Hb(Abramov) -0.1776067E-02 Ex_ueg -0.1233088E-01 Ec_ueg -0.2219434E-02 Delta_ex -0.1496465E-01 Delta_ec 0.5490433E-02 Delta_et -0.5677690E-01 Pxc 0.5555867E+01 Qxc -0.2725586E+01 3,-1 124 3 -1 -0.864780 1.999956 2.991183 Rho 0.1215772E+00 |GRAD(Rho)| 0.3549730E-12 GRAD(Rho)x 0.2695542E-12 GRAD(Rho)y 0.2022860E-12 GRAD(Rho)z -0.1114754E-12 Laplacian 0.4786421E+00 (-1/4)Del**2(Rho)) -0.1196605E+00 Diamond 0.7520499E+00 Metallicity 0.4295587E+01 Ellipticity 0.3010704E-01 Gb(Abramov) 0.1654424E+00 Vb(Abramov) -0.2112242E+00 Hb(Abramov) -0.4578186E-01 Ex_ueg -0.4448237E-01 Ec_ueg -0.6649731E-02 Delta_ex -0.4882976E-01 Delta_ec 0.1273959E-01 Delta_et -0.1640540E+00 Pxc 0.6689349E+01 Qxc -0.3832915E+01 3,-1 125 3 -1 -0.568120 2.826264 -1.830750 Rho 0.1004021E+00 |GRAD(Rho)| 0.1908591E-13 GRAD(Rho)x -0.1745389E-13 GRAD(Rho)y -0.7212811E-14 GRAD(Rho)z -0.2758427E-14 Laplacian 0.4368633E+00 (-1/4)Del**2(Rho)) -0.1092158E+00 Diamond 0.5689514E+00 Metallicity 0.3421151E+01 Ellipticity 0.2088667E-01 Gb(Abramov) 0.1350845E+00 Vb(Abramov) -0.1609532E+00 Hb(Abramov) -0.2586869E-01 Ex_ueg -0.3446477E-01 Ec_ueg -0.5349415E-02 Delta_ex -0.4300423E-01 Delta_ec 0.1286909E-01 Delta_et -0.1608463E+00 Pxc 0.6442717E+01 Qxc -0.3341668E+01 3,-1 126 3 -1 0.044199 3.224220 3.219767 Rho 0.2321905E+00 |GRAD(Rho)| 0.6362082E-14 GRAD(Rho)x 0.3014855E-14 GRAD(Rho)y -0.5602344E-14 GRAD(Rho)z -0.2211772E-16 Laplacian 0.8540942E+00 (-1/4)Del**2(Rho)) -0.2135236E+00 Diamond 0.2900600E+01 Metallicity 0.7076980E+01 Ellipticity 0.1326757E-02 Gb(Abramov) 0.3941994E+00 Vb(Abramov) -0.5748752E+00 Hb(Abramov) -0.1806758E+00 Ex_ueg -0.1054009E+00 Ec_ueg -0.1390093E-01 Delta_ex -0.1022937E+00 Delta_ec 0.1903041E-01 Delta_et -0.2631772E+00 Pxc 0.7582288E+01 Qxc -0.5375273E+01 3,-1 127 3 -1 -0.053497 3.276390 -3.267077 Rho 0.2081443E+00 |GRAD(Rho)| 0.5408649E-14 GRAD(Rho)x 0.1349750E-14 GRAD(Rho)y -0.3755405E-14 GRAD(Rho)z 0.3650834E-14 Laplacian 0.7847274E+00 (-1/4)Del**2(Rho)) -0.1961818E+00 Diamond 0.2338026E+01 Metallicity 0.6419512E+01 Ellipticity 0.5772858E-03 Gb(Abramov) 0.3406865E+00 Vb(Abramov) -0.4851912E+00 Hb(Abramov) -0.1445047E+00 Ex_ueg -0.9110408E-01 Ec_ueg -0.1226489E-01 Delta_ex -0.9137487E-01 Delta_ec 0.1805453E-01 Delta_et -0.2482129E+00 Pxc 0.7428042E+01 Qxc -0.5061050E+01 3,-1 128 3 -1 0.896947 2.038944 -3.087042 Rho 0.1321670E+00 |GRAD(Rho)| 0.4744909E-12 GRAD(Rho)x -0.3371651E-12 GRAD(Rho)y 0.3338563E-12 GRAD(Rho)z 0.1135539E-14 Laplacian 0.5322579E+00 (-1/4)Del**2(Rho)) -0.1330645E+00 Diamond 0.9448039E+00 Metallicity 0.4439793E+01 Ellipticity 0.1687573E-01 Gb(Abramov) 0.1871728E+00 Vb(Abramov) -0.2412811E+00 Hb(Abramov) -0.5410831E-01 Ex_ueg -0.4972206E-01 Ec_ueg -0.7311916E-02 Delta_ex -0.5563915E-01 Delta_ec 0.1431401E-01 Delta_et -0.1877103E+00 Pxc 0.6800142E+01 Qxc -0.3887041E+01 3,-1 129 3 -1 -1.735248 -1.746575 -0.537663 Rho 0.4417230E-01 |GRAD(Rho)| 0.5749012E-14 GRAD(Rho)x -0.3745268E-14 GRAD(Rho)y 0.7445657E-15 GRAD(Rho)z 0.4297642E-14 Laplacian 0.1774472E+00 (-1/4)Del**2(Rho)) -0.4436180E-01 Diamond 0.7513206E-01 Metallicity 0.2143519E+01 Ellipticity 0.1375349E-01 Gb(Abramov) 0.4542293E-01 Vb(Abramov) -0.4648406E-01 Hb(Abramov) -0.1061130E-02 Ex_ueg -0.1153237E-01 Ec_ueg -0.2095367E-02 Delta_ex -0.1411497E-01 Delta_ec 0.5212675E-02 Delta_et -0.5318539E-01 Pxc 0.5503745E+01 Qxc -0.2707817E+01 3,-1 130 3 -1 -0.453788 -0.471048 -0.483006 Rho 0.1812955E+00 |GRAD(Rho)| 0.3728001E-15 GRAD(Rho)x 0.3608225E-15 GRAD(Rho)y 0.9367507E-16 GRAD(Rho)z 0.3469447E-17 Laplacian 0.4812824E+00 (-1/4)Del**2(Rho)) -0.1203206E+00 Diamond 0.1249545E+01 Metallicity 0.8314920E+01 Ellipticity 0.5728274E-02 Gb(Abramov) 0.2469564E+00 Vb(Abramov) -0.3735923E+00 Hb(Abramov) -0.1266358E+00 Ex_ueg -0.7578228E-01 Ec_ueg -0.1047615E-01 Delta_ex -0.5437434E-01 Delta_ec 0.1197837E-01 Delta_et -0.1642215E+00 Pxc 0.7233792E+01 Qxc -0.4539376E+01 3,-1 131 3 -1 0.496091 -0.475699 0.462458 Rho 0.1846024E+00 |GRAD(Rho)| 0.1372954E-15 GRAD(Rho)x 0.7979728E-16 GRAD(Rho)y 0.4857226E-16 GRAD(Rho)z 0.1006140E-15 Laplacian 0.4967281E+00 (-1/4)Del**2(Rho)) -0.1241820E+00 Diamond 0.1313509E+01 Metallicity 0.8302777E+01 Ellipticity 0.3492080E-02 Gb(Abramov) 0.2546306E+00 Vb(Abramov) -0.3850792E+00 Hb(Abramov) -0.1304486E+00 Ex_ueg -0.7763094E-01 Ec_ueg -0.1069427E-01 Delta_ex -0.5634083E-01 Delta_ec 0.1224471E-01 Delta_et -0.1680297E+00 Pxc 0.7259118E+01 Qxc -0.4601238E+01 3,-1 132 3 -1 0.496530 0.479812 -0.492673 Rho 0.1861139E+00 |GRAD(Rho)| 0.4193010E-15 GRAD(Rho)x 0.1075529E-15 GRAD(Rho)y 0.1457168E-15 GRAD(Rho)z -0.3781697E-15 Laplacian 0.5050455E+00 (-1/4)Del**2(Rho)) -0.1262614E+00 Diamond 0.1344284E+01 Metallicity 0.8277782E+01 Ellipticity 0.1006823E-02 Gb(Abramov) 0.2583683E+00 Vb(Abramov) -0.3904752E+00 Hb(Abramov) -0.1321069E+00 Ex_ueg -0.7847960E-01 Ec_ueg -0.1079417E-01 Delta_ex -0.5736922E-01 Delta_ec 0.1236489E-01 Delta_et -0.1696493E+00 Pxc 0.7270555E+01 Qxc -0.4639685E+01 3,-1 133 3 -1 1.761115 -0.539332 1.748009 Rho 0.4069576E-01 |GRAD(Rho)| 0.8310520E-16 GRAD(Rho)x 0.5994325E-16 GRAD(Rho)y 0.2726048E-16 GRAD(Rho)z 0.5069662E-16 Laplacian 0.1740780E+00 (-1/4)Del**2(Rho)) -0.4351949E-01 Diamond 0.7167918E-01 Metallicity 0.1905979E+01 Ellipticity 0.1815508E-01 Gb(Abramov) 0.4283753E-01 Vb(Abramov) -0.4215557E-01 Hb(Abramov) 0.6819605E-03 Ex_ueg -0.1033834E-01 Ec_ueg -0.1907424E-02 Delta_ex -0.1389263E-01 Delta_ec 0.5698722E-02 Delta_et -0.5696287E-01 Pxc 0.5420051E+01 Qxc -0.2437850E+01 3,-1 134 3 -1 0.061047 -3.264998 -3.241405 Rho 0.2090081E+00 |GRAD(Rho)| 0.1170634E-11 GRAD(Rho)x -0.1591268E-12 GRAD(Rho)y 0.8379603E-12 GRAD(Rho)z 0.8018007E-12 Laplacian 0.7861334E+00 (-1/4)Del**2(Rho)) -0.1965334E+00 Diamond 0.2353964E+01 Metallicity 0.6452412E+01 Ellipticity 0.3511518E-02 Gb(Abramov) 0.3423746E+00 Vb(Abramov) -0.4882159E+00 Hb(Abramov) -0.1458412E+00 Ex_ueg -0.9160852E-01 Ec_ueg -0.1232310E-01 Delta_ex -0.9163640E-01 Delta_ec 0.1806664E-01 Delta_et -0.2484531E+00 Pxc 0.7433885E+01 Qxc -0.5072132E+01 3,-1 135 3 +1 0.125995 -2.986555 0.167228 Rho 0.5059259E-02 |GRAD(Rho)| 0.2015570E-16 GRAD(Rho)x -0.1732932E-16 GRAD(Rho)y 0.7269438E-17 GRAD(Rho)z -0.7287116E-17 Laplacian 0.1997754E-01 (-1/4)Del**2(Rho)) -0.4994385E-02 Diamond 0.4531206E-03 Metallicity 0.5142994E+00 Ellipticity -0.2915482E+01 Gb(Abramov) 0.3757691E-02 Vb(Abramov) -0.2520998E-02 Hb(Abramov) 0.1236693E-02 Ex_ueg -0.6414570E-03 Ec_ueg -0.1494638E-03 Delta_ex -0.9770656E-03 Delta_ec 0.5961189E-03 Delta_et -0.3262208E-02 Pxc 0.4291721E+01 Qxc -0.1639045E+01 3,+1 136 3 -1 0.555684 -1.747949 1.750299 Rho 0.4190055E-01 |GRAD(Rho)| 0.2462560E-12 GRAD(Rho)x -0.8770195E-13 GRAD(Rho)y 0.1480661E-13 GRAD(Rho)z -0.2296326E-12 Laplacian 0.1800263E+00 (-1/4)Del**2(Rho)) -0.4500656E-01 Diamond 0.7711004E-01 Metallicity 0.1934833E+01 Ellipticity 0.1807815E-01 Gb(Abramov) 0.4451774E-01 Vb(Abramov) -0.4402892E-01 Hb(Abramov) 0.4888212E-03 Ex_ueg -0.1074842E-01 Ec_ueg -0.1972318E-02 Delta_ex -0.1446890E-01 Delta_ec 0.5891049E-02 Delta_et -0.5935827E-01 Pxc 0.5449640E+01 Qxc -0.2456083E+01 3,-1 137 3 -1 0.595709 -2.835437 -1.808063 Rho 0.1222776E+00 |GRAD(Rho)| 0.1734697E-15 GRAD(Rho)x -0.7971596E-16 GRAD(Rho)y -0.1016440E-17 GRAD(Rho)z -0.1540651E-15 Laplacian 0.5234260E+00 (-1/4)Del**2(Rho)) -0.1308565E+00 Diamond 0.8532298E+00 Metallicity 0.3965850E+01 Ellipticity 0.1406071E-01 Gb(Abramov) 0.1737305E+00 Vb(Abramov) -0.2166046E+00 Hb(Abramov) -0.4287404E-01 Ex_ueg -0.4482439E-01 Ec_ueg -0.6693294E-02 Delta_ex -0.5380044E-01 Delta_ec 0.1449934E-01 Delta_et -0.1878963E+00 Pxc 0.6696911E+01 Qxc -0.3710544E+01 3,-1 138 3 -1 0.567340 1.762300 -1.763065 Rho 0.4264586E-01 |GRAD(Rho)| 0.1797938E-15 GRAD(Rho)x 0.3456191E-16 GRAD(Rho)y -0.1687468E-15 GRAD(Rho)z 0.5153476E-16 Laplacian 0.1839295E+00 (-1/4)Del**2(Rho)) -0.4598237E-01 Diamond 0.8073886E-01 Metallicity 0.1950249E+01 Ellipticity 0.1907825E-01 Gb(Abramov) 0.4560108E-01 Vb(Abramov) -0.4521980E-01 Hb(Abramov) 0.3812818E-03 Ex_ueg -0.1100409E-01 Ec_ueg -0.2012590E-02 Delta_ex -0.1484883E-01 Delta_ec 0.6022706E-02 Delta_et -0.6097887E-01 Pxc 0.5467628E+01 Qxc -0.2465475E+01 3,-1 139 3 -1 0.562454 1.833227 2.839214 Rho 0.1666682E+00 |GRAD(Rho)| 0.3293773E-12 GRAD(Rho)x -0.1966249E-12 GRAD(Rho)y 0.2592679E-12 GRAD(Rho)z -0.5107011E-13 Laplacian 0.6833673E+00 (-1/4)Del**2(Rho)) -0.1708418E+00 Diamond 0.1555919E+01 Metallicity 0.5089951E+01 Ellipticity 0.1406575E-01 Gb(Abramov) 0.2588240E+00 Vb(Abramov) -0.3468061E+00 Hb(Abramov) -0.8798214E-01 Ex_ueg -0.6774159E-01 Ec_ueg -0.9518922E-02 Delta_ex -0.7519014E-01 Delta_ec 0.1664020E-01 Delta_et -0.2239109E+00 Pxc 0.7116519E+01 Qxc -0.4518585E+01 3,-1 140 3 +1 1.360721 -1.123608 2.213976 Rho 0.2476475E-01 |GRAD(Rho)| 0.5949014E-15 GRAD(Rho)x 0.4423469E-15 GRAD(Rho)y 0.2866638E-15 GRAD(Rho)z 0.2757913E-15 Laplacian 0.9170996E-01 (-1/4)Del**2(Rho)) -0.2292749E-01 Diamond 0.1198484E-01 Metallicity 0.1580957E+01 Ellipticity -0.5343669E+01 Gb(Abramov) 0.2132622E-01 Vb(Abramov) -0.1972495E-01 Hb(Abramov) 0.1601268E-02 Ex_ueg -0.5331267E-02 Ec_ueg -0.1076877E-02 Delta_ex -0.5705461E-02 Delta_ec 0.1584779E-02 Delta_et -0.1395000E-01 Pxc 0.4950673E+01 Qxc -0.3600162E+01 3,+1 141 3 -1 0.875911 -2.019585 3.078228 Rho 0.1372639E+00 |GRAD(Rho)| 0.2298413E-15 GRAD(Rho)x 0.1043545E-16 GRAD(Rho)y -0.1158063E-15 GRAD(Rho)z -0.1982599E-15 Laplacian 0.5519905E+00 (-1/4)Del**2(Rho)) -0.1379976E+00 Diamond 0.1025276E+01 Metallicity 0.4559761E+01 Ellipticity 0.1538064E-01 Gb(Abramov) 0.1968711E+00 Vb(Abramov) -0.2557446E+00 Hb(Abramov) -0.5887349E-01 Ex_ueg -0.5229500E-01 Ec_ueg -0.7633274E-02 Delta_ex -0.5822867E-01 Delta_ec 0.1470898E-01 Delta_et -0.1940761E+00 Pxc 0.6850926E+01 Qxc -0.3958714E+01 3,-1 142 3 -1 0.600870 -1.843160 -2.847234 Rho 0.1418362E+00 |GRAD(Rho)| 0.1778374E-15 GRAD(Rho)x -0.9611452E-16 GRAD(Rho)y 0.1491862E-15 GRAD(Rho)z -0.1147221E-16 Laplacian 0.5980959E+00 (-1/4)Del**2(Rho)) -0.1495240E+00 Diamond 0.1153751E+01 Metallicity 0.4444477E+01 Ellipticity 0.1250573E-01 Gb(Abramov) 0.2104419E+00 Vb(Abramov) -0.2713599E+00 Hb(Abramov) -0.6091797E-01 Ex_ueg -0.5463039E-01 Ec_ueg -0.7922976E-02 Delta_ex -0.6357566E-01 Delta_ec 0.1577873E-01 Delta_et -0.2091968E+00 Pxc 0.6895186E+01 Qxc -0.4029199E+01 3,-1 143 3 -1 0.557526 2.822213 1.832991 Rho 0.1729731E+00 |GRAD(Rho)| 0.3543505E-15 GRAD(Rho)x -0.1083660E-15 GRAD(Rho)y 0.2000353E-16 GRAD(Rho)z 0.3367803E-15 Laplacian 0.7087279E+00 (-1/4)Del**2(Rho)) -0.1771820E+00 Diamond 0.1683305E+01 Metallicity 0.5221129E+01 Ellipticity 0.1485753E-01 Gb(Abramov) 0.2723030E+00 Vb(Abramov) -0.3674240E+00 Hb(Abramov) -0.9512101E-01 Ex_ueg -0.7117974E-01 Ec_ueg -0.9929999E-02 Delta_ex -0.7867680E-01 Delta_ec 0.1703397E-01 Delta_et -0.2300018E+00 Pxc 0.7168152E+01 Qxc -0.4618819E+01 3,-1 144 3 -1 1.817834 0.582763 2.854495 Rho 0.9970958E-01 |GRAD(Rho)| 0.3074220E-13 GRAD(Rho)x 0.2010924E-14 GRAD(Rho)y 0.2963773E-13 GRAD(Rho)z -0.7914794E-14 Laplacian 0.4296574E+00 (-1/4)Del**2(Rho)) -0.1074143E+00 Diamond 0.5539938E+00 Metallicity 0.3438632E+01 Ellipticity 0.2306793E-01 Gb(Abramov) 0.1331693E+00 Vb(Abramov) -0.1589242E+00 Hb(Abramov) -0.2575495E-01 Ex_ueg -0.3414818E-01 Ec_ueg -0.5307463E-02 Delta_ex -0.4221193E-01 Delta_ec 0.1264750E-01 Delta_et -0.1578180E+00 Pxc 0.6433993E+01 Qxc -0.3337572E+01 3,-1 145 3 -1 0.886530 3.091187 -2.023539 Rho 0.1377984E+00 |GRAD(Rho)| 0.1181987E-13 GRAD(Rho)x 0.4623363E-14 GRAD(Rho)y -0.5867038E-14 GRAD(Rho)z 0.9160329E-14 Laplacian 0.5512013E+00 (-1/4)Del**2(Rho)) -0.1378003E+00 Diamond 0.1028729E+01 Metallicity 0.4595966E+01 Ellipticity 0.1723319E-01 Gb(Abramov) 0.1974211E+00 Vb(Abramov) -0.2570420E+00 Hb(Abramov) -0.5962082E-01 Ex_ueg -0.5256671E-01 Ec_ueg -0.7667074E-02 Delta_ex -0.5820144E-01 Delta_ec 0.1467681E-01 Delta_et -0.1937767E+00 Pxc 0.6856163E+01 Qxc -0.3965538E+01 3,-1 146 3 +1 1.745475 1.800033 1.812078 Rho 0.1145147E-01 |GRAD(Rho)| 0.1364762E-16 GRAD(Rho)x -0.9348839E-17 GRAD(Rho)y -0.1322617E-17 GRAD(Rho)z 0.9854311E-17 Laplacian 0.5400774E-01 (-1/4)Del**2(Rho)) -0.1350194E-01 Diamond 0.1968783E-02 Metallicity 0.7423226E+00 Ellipticity -0.1275257E+01 Gb(Abramov) 0.1067176E-01 Vb(Abramov) -0.7841576E-02 Hb(Abramov) 0.2830180E-02 Ex_ueg -0.1906339E-02 Ec_ueg -0.4343066E-03 Delta_ex -0.2603495E-02 Delta_ec 0.6675967E-03 Delta_et -0.4975085E-02 Pxc 0.4389385E+01 Qxc -0.3899803E+01 3,+1 147 3 -1 1.827267 2.838434 0.571968 Rho 0.9152628E-01 |GRAD(Rho)| 0.4028590E-14 GRAD(Rho)x 0.3060649E-14 GRAD(Rho)y -0.5851558E-15 GRAD(Rho)z -0.2553344E-14 Laplacian 0.3973250E+00 (-1/4)Del**2(Rho)) -0.9933126E-01 Diamond 0.4630947E+00 Metallicity 0.3223866E+01 Ellipticity 0.2660634E-01 Gb(Abramov) 0.1195926E+00 Vb(Abramov) -0.1398540E+00 Hb(Abramov) -0.2026136E-01 Ex_ueg -0.3046348E-01 Ec_ueg -0.4814670E-02 Delta_ex -0.3830127E-01 Delta_ec 0.1194907E-01 Delta_et -0.1464614E+00 Pxc 0.6327221E+01 Qxc -0.3205376E+01 3,-1 148 3 -1 1.758025 -1.749008 0.527624 Rho 0.4383641E-01 |GRAD(Rho)| 0.3997262E-14 GRAD(Rho)x 0.2458625E-14 GRAD(Rho)y 0.1465941E-14 GRAD(Rho)z 0.2790033E-14 Laplacian 0.1761580E+00 (-1/4)Del**2(Rho)) -0.4403951E-01 Diamond 0.7384388E-01 Metallicity 0.2131911E+01 Ellipticity 0.1370248E-01 Gb(Abramov) 0.4500772E-01 Vb(Abramov) -0.4597594E-01 Hb(Abramov) -0.9682131E-03 Ex_ueg -0.1141559E-01 Ec_ueg -0.2077118E-02 Delta_ex -0.1398712E-01 Delta_ec 0.5177640E-02 Delta_et -0.5272160E-01 Pxc 0.5495879E+01 Qxc -0.2701446E+01 3,-1 149 3 +1 1.684013 0.571959 0.553606 Rho 0.8203678E-02 |GRAD(Rho)| 0.8871656E-17 GRAD(Rho)x -0.4993524E-19 GRAD(Rho)y 0.8424117E-17 GRAD(Rho)z -0.2781736E-17 Laplacian 0.3037276E-01 (-1/4)Del**2(Rho)) -0.7593189E-02 Diamond 0.7728970E-03 Metallicity 0.7570826E+00 Ellipticity -0.1505004E+01 Gb(Abramov) 0.6020238E-02 Vb(Abramov) -0.4447287E-02 Hb(Abramov) 0.1572951E-02 Ex_ueg -0.1221977E-02 Ec_ueg -0.2872826E-03 Delta_ex -0.1376235E-02 Delta_ec 0.4365485E-03 Delta_et -0.2940214E-02 Pxc 0.4253573E+01 Qxc -0.3152537E+01 3,+1 150 3 +1 1.360487 1.145296 -2.234544 Rho 0.2481105E-01 |GRAD(Rho)| 0.6673523E-16 GRAD(Rho)x 0.3407499E-16 GRAD(Rho)y 0.7968922E-17 GRAD(Rho)z -0.5682413E-16 Laplacian 0.9246755E-01 (-1/4)Del**2(Rho)) -0.2311689E-01 Diamond 0.1227895E-01 Metallicity 0.1572893E+01 Ellipticity -0.6057660E+01 Gb(Abramov) 0.2147132E-01 Vb(Abramov) -0.1982576E-01 Hb(Abramov) 0.1645566E-02 Ex_ueg -0.5344560E-02 Ec_ueg -0.1079206E-02 Delta_ex -0.5773447E-02 Delta_ec 0.1629996E-02 Delta_et -0.1434714E-01 Pxc 0.4952309E+01 Qxc -0.3542000E+01 3,+1 151 3 -1 1.839183 -2.836957 -0.554967 Rho 0.1438209E+00 |GRAD(Rho)| 0.4041885E-15 GRAD(Rho)x 0.3959777E-15 GRAD(Rho)y -0.4668846E-16 GRAD(Rho)z 0.6625831E-16 Laplacian 0.5889252E+00 (-1/4)Del**2(Rho)) -0.1472313E+00 Diamond 0.1129893E+01 Metallicity 0.4619446E+01 Ellipticity 0.1329728E-01 Gb(Abramov) 0.2115087E+00 Vb(Abramov) -0.2757861E+00 Hb(Abramov) -0.6427741E-01 Ex_ueg -0.5565206E-01 Ec_ueg -0.8049146E-02 Delta_ex -0.6254605E-01 Delta_ec 0.1500885E-01 Delta_et -0.1984075E+00 Pxc 0.6914033E+01 Qxc -0.4167278E+01 3,-1 152 3 +1 1.098214 -2.200417 1.385375 Rho 0.2600978E-01 |GRAD(Rho)| 0.3100060E-16 GRAD(Rho)x 0.7739262E-17 GRAD(Rho)y 0.1450305E-16 GRAD(Rho)z -0.2628312E-16 Laplacian 0.1003955E+00 (-1/4)Del**2(Rho)) -0.2509888E-01 Diamond 0.1349518E-01 Metallicity 0.1567208E+01 Ellipticity -0.3558445E+01 Gb(Abramov) 0.2328845E-01 Vb(Abramov) -0.2147802E-01 Hb(Abramov) 0.1810432E-02 Ex_ueg -0.5691595E-02 Ec_ueg -0.1139688E-02 Delta_ex -0.6272292E-02 Delta_ec 0.1635363E-02 Delta_et -0.1458958E-01 Pxc 0.4993993E+01 Qxc -0.3835413E+01 3,+1 153 3 +1 1.389563 2.223806 -1.110957 Rho 0.2475377E-01 |GRAD(Rho)| 0.2485284E-14 GRAD(Rho)x 0.1897699E-14 GRAD(Rho)y 0.1052679E-14 GRAD(Rho)z 0.1211299E-14 Laplacian 0.9171368E-01 (-1/4)Del**2(Rho)) -0.2292842E-01 Diamond 0.1163138E-01 Metallicity 0.1579725E+01 Ellipticity -0.4262240E+01 Gb(Abramov) 0.2132238E-01 Vb(Abramov) -0.1971634E-01 Hb(Abramov) 0.1606041E-02 Ex_ueg -0.5328115E-02 Ec_ueg -0.1076325E-02 Delta_ex -0.5666872E-02 Delta_ec 0.1516735E-02 Delta_et -0.1336556E-01 Pxc 0.4950285E+01 Qxc -0.3736230E+01 3,+1 154 3 -1 2.033735 0.881951 -3.095809 Rho 0.1245675E+00 |GRAD(Rho)| 0.3022345E-09 GRAD(Rho)x 0.1638678E-09 GRAD(Rho)y -0.2150543E-09 GRAD(Rho)z 0.1350730E-09 Laplacian 0.5007353E+00 (-1/4)Del**2(Rho)) -0.1251838E+00 Diamond 0.8316343E+00 Metallicity 0.4275755E+01 Ellipticity 0.3106142E-02 Gb(Abramov) 0.1726651E+00 Vb(Abramov) -0.2201464E+00 Hb(Abramov) -0.4748129E-01 Ex_ueg -0.4594709E-01 Ec_ueg -0.6835947E-02 Delta_ex -0.5165676E-01 Delta_ec 0.1374261E-01 Delta_et -0.1785621E+00 Pxc 0.6721393E+01 Qxc -0.3758876E+01 3,-1 155 3 -1 1.761819 0.547620 -1.774729 Rho 0.4064090E-01 |GRAD(Rho)| 0.1844887E-15 GRAD(Rho)x 0.9287081E-16 GRAD(Rho)y -0.7090301E-16 GRAD(Rho)z -0.1427721E-15 Laplacian 0.1741215E+00 (-1/4)Del**2(Rho)) -0.4353036E-01 Diamond 0.7156679E-01 Metallicity 0.1901223E+01 Ellipticity 0.1637025E-01 Gb(Abramov) 0.4281373E-01 Vb(Abramov) -0.4209710E-01 Hb(Abramov) 0.7166332E-03 Ex_ueg -0.1031976E-01 Ec_ueg -0.1904475E-02 Delta_ex -0.1389159E-01 Delta_ec 0.5700284E-02 Delta_et -0.5695738E-01 Pxc 0.5418688E+01 Qxc -0.2437001E+01 3,-1 156 3 -1 1.776361 1.754035 -0.557759 Rho 0.4008003E-01 |GRAD(Rho)| 0.2576483E-15 GRAD(Rho)x -0.1773865E-15 GRAD(Rho)y -0.1618968E-15 GRAD(Rho)z -0.9330640E-16 Laplacian 0.1718660E+00 (-1/4)Del**2(Rho)) -0.4296650E-01 Diamond 0.6929690E-01 Metallicity 0.1882074E+01 Ellipticity 0.1716291E-01 Gb(Abramov) 0.4212202E-01 Vb(Abramov) -0.4127754E-01 Hb(Abramov) 0.8444800E-03 Ex_ueg -0.1013030E-01 Ec_ueg -0.1874359E-02 Delta_ex -0.1366417E-01 Delta_ec 0.5624593E-02 Delta_et -0.5598645E-01 Pxc 0.5404676E+01 Qxc -0.2429361E+01 3,-1 157 3 -1 2.030809 -3.038586 0.841460 Rho 0.1376023E+00 |GRAD(Rho)| 0.2875635E-12 GRAD(Rho)x 0.1698397E-12 GRAD(Rho)y 0.1154898E-12 GRAD(Rho)z -0.2012694E-12 Laplacian 0.5361988E+00 (-1/4)Del**2(Rho)) -0.1340497E+00 Diamond 0.9767016E+00 Metallicity 0.4713358E+01 Ellipticity 0.1802550E-01 Gb(Abramov) 0.1946705E+00 Vb(Abramov) -0.2552913E+00 Hb(Abramov) -0.6062080E-01 Ex_ueg -0.5246699E-01 Ec_ueg -0.7654673E-02 Delta_ex -0.5634845E-01 Delta_ec 0.1383692E-01 Delta_et -0.1817664E+00 Pxc 0.6854244E+01 Qxc -0.4072325E+01 3,-1 158 3 +1 2.957816 0.126174 -0.107010 Rho 0.4684703E-02 |GRAD(Rho)| 0.3530542E-17 GRAD(Rho)x -0.1764964E-18 GRAD(Rho)y 0.2120435E-18 GRAD(Rho)z 0.3519746E-17 Laplacian 0.1794197E-01 (-1/4)Del**2(Rho)) -0.4485493E-02 Diamond 0.3710846E-03 Metallicity 0.5037477E+00 Ellipticity -0.3377811E+01 Gb(Abramov) 0.3366922E-02 Vb(Abramov) -0.2248350E-02 Hb(Abramov) 0.1118572E-02 Ex_ueg -0.5789324E-03 Ec_ueg -0.1333696E-03 Delta_ex -0.8685625E-03 Delta_ec 0.5428224E-03 Delta_et -0.2899856E-02 Pxc 0.4340811E+01 Qxc -0.1600086E+01 3,+1 159 3 -1 2.022282 -0.867979 3.071905 Rho 0.1190412E+00 |GRAD(Rho)| 0.2196279E-15 GRAD(Rho)x -0.1825932E-15 GRAD(Rho)y -0.8910787E-16 GRAD(Rho)z -0.8340225E-16 Laplacian 0.4882008E+00 (-1/4)Del**2(Rho)) -0.1220502E+00 Diamond 0.7646212E+00 Metallicity 0.4066090E+01 Ellipticity 0.3156344E-02 Gb(Abramov) 0.1640780E+00 Vb(Abramov) -0.2061058E+00 Hb(Abramov) -0.4202779E-01 Ex_ueg -0.4324955E-01 Ec_ueg -0.6492290E-02 Delta_ex -0.4978203E-01 Delta_ec 0.1346371E-01 Delta_et -0.1734075E+00 Pxc 0.6661679E+01 Qxc -0.3697498E+01 3,-1 160 3 -1 1.854581 -0.577493 -2.867446 Rho 0.1189599E+00 |GRAD(Rho)| 0.3832827E-15 GRAD(Rho)x 0.3122638E-15 GRAD(Rho)y 0.2031524E-15 GRAD(Rho)z 0.9014463E-16 Laplacian 0.5063825E+00 (-1/4)Del**2(Rho)) -0.1265956E+00 Diamond 0.7996729E+00 Metallicity 0.3915632E+01 Ellipticity 0.2494700E-01 Gb(Abramov) 0.1670141E+00 Vb(Abramov) -0.2074325E+00 Hb(Abramov) -0.4041845E-01 Ex_ueg -0.4321014E-01 Ec_ueg -0.6487247E-02 Delta_ex -0.5172574E-01 Delta_ec 0.1414242E-01 Delta_et -0.1824031E+00 Pxc 0.6660783E+01 Qxc -0.3657487E+01 3,-1 161 3 -1 2.825402 0.588011 1.859647 Rho 0.1323477E+00 |GRAD(Rho)| 0.1679927E-13 GRAD(Rho)x 0.4400485E-14 GRAD(Rho)y -0.1610590E-13 GRAD(Rho)z -0.1857699E-14 Laplacian 0.5650808E+00 (-1/4)Del**2(Rho)) -0.1412702E+00 Diamond 0.1005996E+01 Metallicity 0.4191440E+01 Ellipticity 0.1372614E-01 Gb(Abramov) 0.1928677E+00 Vb(Abramov) -0.2444653E+00 Hb(Abramov) -0.5159754E-01 Ex_ueg -0.4981272E-01 Ec_ueg -0.7323280E-02 Delta_ex -0.5910472E-01 Delta_ec 0.1521871E-01 Delta_et -0.1996696E+00 Pxc 0.6801969E+01 Qxc -0.3883688E+01 3,-1 162 3 -1 3.081742 0.882920 -2.045636 Rho 0.1205839E+00 |GRAD(Rho)| 0.2337276E-15 GRAD(Rho)x 0.1180425E-15 GRAD(Rho)y 0.1416375E-15 GRAD(Rho)z 0.1436432E-15 Laplacian 0.4919017E+00 (-1/4)Del**2(Rho)) -0.1229754E+00 Diamond 0.7829913E+00 Metallicity 0.4123036E+01 Ellipticity 0.7236628E-02 Gb(Abramov) 0.1664890E+00 Vb(Abramov) -0.2100025E+00 Hb(Abramov) -0.4351354E-01 Ex_ueg -0.4399847E-01 Ec_ueg -0.6588011E-02 Delta_ex -0.5032001E-01 Delta_ec 0.1353870E-01 Delta_et -0.1747984E+00 Pxc 0.6678566E+01 Qxc -0.3716754E+01 3,-1 163 3 -1 2.817905 -1.847710 -0.564540 Rho 0.1585838E+00 |GRAD(Rho)| 0.5752017E-15 GRAD(Rho)x 0.2125307E-15 GRAD(Rho)y 0.3364008E-15 GRAD(Rho)z -0.4153579E-15 Laplacian 0.6550359E+00 (-1/4)Del**2(Rho)) -0.1637590E+00 Diamond 0.1404985E+01 Metallicity 0.4887792E+01 Ellipticity 0.1127849E-01 Gb(Abramov) 0.2425760E+00 Vb(Abramov) -0.3213930E+00 Hb(Abramov) -0.7881699E-01 Ex_ueg -0.6339624E-01 Ec_ueg -0.8995246E-02 Delta_ex -0.7118584E-01 Delta_ec 0.1615530E-01 Delta_et -0.2160858E+00 Pxc 0.7047749E+01 Qxc -0.4406345E+01 3,-1 164 3 -1 3.042693 -2.039745 0.852787 Rho 0.1432304E+00 |GRAD(Rho)| 0.8495679E-16 GRAD(Rho)x 0.4472334E-18 GRAD(Rho)y 0.6854868E-16 GRAD(Rho)z -0.5018501E-16 Laplacian 0.5585627E+00 (-1/4)Del**2(Rho)) -0.1396407E+00 Diamond 0.1067426E+01 Metallicity 0.4837267E+01 Ellipticity 0.2700952E-01 Gb(Abramov) 0.2056736E+00 Vb(Abramov) -0.2717066E+00 Hb(Abramov) -0.6603297E-01 Ex_ueg -0.5534760E-01 Ec_ueg -0.8011582E-02 Delta_ex -0.5927308E-01 Delta_ec 0.1426969E-01 Delta_et -0.1885675E+00 Pxc 0.6908448E+01 Qxc -0.4153774E+01 3,-1 165 3 -1 2.825781 -0.580983 -1.838975 Rho 0.1044720E+00 |GRAD(Rho)| 0.1311216E-09 GRAD(Rho)x 0.2649341E-10 GRAD(Rho)y -0.8622042E-10 GRAD(Rho)z 0.9516839E-10 Laplacian 0.4511388E+00 (-1/4)Del**2(Rho)) -0.1127847E+00 Diamond 0.6135184E+00 Metallicity 0.3539727E+01 Ellipticity 0.2247240E-01 Gb(Abramov) 0.1417276E+00 Vb(Abramov) -0.1706706E+00 Hb(Abramov) -0.2894295E-01 Ex_ueg -0.3634002E-01 Ec_ueg -0.5596740E-02 Delta_ex -0.4477165E-01 Delta_ec 0.1309305E-01 Delta_et -0.1648765E+00 Pxc 0.6493070E+01 Qxc -0.3419497E+01 3,-1 166 3 -1 3.052272 -0.894787 2.015814 Rho 0.1187492E+00 |GRAD(Rho)| 0.2816415E-15 GRAD(Rho)x -0.4335453E-16 GRAD(Rho)y -0.2342419E-15 GRAD(Rho)z -0.1502433E-15 Laplacian 0.4821320E+00 (-1/4)Del**2(Rho)) -0.1205330E+00 Diamond 0.7606716E+00 Metallicity 0.4100451E+01 Ellipticity 0.1853869E-01 Gb(Abramov) 0.1627286E+00 Vb(Abramov) -0.2049242E+00 Hb(Abramov) -0.4219562E-01 Ex_ueg -0.4310814E-01 Ec_ueg -0.6474189E-02 Delta_ex -0.4924047E-01 Delta_ec 0.1349286E-01 Delta_et -0.1740034E+00 Pxc 0.6658462E+01 Qxc -0.3649374E+01 3,-1 167 3 -1 3.288476 3.275813 0.060044 Rho 0.2070699E+00 |GRAD(Rho)| 0.2727341E-14 GRAD(Rho)x -0.5947933E-15 GRAD(Rho)y 0.1745349E-14 GRAD(Rho)z 0.2009569E-14 Laplacian 0.7776274E+00 (-1/4)Del**2(Rho)) -0.1944069E+00 Diamond 0.2305345E+01 Metallicity 0.6422485E+01 Ellipticity 0.3336818E-02 Gb(Abramov) 0.3377004E+00 Vb(Abramov) -0.4809940E+00 Hb(Abramov) -0.1432936E+00 Ex_ueg -0.9047757E-01 Ec_ueg -0.1219253E-01 Delta_ex -0.9044631E-01 Delta_ec 0.1794988E-01 Delta_et -0.2468044E+00 Pxc 0.7420740E+01 Qxc -0.5038827E+01 3,-1 168 3 -1 3.288763 -0.063258 -3.279231 Rho 0.2079629E+00 |GRAD(Rho)| 0.1681990E-15 GRAD(Rho)x -0.1219727E-16 GRAD(Rho)y -0.7085261E-16 GRAD(Rho)z -0.1520594E-15 Laplacian 0.7805888E+00 (-1/4)Del**2(Rho)) -0.1951472E+00 Diamond 0.2326469E+01 Metallicity 0.6444173E+01 Ellipticity 0.2787791E-02 Gb(Abramov) 0.3396918E+00 Vb(Abramov) -0.4842365E+00 Hb(Abramov) -0.1445447E+00 Ex_ueg -0.9099820E-01 Ec_ueg -0.1225266E-01 Delta_ex -0.9089329E-01 Delta_ec 0.1800061E-01 Delta_et -0.2475921E+00 Pxc 0.7426811E+01 Qxc -0.5049456E+01 3,-1 169 3 -1 3.281493 0.051552 3.262869 Rho 0.2085043E+00 |GRAD(Rho)| 0.2752549E-12 GRAD(Rho)x -0.1922204E-12 GRAD(Rho)y -0.4832295E-13 GRAD(Rho)z -0.1910013E-12 Laplacian 0.7832821E+00 (-1/4)Del**2(Rho)) -0.1958205E+00 Diamond 0.2340422E+01 Metallicity 0.6449906E+01 Ellipticity 0.6395680E-02 Gb(Abramov) 0.3410510E+00 Vb(Abramov) -0.4862815E+00 Hb(Abramov) -0.1452305E+00 Ex_ueg -0.9131423E-01 Ec_ueg -0.1228914E-01 Delta_ex -0.9125894E-01 Delta_ec 0.1803378E-01 Delta_et -0.2480354E+00 Pxc 0.7430480E+01 Qxc -0.5060445E+01 3,-1 170 3 -1 3.248735 -3.239222 -0.079446 Rho 0.2314471E+00 |GRAD(Rho)| 0.4782287E-12 GRAD(Rho)x -0.3309587E-12 GRAD(Rho)y 0.3329475E-12 GRAD(Rho)z 0.9118642E-13 Laplacian 0.8470900E+00 (-1/4)Del**2(Rho)) -0.2117725E+00 Diamond 0.2869269E+01 Metallicity 0.7097466E+01 Ellipticity 0.2065484E-02 Gb(Abramov) 0.3916897E+00 Vb(Abramov) -0.5716069E+00 Hb(Abramov) -0.1799172E+00 Ex_ueg -0.1049512E+00 Ec_ueg -0.1384988E-01 Delta_ex -0.1013899E+00 Delta_ec 0.1892728E-01 Delta_et -0.2618639E+00 Pxc 0.7577770E+01 Qxc -0.5356814E+01 3,-1 171 3 -1 -3.015287 -1.992030 -0.838248 Rho 0.1359899E+00 |GRAD(Rho)| 0.1010978E-11 GRAD(Rho)x 0.3783585E-12 GRAD(Rho)y -0.6224290E-12 GRAD(Rho)z 0.7010726E-12 Laplacian 0.5342446E+00 (-1/4)Del**2(Rho)) -0.1335611E+00 Diamond 0.9616300E+00 Metallicity 0.4638571E+01 Ellipticity 0.3461479E-01 Gb(Abramov) 0.1922962E+00 Vb(Abramov) -0.2510313E+00 Hb(Abramov) -0.5873509E-01 Ex_ueg -0.5164885E-01 Ec_ueg -0.7552791E-02 Delta_ex -0.5600715E-01 Delta_ec 0.1386998E-01 Delta_et -0.1819596E+00 Pxc 0.6838379E+01 Qxc -0.4038013E+01 3,-1 172 3 -1 -3.232245 3.200984 -0.066626 Rho 0.2330131E+00 |GRAD(Rho)| 0.2543026E-15 GRAD(Rho)x -0.1761286E-15 GRAD(Rho)y 0.1745565E-15 GRAD(Rho)z 0.5637851E-16 Laplacian 0.8551928E+00 (-1/4)Del**2(Rho)) -0.2137982E+00 Diamond 0.2917814E+01 Metallicity 0.7109674E+01 Ellipticity 0.2736340E-02 Gb(Abramov) 0.3958714E+00 Vb(Abramov) -0.5779446E+00 Hb(Abramov) -0.1820732E+00 Ex_ueg -0.1058991E+00 Ec_ueg -0.1395747E-01 Delta_ex -0.1025256E+00 Delta_ec 0.1904605E-01 Delta_et -0.2634786E+00 Pxc 0.7587271E+01 Qxc -0.5383041E+01 3,-1 173 3 -1 -2.044571 -3.036908 -0.847802 Rho 0.1635525E+00 |GRAD(Rho)| 0.4719747E-14 GRAD(Rho)x -0.2192284E-14 GRAD(Rho)y -0.4163987E-14 GRAD(Rho)z 0.3620964E-15 Laplacian 0.6330240E+00 (-1/4)Del**2(Rho)) -0.1582560E+00 Diamond 0.1421294E+01 Metallicity 0.5324619E+01 Ellipticity 0.3481565E-01 Gb(Abramov) 0.2459461E+00 Vb(Abramov) -0.3336363E+00 Hb(Abramov) -0.8769014E-01 Ex_ueg -0.6605841E-01 Ec_ueg -0.9316643E-02 Delta_ex -0.6943275E-01 Delta_ec 0.1568429E-01 Delta_et -0.2110957E+00 Pxc 0.7090367E+01 Qxc -0.4426897E+01 3,-1 174 3 -1 -1.847991 -2.804825 0.563749 Rho 0.1623692E+00 |GRAD(Rho)| 0.2274317E-15 GRAD(Rho)x 0.2002521E-15 GRAD(Rho)y 0.7367831E-16 GRAD(Rho)z 0.7871308E-16 Laplacian 0.6671078E+00 (-1/4)Del**2(Rho)) -0.1667769E+00 Diamond 0.1476668E+01 Metallicity 0.4991795E+01 Ellipticity 0.1182815E-01 Gb(Abramov) 0.2499373E+00 Vb(Abramov) -0.3330978E+00 Hb(Abramov) -0.8316041E-01 Ex_ueg -0.6542194E-01 Ec_ueg -0.9239969E-02 Delta_ex -0.7296622E-01 Delta_ec 0.1642903E-01 Delta_et -0.2205829E+00 Pxc 0.7080320E+01 Qxc -0.4441297E+01 3,-1 175 3 -1 -1.841428 2.800613 -0.567342 Rho 0.1660004E+00 |GRAD(Rho)| 0.4550976E-15 GRAD(Rho)x -0.5664956E-17 GRAD(Rho)y -0.2092307E-15 GRAD(Rho)z 0.4041093E-15 Laplacian 0.6873281E+00 (-1/4)Del**2(Rho)) -0.1718320E+00 Diamond 0.1556562E+01 Metallicity 0.5026871E+01 Ellipticity 0.1458454E-01 Gb(Abramov) 0.2585176E+00 Vb(Abramov) -0.3452032E+00 Hb(Abramov) -0.8668558E-01 Ex_ueg -0.6737996E-01 Ec_ueg -0.9475520E-02 Delta_ex -0.7554276E-01 Delta_ec 0.1674083E-01 Delta_et -0.2251242E+00 Pxc 0.7110950E+01 Qxc -0.4512486E+01 3,-1 176 3 -1 -2.022461 2.996155 0.858006 Rho 0.1463850E+00 |GRAD(Rho)| 0.2351078E-15 GRAD(Rho)x -0.2012686E-15 GRAD(Rho)y 0.7654467E-16 GRAD(Rho)z 0.9437980E-16 Laplacian 0.5710746E+00 (-1/4)Del**2(Rho)) -0.1427687E+00 Diamond 0.1124087E+01 Metallicity 0.4906232E+01 Ellipticity 0.4561376E-01 Gb(Abramov) 0.2119218E+00 Vb(Abramov) -0.2810749E+00 Hb(Abramov) -0.6915315E-01 Ex_ueg -0.5697889E-01 Ec_ueg -0.8212507E-02 Delta_ex -0.6096424E-01 Delta_ec 0.1458131E-01 Delta_et -0.1934476E+00 Pxc 0.6938062E+01 Qxc -0.4180986E+01 3,-1 177 3 -1 0.894059 -3.046084 2.008211 Rho 0.1238314E+00 |GRAD(Rho)| 0.2561675E-15 GRAD(Rho)x 0.2405031E-15 GRAD(Rho)y -0.8643802E-16 GRAD(Rho)z -0.1756408E-16 Laplacian 0.5032668E+00 (-1/4)Del**2(Rho)) -0.1258167E+00 Diamond 0.8315895E+00 Metallicity 0.4212431E+01 Ellipticity 0.2478532E-01 Gb(Abramov) 0.1722102E+00 Vb(Abramov) -0.2186036E+00 Hb(Abramov) -0.4639346E-01 Ex_ueg -0.4558543E-01 Ec_ueg -0.6790051E-02 Delta_ex -0.5186647E-01 Delta_ec 0.1386980E-01 Delta_et -0.1800918E+00 Pxc 0.6713562E+01 Qxc -0.3739525E+01 3,-1 178 3 -1 2.838420 1.857020 0.580421 Rho 0.1273376E+00 |GRAD(Rho)| 0.1121599E-13 GRAD(Rho)x -0.1529470E-14 GRAD(Rho)y 0.8214986E-14 GRAD(Rho)z -0.7481524E-14 Laplacian 0.5405943E+00 (-1/4)Del**2(Rho)) -0.1351486E+00 Diamond 0.9238852E+00 Metallicity 0.4108371E+01 Ellipticity 0.2175038E-01 Gb(Abramov) 0.1826391E+00 Vb(Abramov) -0.2301297E+00 Hb(Abramov) -0.4749056E-01 Ex_ueg -0.4731448E-01 Ec_ueg -0.7008998E-02 Delta_ex -0.5608647E-01 Delta_ec 0.1480490E-01 Delta_et -0.1931788E+00 Pxc 0.6750535E+01 Qxc -0.3788373E+01 3,-1 179 3 -1 2.036178 3.078603 -0.874187 Rho 0.1179143E+00 |GRAD(Rho)| 0.3621090E-15 GRAD(Rho)x 0.2855382E-15 GRAD(Rho)y -0.1708635E-15 GRAD(Rho)z 0.1428165E-15 Laplacian 0.4812064E+00 (-1/4)Del**2(Rho)) -0.1203016E+00 Diamond 0.7460228E+00 Metallicity 0.4060310E+01 Ellipticity 0.2869421E-02 Gb(Abramov) 0.1616114E+00 Vb(Abramov) -0.2029211E+00 Hb(Abramov) -0.4130976E-01 Ex_ueg -0.4270450E-01 Ec_ueg -0.6422470E-02 Delta_ex -0.4897127E-01 Delta_ec 0.1332263E-01 Delta_et -0.1713304E+00 Pxc 0.6649232E+01 Qxc -0.3675797E+01 3,-1 180 3 -1 3.097879 2.032257 -0.888050 Rho 0.1348248E+00 |GRAD(Rho)| 0.3253686E-12 GRAD(Rho)x -0.1138873E-12 GRAD(Rho)y 0.2086845E-12 GRAD(Rho)z 0.2221378E-12 Laplacian 0.5377283E+00 (-1/4)Del**2(Rho)) -0.1344321E+00 Diamond 0.9812618E+00 Metallicity 0.4542900E+01 Ellipticity 0.1119158E-01 Gb(Abramov) 0.1914066E+00 Vb(Abramov) -0.2483812E+00 Hb(Abramov) -0.5697456E-01 Ex_ueg -0.5105968E-01 Ec_ueg -0.7479278E-02 Delta_ex -0.5652261E-01 Delta_ec 0.1446750E-01 Delta_et -0.1904868E+00 Pxc 0.6826819E+01 Qxc -0.3906867E+01 3,-1 181 3 -1 -3.250559 -3.206669 0.075996 Rho 0.2325854E+00 |GRAD(Rho)| 0.5917049E-15 GRAD(Rho)x -0.4308619E-15 GRAD(Rho)y -0.3695503E-15 GRAD(Rho)z 0.1670484E-15 Laplacian 0.8528185E+00 (-1/4)Del**2(Rho)) -0.2132046E+00 Diamond 0.2903411E+01 Metallicity 0.7107669E+01 Ellipticity 0.1955385E-02 Gb(Abramov) 0.3947011E+00 Vb(Abramov) -0.5761975E+00 Hb(Abramov) -0.1814964E+00 Ex_ueg -0.1056400E+00 Ec_ueg -0.1392807E-01 Delta_ex -0.1021928E+00 Delta_ec 0.1900459E-01 Delta_et -0.2628901E+00 Pxc 0.7584682E+01 Qxc -0.5377268E+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 78 136 110 116 141 177 117 121 142 137 104 115 134 138 122 125 128 145 127 123 139 143 124 93 126 148 163 151 164 157 170 156 178 147 180 179 167 56 73 175 75 176 172 129 76 174 171 173 181 95 69 98 78 92 66 58 67 96 70 120 65 133 161 144 166 159 169 155 165 160 162 154 168 131 130 132 114 64 119 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 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 28 2.429181 2.044874 2.049852 1.956634 1.995174 1.796314 2.428753 1.934799 1.989512 2.057252 2.082845 1.796593 2.421028 2.070557 2.065138 1.970678 1.955218 1.798049 2.398332 1.875388 1.861191 2.008945 2.012570 1.755914 2.420541 1.894486 1.933565 1.944027 1.960658 1.757286 2.447723 1.976544 2.101203 1.963607 2.015602 1.800156 2.413615 1.936242 1.876391 1.974116 1.935124 1.754557 2.417736 1.982445 1.885557 1.964318 1.892051 1.755316 2.400993 1.971663 1.876209 1.978590 1.906410 1.755214 2.418111 1.926291 1.887488 1.965018 1.939188 1.754285 2.442428 1.961186 2.067921 2.011154 2.011886 1.797489 2.442385 2.050411 2.002816 2.006495 1.994256 1.798544 1.701597 1.709876 1.697500 1.714924 3.205246 3.323956 2.431299 2.045084 2.050056 1.956923 1.995525 1.796324 2.430669 1.934995 1.989802 2.057545 2.083152 1.796600 2.423373 2.070758 2.065342 1.970990 1.955513 1.798060 2.400088 1.875682 1.861477 2.009528 2.013148 1.755927 2.422049 1.894803 1.933893 1.944550 1.961189 1.757294 2.449122 1.976721 2.101413 1.963880 2.015939 1.800164 2.415137 1.936687 1.876690 1.974669 1.935675 1.754565 2.419344 1.982843 1.885872 1.964892 1.892451 1.755328 2.402828 1.972071 1.876510 1.979158 1.906865 1.755226 2.419684 1.926741 1.887803 1.965573 1.939740 1.754294 2.444380 1.961379 2.068114 2.011501 2.012215 1.797493 2.444272 2.050604 2.002988 2.006826 1.994560 1.798550 1.701600 1.709882 1.697502 1.714926 3.208221 3.332431 27 29 25 27 24 24 28 26 26 27 27 23 27 30 28 25 26 23 31 26 24 27 27 27 27 25 25 26 24 22 27 24 26 24 24 25 31 28 23 27 25 23 27 27 25 24 24 22 30 27 26 27 27 23 31 28 27 27 28 25 27 26 26 24 25 24 27 25 24 27 24 22 24 22 23 22 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 Ta Ta Ta W W Ta W W W W Ta Ta 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 2.2058 2.2061 2.1922 2.4326 2.4186 2.1833 2.4383 2.4357 2.4362 2.4388 2.1955 2.1851 -1.1128 -1.1213 -1.1083 -1.1223 -0.9717 -0.9812 -0.9720 -1.0203 -1.0164 -0.9726 -0.9721 -0.9763 -0.9709 -0.9777 -0.9629 -0.9942 -1.0166 -0.9975 -1.0446 -0.9969 -1.0393 -1.0418 -0.9969 -1.0022 -0.9975 -0.9959 -1.0186 -1.0421 -0.9498 -0.9507 -0.9542 -0.8532 -0.8610 -0.9622 -0.8489 -0.8523 -0.8508 -0.8483 -0.9546 -0.9586 2.5194 2.1098 2.1078 2.1158 2.1030 2.1131 2.1199 2.0975 2.1025 2.1030 2.0981 2.1135 2.1202 1.9379 1.9360 1.9387 1.9354 1.9289 1.9283 1.9288 1.9222 1.9232 1.9306 1.9305 1.9293 1.9304 1.9295 1.9325 1.9263 1.9336 1.9365 1.9286 1.9366 1.9293 1.9288 1.9371 1.9365 1.9375 1.9372 1.9330 1.9289 1.9399 1.9402 1.9393 1.9570 1.9558 1.9385 1.9567 1.9566 1.9568 1.9569 1.9395 1.9390 0.8330 6.0782 6.0792 6.0812 6.0984 6.1059 6.0860 6.0964 6.0966 6.0968 6.0964 6.0842 6.0879 5.1380 5.1479 5.1333 5.1490 5.0142 5.0263 5.0146 5.0742 5.0688 5.0143 5.0142 5.0196 5.0129 5.0209 5.0024 5.0413 5.0555 5.0320 5.0907 5.0310 5.0845 5.0874 5.0306 5.0374 5.0316 5.0292 5.0584 5.0878 4.9838 4.9845 4.9891 4.8638 4.8730 4.9981 4.8594 4.8631 4.8615 4.8587 4.9891 4.9939 1.1082 2.5720 2.5726 2.5767 3.3365 3.3330 2.5767 3.3383 3.3356 3.3344 3.3370 2.5726 2.5726 0.0369 0.0373 0.0362 0.0379 0.0286 0.0267 0.0286 0.0239 0.0244 0.0278 0.0274 0.0274 0.0276 0.0273 0.0280 0.0266 0.0276 0.0290 0.0253 0.0293 0.0255 0.0256 0.0292 0.0284 0.0284 0.0294 0.0272 0.0254 0.0261 0.0261 0.0258 0.0325 0.0322 0.0256 0.0327 0.0326 0.0326 0.0328 0.0259 0.0257 10.5393 14.0342 14.0342 14.0341 14.0294 14.0295 14.0341 14.0296 14.0296 14.0296 14.0296 14.0342 14.0342 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 Ta Ta Ta W W Ta W W W W Ta Ta 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 2.361472 2.357931 2.357991 2.492190 2.495943 2.354462 2.498332 2.498081 2.498499 2.499444 2.358852 2.359003 -1.097112 -1.095732 -1.098581 -1.093295 -0.992116 -1.014785 -0.992308 -1.055872 -1.051454 -1.001224 -1.000611 -1.002805 -0.998733 -1.003999 -0.995344 -1.021802 -1.022316 -0.993863 -1.062692 -0.992453 -1.054664 -1.058336 -0.991163 -1.004987 -1.002711 -0.990116 -1.024816 -1.059560 -1.037706 -1.038242 -1.044165 -0.901245 -0.912147 -1.054861 -0.896785 -0.900948 -0.899315 -0.896209 -1.044379 -1.050184 2.317437 1.843645 1.838975 1.844827 1.928510 1.928451 1.838008 1.924008 1.928033 1.928113 1.924643 1.839811 1.842138 -0.719949 -0.718222 -0.721973 -0.713251 -0.742962 -0.774725 -0.740540 -0.799526 -0.812612 -0.777364 -0.769136 -0.772319 -0.767801 -0.769413 -0.771136 -0.776594 -0.863034 -0.824802 -0.906699 -0.825378 -0.898947 -0.901287 -0.827392 -0.853178 -0.852827 -0.826788 -0.862338 -0.902413 -0.979799 -0.979101 -0.987357 -0.818621 -0.835523 -1.001921 -0.815713 -0.819644 -0.818173 -0.815395 -0.989132 -0.997087 1.740911 1.963212 1.957643 1.964560 2.039557 2.047061 1.961412 2.035962 2.039774 2.040793 2.037602 1.962779 1.967525 -0.799986 -0.795212 -0.801512 -0.792901 -0.825442 -0.855427 -0.823059 -0.897317 -0.900133 -0.848500 -0.847526 -0.851158 -0.844890 -0.850815 -0.840864 -0.859532 -0.900085 -0.862223 -0.948262 -0.862479 -0.934760 -0.941096 -0.862421 -0.882172 -0.878287 -0.861709 -0.900153 -0.939348 -0.953549 -0.953615 -0.960321 -0.781666 -0.797495 -0.974897 -0.780205 -0.785154 -0.782646 -0.779491 -0.962291 -0.968602 1.669320 -13.09790029 -0.49609570 3.96635673 13.69427212 10.25827908 -15.96093800 2.11095571 0.76343790 15.58087647 -11.02171698 -384.6492 431.6482 0.2952 -438.7664 -95.0472 -486.5195 Jun20-2024 20:41:55 Nodes: 1 Procs: 1 Jun20-2024 20:42:00 Nodes: 1 Procs: 1 0 Jun20-2024 20:42:07 Nodes: 1 Procs: 1 Jun20-2024 20:42:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:42:15 Nodes: 1 Procs: 1 Jun20-2024 20:42:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:42:21 Nodes: 1 Procs: 1 Jun20-2024 20:42:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 20:42:32 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -17.66293357 -17.84920185 -17.86445381 -17.87294135 -17.87521453 -17.87711532 -17.87796190 -17.87860417 -17.87897786 -17.87913023 -17.87919880 -17.87922734 -17.87924641 -17.87926124 GEOMETRY CONVERGED