ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.91 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 1.85 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 2.37 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.31 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:50 Hydrogen (TZP) c3-27 c3-27 c3-27 c3-27 c3-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.18 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:15 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2009.7611999999974 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3 -3 3.048058 1.220431 1.364092 Rho 0.3189489E+03 3,-3 20 3 -3 -3.104001 1.323746 -1.414366 Rho 0.3191751E+03 3,-3 21 3 -3 1.300316 -1.177546 2.913034 Rho 0.3188801E+03 3,-3 22 3 -3 -1.616182 3.022247 0.000028 Rho 0.3188403E+03 3,-3 23 3 -3 0.273035 -3.439254 1.758073 Rho 0.3192414E+03 3,-3 24 3 -3 1.601541 3.001730 0.040848 Rho 0.3189272E+03 3,-3 25 3 -3 0.222217 -3.492257 -1.704344 Rho 0.3192405E+03 3,-3 26 3 -3 3.556672 -1.402848 -1.379853 Rho 0.3191048E+03 3,-3 27 3 -3 0.176093 -0.098721 -5.293031 Rho 0.3191805E+03 3,-3 28 3 -3 1.427547 1.510669 -3.394655 Rho 0.3190895E+03 3,-3 29 3 -3 -1.411977 1.573424 3.488215 Rho 0.3189742E+03 3,-3 30 3 -3 3.542733 -1.367960 1.328711 Rho 0.3190719E+03 3,-3 31 3 -3 -1.295513 1.601345 -3.526975 Rho 0.3188990E+03 3,-3 32 3 -3 1.311386 1.560765 3.433008 Rho 0.3189957E+03 3,-3 33 3 -3 0.082003 -0.133939 5.313515 Rho 0.3193100E+03 3,-3 34 3 -3 0.009095 3.426662 2.098885 Rho 0.3189373E+03 3,-3 35 3 -3 2.390840 -3.408948 0.002289 Rho 0.3188962E+03 3,-3 36 3 -3 0.053673 3.408807 -2.076611 Rho 0.3190342E+03 3,-3 37 3 -3 2.812589 -3.615759 2.822461 Rho 0.3191864E+03 3,-3 38 3 -3 5.429870 0.256981 -0.049965 Rho 0.3193096E+03 3,-3 39 3 -3 -2.712207 3.850629 -2.527885 Rho 0.3191920E+03 3,-3 40 3 -3 2.823802 3.784161 2.512967 Rho 0.3191984E+03 3,-3 41 3 -3 1.733017 2.571335 -1.905323 Rho 0.1240651E+06 3,-3 42 3 -3 -0.104571 -0.016149 3.564182 Rho 0.1240648E+06 3,-3 43 3 -3 3.718041 -0.138777 -0.055330 Rho 0.1240651E+06 3,-3 44 3 -3 -0.316343 -0.272167 0.003672 Rho 0.4276109E+05 3,-3 45 3 -3 -3.084685 1.159064 0.348909 Rho 0.4403421E+00 3,-3 46 3 +1 -1.874718 0.428707 0.701789 Rho 0.7203875E-02 |GRAD(Rho)| 0.1009329E-11 GRAD(Rho)x -0.8070320E-12 GRAD(Rho)y 0.4749049E-12 GRAD(Rho)z 0.3767085E-12 Laplacian 0.2612938E-01 (-1/4)Del**2(Rho)) -0.6532344E-02 Diamond 0.7187838E-03 Metallicity 0.7086434E+00 Ellipticity -0.2062674E+01 Gb(Abramov) 0.5126413E-02 Vb(Abramov) -0.3720482E-02 Hb(Abramov) 0.1405931E-02 Ex_ueg -0.1027559E-02 Ec_ueg -0.2429535E-03 Delta_ex -0.1238397E-02 Delta_ec 0.5402133E-03 Delta_et -0.3380060E-02 Pxc 0.4229445E+01 Qxc -0.2292422E+01 3,+1 47 3 +1 -2.538803 1.874719 -0.063524 Rho 0.1444719E-01 |GRAD(Rho)| 0.2396935E-16 GRAD(Rho)x -0.1111986E-16 GRAD(Rho)y -0.1510474E-16 GRAD(Rho)z -0.1492398E-16 Laplacian 0.6621340E-01 (-1/4)Del**2(Rho)) -0.1655335E-01 Diamond 0.3455170E-02 Metallicity 0.8918800E+00 Ellipticity -0.1432612E+01 Gb(Abramov) 0.1349617E-01 Vb(Abramov) -0.1043898E-01 Hb(Abramov) 0.3057183E-02 Ex_ueg -0.2598741E-02 Ec_ueg -0.5736866E-03 Delta_ex -0.3426334E-02 Delta_ec 0.8722368E-03 Delta_et -0.6832368E-02 Pxc 0.4529897E+01 Qxc -0.3928215E+01 3,+1 48 3 -1 -3.082649 1.238143 -0.246447 Rho 0.3833159E-01 |GRAD(Rho)| 0.7489334E-16 GRAD(Rho)x -0.1641868E-17 GRAD(Rho)y 0.1639861E-16 GRAD(Rho)z 0.7305753E-16 Laplacian 0.1127143E+00 (-1/4)Del**2(Rho)) -0.2817859E-01 Diamond 0.5894615E-01 Metallicity 0.2664171E+01 Ellipticity 0.1312986E-01 Gb(Abramov) 0.3129782E-01 Vb(Abramov) -0.3441705E-01 Hb(Abramov) -0.3119232E-02 Ex_ueg -0.9545401E-02 Ec_ueg -0.1780847E-02 Delta_ex -0.9858317E-02 Delta_ec 0.5463153E-02 Delta_et -0.5385484E-01 Pxc 0.5360036E+01 Qxc -0.1804510E+01 3,-1 49 3 +1 1.596543 0.377092 0.819691 Rho 0.4914591E-02 |GRAD(Rho)| 0.1121608E-16 GRAD(Rho)x -0.5455784E-17 GRAD(Rho)y -0.8501358E-17 GRAD(Rho)z -0.4874615E-17 Laplacian 0.1842177E-01 (-1/4)Del**2(Rho)) -0.4605443E-02 Diamond 0.2520971E-03 Metallicity 0.5314070E+00 Ellipticity -0.1368782E+01 Gb(Abramov) 0.3478190E-02 Vb(Abramov) -0.2350936E-02 Hb(Abramov) 0.1127254E-02 Ex_ueg -0.6171179E-03 Ec_ueg -0.1432391E-03 Delta_ex -0.7535713E-03 Delta_ec 0.2956620E-03 Delta_et -0.1712612E-02 Pxc 0.4308306E+01 Qxc -0.2548760E+01 3,+1 50 3 +1 -2.084050 0.302642 -0.676119 Rho 0.6497896E-02 |GRAD(Rho)| 0.7963029E-17 GRAD(Rho)x 0.4816917E-17 GRAD(Rho)y -0.6128029E-17 GRAD(Rho)z 0.1629232E-17 Laplacian 0.2300104E-01 (-1/4)Del**2(Rho)) -0.5750261E-02 Diamond 0.6617433E-03 Metallicity 0.6778811E+00 Ellipticity -0.6145764E+01 Gb(Abramov) 0.4483173E-02 Vb(Abramov) -0.3216085E-02 Hb(Abramov) 0.1267088E-02 Ex_ueg -0.8955340E-03 Ec_ueg -0.2119322E-03 Delta_ex -0.1137716E-02 Delta_ec 0.6057702E-03 Delta_et -0.3604522E-02 Pxc 0.4225569E+01 Qxc -0.1878131E+01 3,+1 51 3 -1 -0.821649 2.957317 -1.965009 Rho 0.9815286E-01 |GRAD(Rho)| 0.2863222E-15 GRAD(Rho)x -0.2609133E-15 GRAD(Rho)y -0.1145019E-15 GRAD(Rho)z 0.2817825E-16 Laplacian 0.3953341E+00 (-1/4)Del**2(Rho)) -0.9883352E-01 Diamond 0.4784496E+00 Metallicity 0.3640440E+01 Ellipticity 0.1250384E-01 Gb(Abramov) 0.1258553E+00 Vb(Abramov) -0.1528770E+00 Hb(Abramov) -0.2702174E-01 Ex_ueg -0.3343918E-01 Ec_ueg -0.5213295E-02 Delta_ex -0.3831936E-01 Delta_ec 0.1099718E-01 Delta_et -0.1360144E+00 Pxc 0.6414213E+01 Qxc -0.3484472E+01 3,-1 52 3 +1 2.472822 -1.036088 -0.467686 Rho 0.1971056E-01 |GRAD(Rho)| 0.6707507E-16 GRAD(Rho)x 0.6255883E-16 GRAD(Rho)y 0.2418094E-16 GRAD(Rho)z 0.8600865E-18 Laplacian 0.7292387E-01 (-1/4)Del**2(Rho)) -0.1823097E-01 Diamond 0.6800160E-02 Metallicity 0.1359070E+01 Ellipticity -0.3165377E+01 Gb(Abramov) 0.1628350E-01 Vb(Abramov) -0.1433604E-01 Hb(Abramov) 0.1947462E-02 Ex_ueg -0.3932334E-02 Ec_ueg -0.8262765E-03 Delta_ex -0.4246992E-02 Delta_ec 0.1216706E-02 Delta_et -0.1013110E-01 Pxc 0.4759102E+01 Qxc -0.3490565E+01 3,+1 53 3 -1 -2.158993 0.259906 -0.654882 Rho 0.6500676E-02 |GRAD(Rho)| 0.5709980E-16 GRAD(Rho)x 0.5633739E-16 GRAD(Rho)y 0.7778775E-17 GRAD(Rho)z -0.5096612E-17 Laplacian 0.2292676E-01 (-1/4)Del**2(Rho)) -0.5731690E-02 Diamond 0.7163513E-03 Metallicity 0.6805624E+00 Ellipticity 0.4368038E+01 Gb(Abramov) 0.4471256E-02 Vb(Abramov) -0.3210821E-02 Hb(Abramov) 0.1260435E-02 Ex_ueg -0.8960448E-03 Ec_ueg -0.2120538E-03 Delta_ex -0.1171028E-02 Delta_ec 0.6696661E-03 Delta_et -0.3954604E-02 Pxc 0.4225553E+01 Qxc -0.1748675E+01 3,-1 54 3 -1 -2.256915 0.188841 0.563035 Rho 0.7639795E-02 |GRAD(Rho)| 0.5683005E-17 GRAD(Rho)x -0.1168107E-17 GRAD(Rho)y 0.4166394E-17 GRAD(Rho)z -0.3684186E-17 Laplacian 0.2789950E-01 (-1/4)Del**2(Rho)) -0.6974875E-02 Diamond 0.1215851E-02 Metallicity 0.7319582E+00 Ellipticity 0.2497736E+00 Gb(Abramov) 0.5500803E-02 Vb(Abramov) -0.4026731E-02 Hb(Abramov) 0.1474072E-02 Ex_ueg -0.1111290E-02 Ec_ueg -0.2622249E-03 Delta_ex -0.1543359E-02 Delta_ec 0.9393417E-03 Delta_et -0.5767984E-02 Pxc 0.4237927E+01 Qxc -0.1643022E+01 3,-1 55 3 +1 -2.361002 0.346658 -0.192905 Rho 0.5970477E-02 |GRAD(Rho)| 0.1044230E-15 GRAD(Rho)x 0.9038428E-16 GRAD(Rho)y 0.1456623E-16 GRAD(Rho)z -0.5022627E-16 Laplacian 0.2092076E-01 (-1/4)Del**2(Rho)) -0.5230189E-02 Diamond 0.4020086E-03 Metallicity 0.6472184E+00 Ellipticity -0.1637658E+01 Gb(Abramov) 0.4050972E-02 Vb(Abramov) -0.2871754E-02 Hb(Abramov) 0.1179217E-02 Ex_ueg -0.7999517E-03 Ec_ueg -0.1889125E-03 Delta_ex -0.9175665E-03 Delta_ec 0.3743605E-03 Delta_et -0.2256392E-02 Pxc 0.4234509E+01 Qxc -0.2451024E+01 3,+1 56 3 +1 0.037280 2.036892 -2.869893 Rho 0.1164178E-01 |GRAD(Rho)| 0.1421504E-15 GRAD(Rho)x -0.1059102E-15 GRAD(Rho)y 0.5708592E-16 GRAD(Rho)z 0.7570312E-16 Laplacian 0.5412737E-01 (-1/4)Del**2(Rho)) -0.1353184E-01 Diamond 0.1763857E-02 Metallicity 0.7613111E+00 Ellipticity -0.1174075E+01 Gb(Abramov) 0.1073822E-01 Vb(Abramov) -0.7944595E-02 Hb(Abramov) 0.2793624E-02 Ex_ueg -0.1948698E-02 Ec_ueg -0.4430579E-03 Delta_ex -0.2544129E-02 Delta_ec 0.5324036E-03 Delta_et -0.4095460E-02 Pxc 0.4398291E+01 Qxc -0.4778572E+01 3,+1 57 3 -1 -2.239022 3.284788 2.249488 Rho 0.2302643E+00 |GRAD(Rho)| 0.2645930E-13 GRAD(Rho)x -0.1004573E-13 GRAD(Rho)y 0.2011309E-13 GRAD(Rho)z -0.1395141E-13 Laplacian 0.8524331E+00 (-1/4)Del**2(Rho)) -0.2131083E+00 Diamond 0.2866823E+01 Metallicity 0.6993006E+01 Ellipticity 0.3405883E-02 Gb(Abramov) 0.3904501E+00 Vb(Abramov) -0.5677919E+00 Hb(Abramov) -0.1773418E+00 Ex_ueg -0.1042367E+00 Ec_ueg -0.1376871E-01 Delta_ex -0.1018779E+00 Delta_ec 0.1904698E-01 Delta_et -0.2633421E+00 Pxc 0.7570548E+01 Qxc -0.5348769E+01 3,-1 58 3 +1 -0.849363 1.577385 -0.004851 Rho 0.7940688E-02 |GRAD(Rho)| 0.2518246E-14 GRAD(Rho)x -0.1248089E-14 GRAD(Rho)y 0.2104466E-14 GRAD(Rho)z -0.5958685E-15 Laplacian 0.3138411E-01 (-1/4)Del**2(Rho)) -0.7846027E-02 Diamond 0.7226866E-03 Metallicity 0.6939586E+00 Ellipticity -0.1356849E+01 Gb(Abramov) 0.6138154E-02 Vb(Abramov) -0.4430282E-02 Hb(Abramov) 0.1707873E-02 Ex_ueg -0.1170027E-02 Ec_ueg -0.2755779E-03 Delta_ex -0.1389794E-02 Delta_ec 0.4141332E-03 Delta_et -0.2795828E-02 Pxc 0.4245721E+01 Qxc -0.3355911E+01 3,+1 59 3 +1 0.248645 2.029793 -1.709984 Rho 0.2085877E-01 |GRAD(Rho)| 0.6473768E-16 GRAD(Rho)x -0.3393404E-16 GRAD(Rho)y -0.5271715E-16 GRAD(Rho)z 0.1613539E-16 Laplacian 0.7788661E-01 (-1/4)Del**2(Rho)) -0.1947165E-01 Diamond 0.7695984E-02 Metallicity 0.1398401E+01 Ellipticity -0.2990090E+01 Gb(Abramov) 0.1751930E-01 Vb(Abramov) -0.1556694E-01 Hb(Abramov) 0.1952355E-02 Ex_ueg -0.4240692E-02 Ec_ueg -0.8825598E-03 Delta_ex -0.4582933E-02 Delta_ec 0.1261315E-02 Delta_et -0.1066608E-01 Pxc 0.4804992E+01 Qxc -0.3633456E+01 3,+1 60 3 -1 -0.007459 2.976739 0.095973 Rho 0.5858083E-02 |GRAD(Rho)| 0.2339627E-17 GRAD(Rho)x 0.7482196E-18 GRAD(Rho)y -0.4508589E-18 GRAD(Rho)z 0.2170426E-17 Laplacian 0.2380808E-01 (-1/4)Del**2(Rho)) -0.5952020E-02 Diamond 0.7847327E-03 Metallicity 0.5509954E+00 Ellipticity 0.5016048E+01 Gb(Abramov) 0.4514603E-02 Vb(Abramov) -0.3077185E-02 Hb(Abramov) 0.1437417E-02 Ex_ueg -0.7799362E-03 Ec_ueg -0.1840245E-03 Delta_ex -0.1294349E-02 Delta_ec 0.8808529E-03 Delta_et -0.4964492E-02 Pxc 0.4238220E+01 Qxc -0.1469427E+01 3,-1 61 3 +3 -1.750471 1.027927 -0.022757 Rho 0.4785114E-02 |GRAD(Rho)| 0.2562215E-16 GRAD(Rho)x -0.1635047E-16 GRAD(Rho)y 0.7886074E-17 GRAD(Rho)z 0.1808222E-16 Laplacian 0.1810555E-01 (-1/4)Del**2(Rho)) -0.4526386E-02 Diamond 0.1435449E-03 Metallicity 0.5171565E+00 Ellipticity -0.5053777E+00 Gb(Abramov) 0.3407733E-02 Vb(Abramov) -0.2289079E-02 Hb(Abramov) 0.1118654E-02 Ex_ueg -0.5955361E-03 Ec_ueg -0.1376771E-03 Delta_ex -0.6420736E-03 Delta_ec 0.1228045E-03 Delta_et -0.8398736E-03 Pxc 0.4325600E+01 Qxc -0.5228420E+01 3,+3 62 3 +1 -0.038132 2.027054 2.874087 Rho 0.1202869E-01 |GRAD(Rho)| 0.1603946E-16 GRAD(Rho)x 0.8745318E-17 GRAD(Rho)y 0.2564121E-17 GRAD(Rho)z -0.1319883E-16 Laplacian 0.5559038E-01 (-1/4)Del**2(Rho)) -0.1389760E-01 Diamond 0.1891384E-02 Metallicity 0.7827879E+00 Ellipticity -0.1184964E+01 Gb(Abramov) 0.1107821E-01 Vb(Abramov) -0.8258822E-02 Hb(Abramov) 0.2819387E-02 Ex_ueg -0.2035524E-02 Ec_ueg -0.4608937E-03 Delta_ex -0.2635304E-02 Delta_ec 0.5449307E-03 Delta_et -0.4224023E-02 Pxc 0.4416472E+01 Qxc -0.4836035E+01 3,+1 63 3 +1 0.610921 1.622801 -0.065910 Rho 0.5880361E-02 |GRAD(Rho)| 0.6221661E-13 GRAD(Rho)x -0.3989905E-13 GRAD(Rho)y -0.3963972E-13 GRAD(Rho)z 0.2660199E-13 Laplacian 0.2287912E-01 (-1/4)Del**2(Rho)) -0.5719779E-02 Diamond 0.3870914E-03 Metallicity 0.5770063E+00 Ellipticity -0.1365912E+01 Gb(Abramov) 0.4363244E-02 Vb(Abramov) -0.3006709E-02 Hb(Abramov) 0.1356535E-02 Ex_ueg -0.7838934E-03 Ec_ueg -0.1849928E-03 Delta_ex -0.9673090E-03 Delta_ec 0.3511806E-03 Delta_et -0.2148341E-02 Pxc 0.4237426E+01 Qxc -0.2754448E+01 3,+1 64 3 -1 -1.526242 2.006146 -2.730884 Rho 0.1367726E+00 |GRAD(Rho)| 0.5116549E-13 GRAD(Rho)x -0.2756954E-13 GRAD(Rho)y 0.4305964E-13 GRAD(Rho)z 0.1922331E-14 Laplacian 0.5307427E+00 (-1/4)Del**2(Rho)) -0.1326857E+00 Diamond 0.9707915E+00 Metallicity 0.4714050E+01 Ellipticity 0.4643502E-01 Gb(Abramov) 0.1927049E+00 Vb(Abramov) -0.2527242E+00 Hb(Abramov) -0.6001926E-01 Ex_ueg -0.5204557E-01 Ec_ueg -0.7602223E-02 Delta_ex -0.5581736E-01 Delta_ec 0.1393807E-01 Delta_et -0.1833740E+00 Pxc 0.6846099E+01 Qxc -0.4004671E+01 3,-1 65 3 +1 -1.197436 -0.898328 1.645704 Rho 0.6413088E-02 |GRAD(Rho)| 0.4388342E-16 GRAD(Rho)x -0.1984215E-16 GRAD(Rho)y -0.1385602E-16 GRAD(Rho)z -0.3660676E-16 Laplacian 0.2318380E-01 (-1/4)Del**2(Rho)) -0.5795950E-02 Diamond 0.6960552E-03 Metallicity 0.6579716E+00 Ellipticity -0.4575970E+01 Gb(Abramov) 0.4499562E-02 Vb(Abramov) -0.3203174E-02 Hb(Abramov) 0.1296388E-02 Ex_ueg -0.8799837E-03 Ec_ueg -0.2082216E-03 Delta_ex -0.1170730E-02 Delta_ec 0.6590834E-03 Delta_et -0.3884104E-02 Pxc 0.4226189E+01 Qxc -0.1776300E+01 3,+1 66 3 -1 -1.317903 -1.006395 1.642549 Rho 0.6429686E-02 |GRAD(Rho)| 0.9470395E-15 GRAD(Rho)x 0.4488171E-15 GRAD(Rho)y 0.3730662E-15 GRAD(Rho)z 0.7458342E-15 Laplacian 0.2325295E-01 (-1/4)Del**2(Rho)) -0.5813238E-02 Diamond 0.8286055E-03 Metallicity 0.6588472E+00 Ellipticity 0.3161427E+01 Gb(Abramov) 0.4513831E-02 Vb(Abramov) -0.3214425E-02 Hb(Abramov) 0.1299407E-02 Ex_ueg -0.8830218E-03 Ec_ueg -0.2089475E-03 Delta_ex -0.1259871E-02 Delta_ec 0.8128457E-03 Delta_et -0.4728395E-02 Pxc 0.4226046E+01 Qxc -0.1549950E+01 3,-1 67 3 -1 -0.985705 1.611111 -1.590523 Rho 0.4923026E-01 |GRAD(Rho)| 0.8284730E-12 GRAD(Rho)x 0.5141524E-12 GRAD(Rho)y -0.6176055E-12 GRAD(Rho)z -0.2014406E-12 Laplacian 0.1870964E+00 (-1/4)Del**2(Rho)) -0.4677410E-01 Diamond 0.9164926E-01 Metallicity 0.2435573E+01 Ellipticity 0.1414133E-01 Gb(Abramov) 0.5016969E-01 Vb(Abramov) -0.5356528E-01 Hb(Abramov) -0.3395592E-02 Ex_ueg -0.1332584E-01 Ec_ueg -0.2372370E-02 Delta_ex -0.1528687E-01 Delta_ec 0.5479882E-02 Delta_et -0.5752445E-01 Pxc 0.5617100E+01 Qxc -0.2789635E+01 3,-1 68 3 -1 -1.531387 2.035646 2.740681 Rho 0.1603804E+00 |GRAD(Rho)| 0.7695318E-13 GRAD(Rho)x -0.2348249E-13 GRAD(Rho)y -0.6846570E-13 GRAD(Rho)z 0.2613068E-13 Laplacian 0.6308495E+00 (-1/4)Del**2(Rho)) -0.1577124E+00 Diamond 0.1387335E+01 Metallicity 0.5171377E+01 Ellipticity 0.6831865E-01 Gb(Abramov) 0.2410733E+00 Vb(Abramov) -0.3244342E+00 Hb(Abramov) -0.8336089E-01 Ex_ueg -0.6435566E-01 Ec_ueg -0.9111286E-02 Delta_ex -0.6889351E-01 Delta_ec 0.1577116E-01 Delta_et -0.2119056E+00 Pxc 0.7063290E+01 Qxc -0.4368322E+01 3,-1 69 3 -1 -1.704693 2.757497 -0.865722 Rho 0.1404957E+00 |GRAD(Rho)| 0.1649407E-15 GRAD(Rho)x 0.1407430E-16 GRAD(Rho)y -0.1140581E-15 GRAD(Rho)z -0.1183136E-15 Laplacian 0.5784594E+00 (-1/4)Del**2(Rho)) -0.1446148E+00 Diamond 0.1089985E+01 Metallicity 0.4523194E+01 Ellipticity 0.9608138E-02 Gb(Abramov) 0.2054300E+00 Vb(Abramov) -0.2662453E+00 Hb(Abramov) -0.6081521E-01 Ex_ueg -0.5394307E-01 Ec_ueg -0.7837904E-02 Delta_ex -0.6120312E-01 Delta_ec 0.1503896E-01 Delta_et -0.1985709E+00 Pxc 0.6882333E+01 Qxc -0.4069639E+01 3,-1 70 3 -1 -1.651639 2.801159 0.891548 Rho 0.1337381E+00 |GRAD(Rho)| 0.1129481E-13 GRAD(Rho)x -0.8925471E-14 GRAD(Rho)y 0.1579418E-14 GRAD(Rho)z -0.6738994E-14 Laplacian 0.5554792E+00 (-1/4)Del**2(Rho)) -0.1388698E+00 Diamond 0.9817580E+00 Metallicity 0.4338810E+01 Ellipticity 0.1237406E-01 Gb(Abramov) 0.1930015E+00 Vb(Abramov) -0.2471332E+00 Hb(Abramov) -0.5413169E-01 Ex_ueg -0.5051170E-01 Ec_ueg -0.7410794E-02 Delta_ex -0.5801856E-01 Delta_ec 0.1451604E-01 Delta_et -0.1900098E+00 Pxc 0.6815964E+01 Qxc -0.3996860E+01 3,-1 71 3 -1 -0.973790 -0.731932 0.011629 Rho 0.2075779E+00 |GRAD(Rho)| 0.3020564E-13 GRAD(Rho)x -0.1106754E-13 GRAD(Rho)y -0.2110812E-13 GRAD(Rho)z -0.1855634E-13 Laplacian 0.6036249E+00 (-1/4)Del**2(Rho)) -0.1509062E+00 Diamond 0.1737162E+01 Metallicity 0.8307708E+01 Ellipticity 0.2334564E-02 Gb(Abramov) 0.3095516E+00 Vb(Abramov) -0.4681970E+00 Hb(Abramov) -0.1586454E+00 Ex_ueg -0.9077367E-01 Ec_ueg -0.1222673E-01 Delta_ex -0.6987997E-01 Delta_ec 0.1325943E-01 Delta_et -0.1799170E+00 Pxc 0.7424197E+01 Qxc -0.5270210E+01 3,-1 72 3 +1 -0.822292 1.256186 -2.362711 Rho 0.3031710E-01 |GRAD(Rho)| 0.5125568E-16 GRAD(Rho)x -0.2576666E-16 GRAD(Rho)y 0.3783595E-16 GRAD(Rho)z -0.2305787E-16 Laplacian 0.1214395E+00 (-1/4)Del**2(Rho)) -0.3035987E-01 Diamond 0.2086140E-01 Metallicity 0.1672628E+01 Ellipticity -0.5088043E+01 Gb(Abramov) 0.2870337E-01 Vb(Abramov) -0.2704688E-01 Hb(Abramov) 0.1656494E-02 Ex_ueg -0.6981820E-02 Ec_ueg -0.1359975E-02 Delta_ex -0.7966805E-02 Delta_ec 0.2082546E-02 Delta_et -0.1925401E-01 Pxc 0.5133784E+01 Qxc -0.3825513E+01 3,+1 73 3 +1 -0.686110 1.060733 2.488933 Rho 0.2664469E-01 |GRAD(Rho)| 0.2395482E-16 GRAD(Rho)x 0.4045790E-17 GRAD(Rho)y 0.4651400E-17 GRAD(Rho)z -0.2314799E-16 Laplacian 0.1036528E+00 (-1/4)Del**2(Rho)) -0.2591321E-01 Diamond 0.1449733E-01 Metallicity 0.1580216E+01 Ellipticity -0.3569454E+01 Gb(Abramov) 0.2410022E-01 Vb(Abramov) -0.2228723E-01 Hb(Abramov) 0.1812991E-02 Ex_ueg -0.5877591E-02 Ec_ueg -0.1171873E-02 Delta_ex -0.6527352E-02 Delta_ec 0.1705045E-02 Delta_et -0.1529588E-01 Pxc 0.5015552E+01 Qxc -0.3828258E+01 3,+1 74 3 -1 -0.892803 1.677178 1.601879 Rho 0.4543059E-01 |GRAD(Rho)| 0.1085527E-15 GRAD(Rho)x 0.8103945E-16 GRAD(Rho)y -0.7221591E-16 GRAD(Rho)z -0.1074885E-17 Laplacian 0.1718873E+00 (-1/4)Del**2(Rho)) -0.4297183E-01 Diamond 0.7494256E-01 Metallicity 0.2318907E+01 Ellipticity 0.2112046E-01 Gb(Abramov) 0.4525583E-01 Vb(Abramov) -0.4753983E-01 Hb(Abramov) -0.2284001E-02 Ex_ueg -0.1197245E-01 Ec_ueg -0.2163895E-02 Delta_ex -0.1373651E-01 Delta_ec 0.4989837E-02 Delta_et -0.5127902E-01 Pxc 0.5532821E+01 Qxc -0.2752898E+01 3,-1 75 3 -1 -0.775872 3.021364 2.002727 Rho 0.1579096E+00 |GRAD(Rho)| 0.5779407E-15 GRAD(Rho)x -0.5657096E-15 GRAD(Rho)y -0.6945670E-16 GRAD(Rho)z -0.9572828E-16 Laplacian 0.6354127E+00 (-1/4)Del**2(Rho)) -0.1588532E+00 Diamond 0.1365099E+01 Metallicity 0.5003087E+01 Ellipticity 0.5428313E-01 Gb(Abramov) 0.2383615E+00 Vb(Abramov) -0.3178698E+00 Hb(Abramov) -0.7950831E-01 Ex_ueg -0.6303712E-01 Ec_ueg -0.8951748E-02 Delta_ex -0.6906550E-01 Delta_ec 0.1584044E-01 Delta_et -0.2121440E+00 Pxc 0.7041878E+01 Qxc -0.4360076E+01 3,-1 76 3 -1 -0.747993 0.851624 -3.520313 Rho 0.1334088E+00 |GRAD(Rho)| 0.9837838E-16 GRAD(Rho)x 0.9314652E-16 GRAD(Rho)y 0.3141476E-16 GRAD(Rho)z -0.3891693E-17 Laplacian 0.5112970E+00 (-1/4)Del**2(Rho)) -0.1278242E+00 Diamond 0.9117647E+00 Metallicity 0.4694404E+01 Ellipticity 0.4012318E-01 Gb(Abramov) 0.1852259E+00 Vb(Abramov) -0.2426276E+00 Hb(Abramov) -0.5740169E-01 Ex_ueg -0.5034590E-01 Ec_ueg -0.7390052E-02 Delta_ex -0.5349739E-01 Delta_ec 0.1359327E-01 Delta_et -0.1782950E+00 Pxc 0.6812659E+01 Qxc -0.3935578E+01 3,-1 77 3 -1 -0.780595 0.820323 3.504307 Rho 0.1017592E+00 |GRAD(Rho)| 0.1572695E-14 GRAD(Rho)x 0.1001627E-14 GRAD(Rho)y -0.1158965E-14 GRAD(Rho)z 0.3562485E-15 Laplacian 0.3848871E+00 (-1/4)Del**2(Rho)) -0.9622176E-01 Diamond 0.4901991E+00 Metallicity 0.3971026E+01 Ellipticity 0.2766330E-01 Gb(Abramov) 0.1278310E+00 Vb(Abramov) -0.1594403E+00 Hb(Abramov) -0.3160927E-01 Ex_ueg -0.3508731E-01 Ec_ueg -0.5431742E-02 Delta_ex -0.3768331E-01 Delta_ec 0.1073095E-01 Delta_et -0.1338100E+00 Pxc 0.6459679E+01 Qxc -0.3511648E+01 3,-1 78 3 +3 0.023817 1.866164 -2.636413 Rho 0.1137206E-01 |GRAD(Rho)| 0.8242700E-14 GRAD(Rho)x -0.1295405E-14 GRAD(Rho)y -0.5028650E-14 GRAD(Rho)z 0.6401305E-14 Laplacian 0.5183244E-01 (-1/4)Del**2(Rho)) -0.1295811E-01 Diamond 0.1082063E-02 Metallicity 0.7645575E+00 Ellipticity -0.6756467E+00 Gb(Abramov) 0.1028994E-01 Vb(Abramov) -0.7621776E-02 Hb(Abramov) 0.2668167E-02 Ex_ueg -0.1888733E-02 Ec_ueg -0.4306593E-03 Delta_ex -0.2248947E-02 Delta_ec 0.2031227E-03 Delta_et -0.1874077E-02 Pxc 0.4385679E+01 Qxc -0.1107186E+02 3,+3 79 3 +1 -0.008452 2.978334 0.194648 Rho 0.5854301E-02 |GRAD(Rho)| 0.1631688E-16 GRAD(Rho)x 0.1614135E-17 GRAD(Rho)y 0.1965982E-17 GRAD(Rho)z 0.1611739E-16 Laplacian 0.2417805E-01 (-1/4)Del**2(Rho)) -0.6044513E-02 Diamond 0.7261070E-03 Metallicity 0.5419804E+00 Ellipticity -0.5468254E+01 Gb(Abramov) 0.4575676E-02 Vb(Abramov) -0.3106840E-02 Hb(Abramov) 0.1468836E-02 Ex_ueg -0.7792648E-03 Ec_ueg -0.1838601E-03 Delta_ex -0.1261537E-02 Delta_ec 0.8003294E-03 Delta_et -0.4541524E-02 Pxc 0.4238358E+01 Qxc -0.1576272E+01 3,+1 80 3 -1 -0.861949 -0.608346 -3.438238 Rho 0.2273838E+00 |GRAD(Rho)| 0.1558225E-15 GRAD(Rho)x -0.6976841E-16 GRAD(Rho)y -0.2076247E-16 GRAD(Rho)z -0.1377750E-15 Laplacian 0.8815035E+00 (-1/4)Del**2(Rho)) -0.2203759E+00 Diamond 0.2891881E+01 Metallicity 0.6621985E+01 Ellipticity 0.7676079E-02 Gb(Abramov) 0.3901382E+00 Vb(Abramov) -0.5599005E+00 Hb(Abramov) -0.1697623E+00 Ex_ueg -0.1025017E+00 Ec_ueg -0.1357135E-01 Delta_ex -0.1048472E+00 Delta_ec 0.1948115E-01 Delta_et -0.2680026E+00 Pxc 0.7552799E+01 Qxc -0.5381983E+01 3,-1 81 3 +1 0.627718 -0.664915 -1.497208 Rho 0.9463652E-02 |GRAD(Rho)| 0.2475302E-17 GRAD(Rho)x 0.4512303E-18 GRAD(Rho)y -0.1526843E-18 GRAD(Rho)z -0.2429032E-17 Laplacian 0.3852276E-01 (-1/4)Del**2(Rho)) -0.9630691E-02 Diamond 0.1131339E-02 Metallicity 0.7574030E+00 Ellipticity -0.1394910E+01 Gb(Abramov) 0.7636180E-02 Vb(Abramov) -0.5641668E-02 Hb(Abramov) 0.1994511E-02 Ex_ueg -0.1478416E-02 Ec_ueg -0.3437860E-03 Delta_ex -0.1786040E-02 Delta_ec 0.5114163E-03 Delta_et -0.3606430E-02 Pxc 0.4300397E+01 Qxc -0.3492340E+01 3,+1 82 3 -1 -0.809383 -0.603922 3.375583 Rho 0.2165045E+00 |GRAD(Rho)| 0.3010994E-10 GRAD(Rho)x -0.2263970E-10 GRAD(Rho)y -0.1888912E-10 GRAD(Rho)z -0.6103552E-11 Laplacian 0.8420671E+00 (-1/4)Del**2(Rho)) -0.2105168E+00 Diamond 0.2600320E+01 Metallicity 0.6388191E+01 Ellipticity 0.1539607E-01 Gb(Abramov) 0.3644814E+00 Vb(Abramov) -0.5184461E+00 Hb(Abramov) -0.1539646E+00 Ex_ueg -0.9601540E-01 Ec_ueg -0.1283008E-01 Delta_ex -0.9886635E-01 Delta_ec 0.1883132E-01 Delta_et -0.2582827E+00 Pxc 0.7483618E+01 Qxc -0.5250101E+01 3,-1 83 3 +3 1.474236 0.924024 0.006517 Rho 0.3167882E-02 |GRAD(Rho)| 0.8962151E-13 GRAD(Rho)x 0.6850974E-13 GRAD(Rho)y 0.5757349E-13 GRAD(Rho)z -0.4870608E-14 Laplacian 0.1210505E-01 (-1/4)Del**2(Rho)) -0.3026263E-02 Diamond 0.5742119E-04 Metallicity 0.3889809E+00 Ellipticity -0.3429987E+00 Gb(Abramov) 0.2213702E-02 Vb(Abramov) -0.1401140E-02 Hb(Abramov) 0.8125612E-03 Ex_ueg -0.3436190E-03 Ec_ueg -0.6894192E-04 Delta_ex -0.3897677E-03 Delta_ec 0.9006380E-04 Delta_et -0.5470050E-03 Pxc 0.4984181E+01 Qxc -0.4327684E+01 3,+3 84 3 +3 -0.033749 1.855418 2.649629 Rho 0.1176740E-01 |GRAD(Rho)| 0.7313648E-14 GRAD(Rho)x -0.6308792E-15 GRAD(Rho)y -0.4474928E-14 GRAD(Rho)z -0.5750344E-14 Laplacian 0.5321244E-01 (-1/4)Del**2(Rho)) -0.1330311E-01 Diamond 0.1178069E-02 Metallicity 0.7883778E+00 Ellipticity -0.6384664E+00 Gb(Abramov) 0.1061672E-01 Vb(Abramov) -0.7930330E-02 Hb(Abramov) 0.2686391E-02 Ex_ueg -0.1976784E-02 Ec_ueg -0.4488422E-03 Delta_ex -0.2335894E-02 Delta_ec 0.2152904E-03 Delta_et -0.1975705E-02 Pxc 0.4404185E+01 Qxc -0.1084997E+02 3,+3 85 3 +1 0.233449 2.078044 1.706211 Rho 0.2204580E-01 |GRAD(Rho)| 0.3207571E-12 GRAD(Rho)x -0.3040903E-12 GRAD(Rho)y 0.9554765E-13 GRAD(Rho)z 0.3584512E-13 Laplacian 0.8063643E-01 (-1/4)Del**2(Rho)) -0.2015911E-01 Diamond 0.7888687E-02 Metallicity 0.1481238E+01 Ellipticity -0.2526252E+01 Gb(Abramov) 0.1841614E-01 Vb(Abramov) -0.1667318E-01 Hb(Abramov) 0.1742963E-02 Ex_ueg -0.4565477E-02 Ec_ueg -0.9411567E-03 Delta_ex -0.4724052E-02 Delta_ec 0.1143151E-02 Delta_et -0.9853182E-02 Pxc 0.4850921E+01 Qxc -0.4132481E+01 3,+1 86 3 +3 0.001915 2.158875 -0.058728 Rho 0.4081302E-02 |GRAD(Rho)| 0.1130249E-16 GRAD(Rho)x 0.1118573E-16 GRAD(Rho)y -0.1620165E-17 GRAD(Rho)z -0.2682665E-19 Laplacian 0.1661171E-01 (-1/4)Del**2(Rho)) -0.4152928E-02 Diamond 0.1083517E-03 Metallicity 0.4323777E+00 Ellipticity -0.2938705E+00 Gb(Abramov) 0.3067891E-02 Vb(Abramov) -0.1982854E-02 Hb(Abramov) 0.1085037E-02 Ex_ueg -0.4817075E-03 Ec_ueg -0.1075943E-03 Delta_ex -0.5675881E-03 Delta_ec 0.1176458E-03 Delta_et -0.7678194E-03 Pxc 0.4477074E+01 Qxc -0.4824549E+01 3,+3 87 3 +1 -0.002795 2.994580 -0.246205 Rho 0.5749238E-02 |GRAD(Rho)| 0.3203656E-16 GRAD(Rho)x -0.2828268E-16 GRAD(Rho)y -0.6511442E-17 GRAD(Rho)z -0.1356585E-16 Laplacian 0.2397767E-01 (-1/4)Del**2(Rho)) -0.5994417E-02 Diamond 0.6226469E-03 Metallicity 0.5302613E+00 Ellipticity -0.2247205E+01 Gb(Abramov) 0.4526046E-02 Vb(Abramov) -0.3057675E-02 Hb(Abramov) 0.1468371E-02 Ex_ueg -0.7606743E-03 Ec_ueg -0.1792967E-03 Delta_ex -0.1184944E-02 Delta_ec 0.6834409E-03 Delta_et -0.3898799E-02 Pxc 0.4242545E+01 Qxc -0.1733791E+01 3,+1 88 3 -1 -0.221361 0.261300 0.654364 Rho 0.1619041E+00 |GRAD(Rho)| 0.1223582E-12 GRAD(Rho)x 0.8395324E-13 GRAD(Rho)y -0.8115210E-13 GRAD(Rho)z -0.3657491E-13 Laplacian 0.3800961E+00 (-1/4)Del**2(Rho)) -0.9502402E-01 Diamond 0.8651231E+00 Metallicity 0.8719327E+01 Ellipticity 0.4794611E-02 Gb(Abramov) 0.2014403E+00 Vb(Abramov) -0.3078565E+00 Hb(Abramov) -0.1064162E+00 Ex_ueg -0.6517218E-01 Ec_ueg -0.9209854E-02 Delta_ex -0.4178394E-01 Delta_ec 0.9795830E-02 Delta_et -0.1325899E+00 Pxc 0.7076354E+01 Qxc -0.4265483E+01 3,-1 89 3 -1 -0.111427 0.400807 2.417296 Rho 0.4929224E-01 |GRAD(Rho)| 0.2610846E-15 GRAD(Rho)x -0.7151072E-17 GRAD(Rho)y -0.7693748E-16 GRAD(Rho)z 0.2493885E-15 Laplacian 0.1891609E+00 (-1/4)Del**2(Rho)) -0.4729023E-01 Diamond 0.9560062E-01 Metallicity 0.2414048E+01 Ellipticity 0.1725412E-01 Gb(Abramov) 0.5055364E-01 Vb(Abramov) -0.5381705E-01 Hb(Abramov) -0.3263408E-02 Ex_ueg -0.1334821E-01 Ec_ueg -0.2375789E-02 Delta_ex -0.1558264E-01 Delta_ec 0.5758435E-02 Delta_et -0.6052881E-01 Pxc 0.5618434E+01 Qxc -0.2706055E+01 3,-1 90 3 -1 -0.165723 0.392362 -2.420482 Rho 0.5886000E-01 |GRAD(Rho)| 0.3391280E-15 GRAD(Rho)x -0.5842251E-17 GRAD(Rho)y 0.1116923E-15 GRAD(Rho)z 0.3201539E-15 Laplacian 0.2251595E+00 (-1/4)Del**2(Rho)) -0.5628987E-01 Diamond 0.1414233E+00 Metallicity 0.2725775E+01 Ellipticity 0.2000651E-01 Gb(Abramov) 0.6309883E-01 Vb(Abramov) -0.6990780E-01 Hb(Abramov) -0.6808962E-02 Ex_ueg -0.1691007E-01 Ec_ueg -0.2910176E-02 Delta_ex -0.1927863E-01 Delta_ec 0.6635076E-02 Delta_et -0.7293984E-01 Pxc 0.5810669E+01 Qxc -0.2905562E+01 3,-1 91 3 +1 0.610888 1.181250 2.355094 Rho 0.2447158E-01 |GRAD(Rho)| 0.6401961E-16 GRAD(Rho)x -0.4797832E-16 GRAD(Rho)y -0.2696468E-16 GRAD(Rho)z -0.3270318E-16 Laplacian 0.9854479E-01 (-1/4)Del**2(Rho)) -0.2463620E-01 Diamond 0.1447850E-01 Metallicity 0.1442391E+01 Ellipticity -0.2013325E+02 Gb(Abramov) 0.2234664E-01 Vb(Abramov) -0.2005707E-01 Hb(Abramov) 0.2289562E-02 Ex_ueg -0.5247283E-02 Ec_ueg -0.1062146E-02 Delta_ex -0.6313504E-02 Delta_ec 0.2063949E-02 Delta_et -0.1802706E-01 Pxc 0.4940265E+01 Qxc -0.3058943E+01 3,+1 92 3 +1 2.076403 0.016486 -2.024066 Rho 0.4238981E-02 |GRAD(Rho)| 0.9291496E-17 GRAD(Rho)x 0.1923444E-17 GRAD(Rho)y 0.8711228E-17 GRAD(Rho)z 0.2597453E-17 Laplacian 0.1720661E-01 (-1/4)Del**2(Rho)) -0.4301652E-02 Diamond 0.3490540E-03 Metallicity 0.4446521E+00 Ellipticity -0.3910389E+01 Gb(Abramov) 0.3186558E-02 Vb(Abramov) -0.2071464E-02 Hb(Abramov) 0.1115094E-02 Ex_ueg -0.5066799E-03 Ec_ueg -0.1143115E-03 Delta_ex -0.8609795E-03 Delta_ec 0.5989094E-03 Delta_et -0.3071546E-02 Pxc 0.4432449E+01 Qxc -0.1437579E+01 3,+1 93 3 -1 2.698769 -1.990028 -1.521660 Rho 0.7460020E-01 |GRAD(Rho)| 0.5526878E-16 GRAD(Rho)x 0.1386932E-16 GRAD(Rho)y -0.5342914E-16 GRAD(Rho)z 0.2757939E-17 Laplacian 0.2986279E+00 (-1/4)Del**2(Rho)) -0.7465698E-01 Diamond 0.2569655E+00 Metallicity 0.3050582E+01 Ellipticity 0.9421544E-02 Gb(Abramov) 0.8772920E-01 Vb(Abramov) -0.1008014E+00 Hb(Abramov) -0.1307222E-01 Ex_ueg -0.2319379E-01 Ec_ueg -0.3814153E-02 Delta_ex -0.2712860E-01 Delta_ec 0.8696889E-02 Delta_et -0.1013162E+00 Pxc 0.6080981E+01 Qxc -0.3119345E+01 3,-1 94 3 +1 2.194139 -0.035457 2.077906 Rho 0.4679718E-02 |GRAD(Rho)| 0.1264067E-16 GRAD(Rho)x -0.8004700E-17 GRAD(Rho)y -0.6625121E-17 GRAD(Rho)z 0.7198543E-17 Laplacian 0.1869831E-01 (-1/4)Del**2(Rho)) -0.4674576E-02 Diamond 0.4339423E-03 Metallicity 0.4825145E+00 Ellipticity -0.5490983E+01 Gb(Abramov) 0.3492309E-02 Vb(Abramov) -0.2310042E-02 Hb(Abramov) 0.1182267E-02 Ex_ueg -0.5781111E-03 Ec_ueg -0.1331559E-03 Delta_ex -0.9534381E-03 Delta_ec 0.6522053E-03 Delta_et -0.3446443E-02 Pxc 0.4341611E+01 Qxc -0.1461868E+01 3,+1 95 3 -1 0.632335 0.811414 3.476376 Rho 0.8683419E-01 |GRAD(Rho)| 0.1781640E-15 GRAD(Rho)x 0.1585544E-15 GRAD(Rho)y 0.7685299E-16 GRAD(Rho)z 0.2639164E-16 Laplacian 0.3549472E+00 (-1/4)Del**2(Rho)) -0.8873680E-01 Diamond 0.3678181E+00 Metallicity 0.3305730E+01 Ellipticity 0.2630875E-01 Gb(Abramov) 0.1080479E+00 Vb(Abramov) -0.1273589E+00 Hb(Abramov) -0.1931105E-01 Ex_ueg -0.2839920E-01 Ec_ueg -0.4534675E-02 Delta_ex -0.3339107E-01 Delta_ec 0.1004088E-01 Delta_et -0.1209820E+00 Pxc 0.6262676E+01 Qxc -0.3325512E+01 3,-1 96 3 -1 0.677932 0.794955 -3.452358 Rho 0.7903064E-01 |GRAD(Rho)| 0.3899693E-15 GRAD(Rho)x -0.1185524E-15 GRAD(Rho)y -0.3620558E-15 GRAD(Rho)z 0.8328875E-16 Laplacian 0.3162865E+00 (-1/4)Del**2(Rho)) -0.7907162E-01 Diamond 0.2926307E+00 Metallicity 0.3170967E+01 Ellipticity 0.1345076E-01 Gb(Abramov) 0.9450333E-01 Vb(Abramov) -0.1099350E+00 Hb(Abramov) -0.1543171E-01 Ex_ueg -0.2504835E-01 Ec_ueg -0.4073422E-02 Delta_ex -0.2912685E-01 Delta_ec 0.9133859E-02 Delta_et -0.1078251E+00 Pxc 0.6149215E+01 Qxc -0.3188888E+01 3,-1 97 3 +1 1.499291 0.421721 -0.822112 Rho 0.5052450E-02 |GRAD(Rho)| 0.5327265E-16 GRAD(Rho)x 0.4036952E-16 GRAD(Rho)y 0.3142119E-16 GRAD(Rho)z -0.1486560E-16 Laplacian 0.1914562E-01 (-1/4)Del**2(Rho)) -0.4786405E-02 Diamond 0.2770862E-03 Metallicity 0.5354437E+00 Ellipticity -0.1386611E+01 Gb(Abramov) 0.3618079E-02 Vb(Abramov) -0.2449752E-02 Hb(Abramov) 0.1168327E-02 Ex_ueg -0.6403063E-03 Ec_ueg -0.1491706E-03 Delta_ex -0.7929280E-03 Delta_ec 0.3156208E-03 Delta_et -0.1835470E-02 Pxc 0.4292442E+01 Qxc -0.2512280E+01 3,+1 98 3 +1 0.735162 1.386135 -2.146531 Rho 0.2170414E-01 |GRAD(Rho)| 0.4452525E-16 GRAD(Rho)x 0.3742163E-16 GRAD(Rho)y 0.1701707E-16 GRAD(Rho)z -0.1710376E-16 Laplacian 0.8162003E-01 (-1/4)Del**2(Rho)) -0.2040501E-01 Diamond 0.8572292E-02 Metallicity 0.1425785E+01 Ellipticity -0.3152119E+01 Gb(Abramov) 0.1845220E-01 Vb(Abramov) -0.1649938E-01 Hb(Abramov) 0.1952812E-02 Ex_ueg -0.4471382E-02 Ec_ueg -0.9242488E-03 Delta_ex -0.4860777E-02 Delta_ec 0.1334486E-02 Delta_et -0.1139158E-01 Pxc 0.4837855E+01 Qxc -0.3642433E+01 3,+1 99 3 -1 0.747629 1.664917 -1.649787 Rho 0.2481651E-01 |GRAD(Rho)| 0.6229068E-16 GRAD(Rho)x -0.4612544E-16 GRAD(Rho)y -0.3733324E-16 GRAD(Rho)z 0.1894205E-16 Laplacian 0.9691251E-01 (-1/4)Del**2(Rho)) -0.2422813E-01 Diamond 0.1798436E-01 Metallicity 0.1501302E+01 Ellipticity 0.1061767E+00 Gb(Abramov) 0.2221437E-01 Vb(Abramov) -0.2020062E-01 Hb(Abramov) 0.2013755E-02 Ex_ueg -0.5346129E-02 Ec_ueg -0.1079480E-02 Delta_ex -0.6611922E-02 Delta_ec 0.2709232E-02 Delta_et -0.2361938E-01 Pxc 0.4952502E+01 Qxc -0.2440515E+01 3,-1 100 3 -1 0.823301 1.637771 1.600614 Rho 0.3069806E-01 |GRAD(Rho)| 0.1398389E-15 GRAD(Rho)x 0.8092225E-16 GRAD(Rho)y 0.1115291E-15 GRAD(Rho)z 0.2382754E-16 Laplacian 0.1117001E+00 (-1/4)Del**2(Rho)) -0.2792502E-01 Diamond 0.2731327E-01 Metallicity 0.1856712E+01 Ellipticity 0.1190995E+00 Gb(Abramov) 0.2725813E-01 Vb(Abramov) -0.2659125E-01 Hb(Abramov) 0.6668862E-03 Ex_ueg -0.7099040E-02 Ec_ueg -0.1379670E-02 Delta_ex -0.7996191E-02 Delta_ec 0.3064564E-02 Delta_et -0.2833819E-01 Pxc 0.5145463E+01 Qxc -0.2609242E+01 3,-1 101 3 +1 0.690348 -0.655057 1.527364 Rho 0.8655944E-02 |GRAD(Rho)| 0.1842056E-16 GRAD(Rho)x 0.4336084E-17 GRAD(Rho)y -0.1864426E-17 GRAD(Rho)z 0.1780560E-16 Laplacian 0.3453516E-01 (-1/4)Del**2(Rho)) -0.8633789E-02 Diamond 0.8985970E-03 Metallicity 0.7281304E+00 Ellipticity -0.1382968E+01 Gb(Abramov) 0.6803613E-02 Vb(Abramov) -0.4973438E-02 Hb(Abramov) 0.1830176E-02 Ex_ueg -0.1312616E-02 Ec_ueg -0.3074839E-03 Delta_ex -0.1565189E-02 Delta_ec 0.4589992E-03 Delta_et -0.3164338E-02 Pxc 0.4268893E+01 Qxc -0.3410004E+01 3,+1 102 3 -1 0.574755 -0.635764 -3.168435 Rho 0.1378841E+00 |GRAD(Rho)| 0.6817756E-13 GRAD(Rho)x -0.6675060E-13 GRAD(Rho)y -0.1166887E-13 GRAD(Rho)z -0.7508283E-14 Laplacian 0.5729956E+00 (-1/4)Del**2(Rho)) -0.1432489E+00 Diamond 0.1057465E+01 Metallicity 0.4425734E+01 Ellipticity 0.2147170E-02 Gb(Abramov) 0.2011629E+00 Vb(Abramov) -0.2590768E+00 Hb(Abramov) -0.5791395E-01 Ex_ueg -0.5261026E-01 Ec_ueg -0.7672490E-02 Delta_ex -0.6036983E-01 Delta_ec 0.1500140E-01 Delta_et -0.1975794E+00 Pxc 0.6857000E+01 Qxc -0.4024281E+01 3,-1 103 3 -1 0.414136 -0.706852 -0.001339 Rho 0.1588076E+00 |GRAD(Rho)| 0.2813713E-12 GRAD(Rho)x -0.2756857E-12 GRAD(Rho)y -0.5621024E-13 GRAD(Rho)z 0.2755446E-14 Laplacian 0.3704689E+00 (-1/4)Del**2(Rho)) -0.9261723E-01 Diamond 0.8235714E+00 Metallicity 0.8662569E+01 Ellipticity 0.3939701E-02 Gb(Abramov) 0.1954620E+00 Vb(Abramov) -0.2983068E+00 Hb(Abramov) -0.1028448E+00 Ex_ueg -0.6351554E-01 Ec_ueg -0.9009689E-02 Delta_ex -0.4052956E-01 Delta_ec 0.9588708E-02 Delta_et -0.1294328E+00 Pxc 0.7049693E+01 Qxc -0.4226801E+01 3,-1 104 3 -1 0.626958 -0.630723 3.206212 Rho 0.1333060E+00 |GRAD(Rho)| 0.1074526E-15 GRAD(Rho)x 0.1022945E-15 GRAD(Rho)y 0.3027635E-16 GRAD(Rho)z 0.1285457E-16 Laplacian 0.5469941E+00 (-1/4)Del**2(Rho)) -0.1367485E+00 Diamond 0.9562739E+00 Metallicity 0.4382413E+01 Ellipticity 0.1217419E-01 Gb(Abramov) 0.1910471E+00 Vb(Abramov) -0.2453457E+00 Hb(Abramov) -0.5429859E-01 Ex_ueg -0.5029421E-01 Ec_ueg -0.7383583E-02 Delta_ex -0.5700908E-01 Delta_ec 0.1416522E-01 Delta_et -0.1850515E+00 Pxc 0.6811627E+01 Qxc -0.4024582E+01 3,-1 105 3 +1 1.742220 -2.289556 0.043819 Rho 0.3087698E-01 |GRAD(Rho)| 0.4526689E-15 GRAD(Rho)x 0.3733419E-15 GRAD(Rho)y 0.9896810E-16 GRAD(Rho)z 0.2360726E-15 Laplacian 0.1252001E+00 (-1/4)Del**2(Rho)) -0.3130003E-01 Diamond 0.2251468E-01 Metallicity 0.1672629E+01 Ellipticity -0.6206001E+01 Gb(Abramov) 0.2959225E-01 Vb(Abramov) -0.2788446E-01 Hb(Abramov) 0.1707787E-02 Ex_ueg -0.7154260E-02 Ec_ueg -0.1388931E-02 Delta_ex -0.8291734E-02 Delta_ec 0.2214041E-02 Delta_et -0.2055434E-01 Pxc 0.5150912E+01 Qxc -0.3745067E+01 3,+1 106 3 -1 0.835542 2.998927 -1.986077 Rho 0.1561843E+00 |GRAD(Rho)| 0.4447869E-13 GRAD(Rho)x 0.4207469E-13 GRAD(Rho)y -0.1441052E-13 GRAD(Rho)z 0.6415716E-15 Laplacian 0.6063185E+00 (-1/4)Del**2(Rho)) -0.1515796E+00 Diamond 0.1280021E+01 Metallicity 0.5148033E+01 Ellipticity 0.4505563E-01 Gb(Abramov) 0.2311092E+00 Vb(Abramov) -0.3106388E+00 Hb(Abramov) -0.7952960E-01 Ex_ueg -0.6212049E-01 Ec_ueg -0.8840566E-02 Delta_ex -0.6567225E-01 Delta_ec 0.1506443E-01 Delta_et -0.2012360E+00 Pxc 0.7026755E+01 Qxc -0.4359426E+01 3,-1 107 3 -1 0.846766 2.974341 1.984240 Rho 0.1148129E+00 |GRAD(Rho)| 0.2687353E-15 GRAD(Rho)x -0.2248635E-15 GRAD(Rho)y 0.1438940E-15 GRAD(Rho)z 0.3081506E-16 Laplacian 0.4574234E+00 (-1/4)Del**2(Rho)) -0.1143559E+00 Diamond 0.6749198E+00 Metallicity 0.4085822E+01 Ellipticity 0.1046019E-01 Gb(Abramov) 0.1541102E+00 Vb(Abramov) -0.1938645E+00 Hb(Abramov) -0.3975433E-01 Ex_ueg -0.4121350E-01 Ec_ueg -0.6230791E-02 Delta_ex -0.4609054E-01 Delta_ec 0.1244039E-01 Delta_et -0.1587535E+00 Pxc 0.6614489E+01 Qxc -0.3704911E+01 3,-1 108 3 +3 1.630923 0.022511 -1.532531 Rho 0.3547589E-02 |GRAD(Rho)| 0.3581211E-17 GRAD(Rho)x 0.9706154E-18 GRAD(Rho)y 0.3382285E-17 GRAD(Rho)z 0.6656778E-18 Laplacian 0.1449862E-01 (-1/4)Del**2(Rho)) -0.3624654E-02 Diamond 0.9596650E-04 Metallicity 0.3922011E+00 Ellipticity -0.1023495E+00 Gb(Abramov) 0.2653369E-02 Vb(Abramov) -0.1682083E-02 Hb(Abramov) 0.9712859E-03 Ex_ueg -0.3996037E-03 Ec_ueg -0.8495529E-04 Delta_ex -0.5037337E-03 Delta_ec 0.1492553E-03 Delta_et -0.8581560E-03 Pxc 0.4703694E+01 Qxc -0.3374980E+01 3,+3 109 3 +3 1.682376 -0.022775 1.504067 Rho 0.3548029E-02 |GRAD(Rho)| 0.8950345E-15 GRAD(Rho)x -0.7205595E-15 GRAD(Rho)y 0.4970212E-15 GRAD(Rho)z -0.1866833E-15 Laplacian 0.1436627E-01 (-1/4)Del**2(Rho)) -0.3591568E-02 Diamond 0.8554479E-04 Metallicity 0.3958959E+00 Ellipticity -0.1950758E+00 Gb(Abramov) 0.2631360E-02 Vb(Abramov) -0.1671152E-02 Hb(Abramov) 0.9602081E-03 Ex_ueg -0.3996697E-03 Ec_ueg -0.8497387E-04 Delta_ex -0.4851230E-03 Delta_ec 0.1228476E-03 Delta_et -0.7380611E-03 Pxc 0.4703442E+01 Qxc -0.3948982E+01 3,+3 110 3 -1 0.936192 -3.107483 -1.702581 Rho 0.2282507E+00 |GRAD(Rho)| 0.4514410E-15 GRAD(Rho)x -0.3690624E-15 GRAD(Rho)y -0.2598291E-15 GRAD(Rho)z 0.8988714E-17 Laplacian 0.8806703E+00 (-1/4)Del**2(Rho)) -0.2201676E+00 Diamond 0.2905112E+01 Metallicity 0.6670421E+01 Ellipticity 0.7833830E-02 Gb(Abramov) 0.3915468E+00 Vb(Abramov) -0.5629260E+00 Hb(Abramov) -0.1713792E+00 Ex_ueg -0.1030231E+00 Ec_ueg -0.1363070E-01 Delta_ex -0.1048673E+00 Delta_ec 0.1946864E-01 Delta_et -0.2679882E+00 Pxc 0.7558165E+01 Qxc -0.5386473E+01 3,-1 111 3 -1 0.994454 -3.064648 1.738767 Rho 0.2261497E+00 |GRAD(Rho)| 0.6517096E-15 GRAD(Rho)x 0.4328135E-15 GRAD(Rho)y 0.4869694E-15 GRAD(Rho)z -0.1608346E-16 Laplacian 0.8801523E+00 (-1/4)Del**2(Rho)) -0.2200381E+00 Diamond 0.2865197E+01 Metallicity 0.6572268E+01 Ellipticity 0.8975711E-02 Gb(Abramov) 0.3877169E+00 Vb(Abramov) -0.5553958E+00 Hb(Abramov) -0.1676788E+00 Ex_ueg -0.1017606E+00 Ec_ueg -0.1348694E-01 Delta_ex -0.1045188E+00 Delta_ec 0.1944709E-01 Delta_et -0.2673266E+00 Pxc 0.7545124E+01 Qxc -0.5374521E+01 3,-1 112 3 -1 2.441128 -0.689778 -0.023257 Rho 0.2222903E-01 |GRAD(Rho)| 0.9987282E-16 GRAD(Rho)x -0.9985724E-16 GRAD(Rho)y -0.1219780E-17 GRAD(Rho)z -0.1274062E-17 Laplacian 0.8561084E-01 (-1/4)Del**2(Rho)) -0.2140271E-01 Diamond 0.1322785E-01 Metallicity 0.1414551E+01 Ellipticity 0.1801376E+00 Gb(Abramov) 0.1931434E-01 Vb(Abramov) -0.1722598E-01 Hb(Abramov) 0.2088367E-02 Ex_ueg -0.4616140E-02 Ec_ueg -0.9502382E-03 Delta_ex -0.5630929E-02 Delta_ec 0.2292328E-02 Delta_et -0.1939652E-01 Pxc 0.4857877E+01 Qxc -0.2456424E+01 3,-1 113 3 +1 2.484961 -0.983479 0.381910 Rho 0.2026905E-01 |GRAD(Rho)| 0.2090135E-16 GRAD(Rho)x -0.1266243E-16 GRAD(Rho)y 0.1410953E-16 GRAD(Rho)z 0.8800595E-17 Laplacian 0.7491452E-01 (-1/4)Del**2(Rho)) -0.1872863E-01 Diamond 0.7028330E-02 Metallicity 0.1386020E+01 Ellipticity -0.2885944E+01 Gb(Abramov) 0.1681213E-01 Vb(Abramov) -0.1489563E-01 Hb(Abramov) 0.1916500E-02 Ex_ueg -0.4081592E-02 Ec_ueg -0.8536029E-03 Delta_ex -0.4362021E-02 Delta_ec 0.1190698E-02 Delta_et -0.1000624E-01 Pxc 0.4781605E+01 Qxc -0.3663416E+01 3,+1 114 3 -1 1.662590 2.779413 -0.877522 Rho 0.1148703E+00 |GRAD(Rho)| 0.1859067E-12 GRAD(Rho)x 0.1120109E-12 GRAD(Rho)y -0.1352834E-12 GRAD(Rho)z -0.6093657E-13 Laplacian 0.4735484E+00 (-1/4)Del**2(Rho)) -0.1183871E+00 Diamond 0.6902082E+00 Metallicity 0.3949984E+01 Ellipticity 0.1561891E-01 Gb(Abramov) 0.1568626E+00 Vb(Abramov) -0.1953381E+00 Hb(Abramov) -0.3847550E-01 Ex_ueg -0.4124098E-01 Ec_ueg -0.6234333E-02 Delta_ex -0.4759408E-01 Delta_ec 0.1265093E-01 Delta_et -0.1611089E+00 Pxc 0.6615139E+01 Qxc -0.3762102E+01 3,-1 115 3 -1 1.691803 2.751290 0.892633 Rho 0.1516733E+00 |GRAD(Rho)| 0.6423061E-13 GRAD(Rho)x -0.4113115E-13 GRAD(Rho)y 0.2827918E-13 GRAD(Rho)z 0.4042385E-13 Laplacian 0.6298033E+00 (-1/4)Del**2(Rho)) -0.1574508E+00 Diamond 0.1289197E+01 Metallicity 0.4719798E+01 Ellipticity 0.1163817E-01 Gb(Abramov) 0.2288232E+00 Vb(Abramov) -0.3001956E+00 Hb(Abramov) -0.7137241E-01 Ex_ueg -0.5973982E-01 Ec_ueg -0.8550715E-02 Delta_ex -0.6777836E-01 Delta_ec 0.1586159E-01 Delta_et -0.2112997E+00 Pxc 0.6986529E+01 Qxc -0.4273113E+01 3,-1 116 3 -1 2.381254 1.856206 -1.536864 Rho 0.1257354E+00 |GRAD(Rho)| 0.2575150E-15 GRAD(Rho)x 0.1756611E-15 GRAD(Rho)y -0.1510429E-15 GRAD(Rho)z 0.1124419E-15 Laplacian 0.5248012E+00 (-1/4)Del**2(Rho)) -0.1312003E+00 Diamond 0.8524605E+00 Metallicity 0.4143628E+01 Ellipticity 0.1386501E-01 Gb(Abramov) 0.1780744E+00 Vb(Abramov) -0.2249485E+00 Hb(Abramov) -0.4687409E-01 Ex_ueg -0.4652234E-01 Ec_ueg -0.6908840E-02 Delta_ex -0.5389464E-01 Delta_ec 0.1371984E-01 Delta_et -0.1774409E+00 Pxc 0.6733742E+01 Qxc -0.3928228E+01 3,-1 117 3 -1 2.458499 1.812129 1.587178 Rho 0.1733636E+00 |GRAD(Rho)| 0.1318470E-15 GRAD(Rho)x -0.8052912E-16 GRAD(Rho)y 0.1043274E-15 GRAD(Rho)z 0.3808260E-17 Laplacian 0.7150775E+00 (-1/4)Del**2(Rho)) -0.1787694E+00 Diamond 0.1714791E+01 Metallicity 0.5194254E+01 Ellipticity 0.3000979E-01 Gb(Abramov) 0.2739419E+00 Vb(Abramov) -0.3691143E+00 Hb(Abramov) -0.9517247E-01 Ex_ueg -0.7139409E-01 Ec_ueg -0.9955537E-02 Delta_ex -0.7952358E-01 Delta_ec 0.1734943E-01 Delta_et -0.2348173E+00 Pxc 0.7171295E+01 Qxc -0.4583641E+01 3,-1 118 3 +1 2.532751 1.797050 0.057308 Rho 0.1249027E-01 |GRAD(Rho)| 0.6287371E-16 GRAD(Rho)x -0.6834666E-17 GRAD(Rho)y -0.6124990E-16 GRAD(Rho)z -0.1244349E-16 Laplacian 0.6167041E-01 (-1/4)Del**2(Rho)) -0.1541760E-01 Diamond 0.2579212E-02 Metallicity 0.7513160E+00 Ellipticity -0.1278455E+01 Gb(Abramov) 0.1220898E-01 Vb(Abramov) -0.9000364E-02 Hb(Abramov) 0.3208619E-02 Ex_ueg -0.2140330E-02 Ec_ueg -0.4822485E-03 Delta_ex -0.3054989E-02 Delta_ec 0.7850867E-03 Delta_et -0.5956240E-02 Pxc 0.4438230E+01 Qxc -0.3891276E+01 3,+1 119 3 -1 2.321503 3.232606 -2.212898 Rho 0.2168323E+00 |GRAD(Rho)| 0.5418687E-15 GRAD(Rho)x 0.2992398E-15 GRAD(Rho)y 0.4485886E-15 GRAD(Rho)z -0.5334275E-16 Laplacian 0.7683687E+00 (-1/4)Del**2(Rho)) -0.1920922E+00 Diamond 0.2425810E+01 Metallicity 0.7018592E+01 Ellipticity 0.1069984E-02 Gb(Abramov) 0.3527642E+00 Vb(Abramov) -0.5134363E+00 Hb(Abramov) -0.1606721E+00 Ex_ueg -0.9620928E-01 Ec_ueg -0.1285232E-01 Delta_ex -0.9054593E-01 Delta_ec 0.1770623E-01 Delta_et -0.2449626E+00 Pxc 0.7485754E+01 Qxc -0.5113791E+01 3,-1 120 3 -1 2.352252 3.193094 2.219414 Rho 0.2284462E+00 |GRAD(Rho)| 0.1042359E-14 GRAD(Rho)x 0.9161508E-15 GRAD(Rho)y 0.4147615E-15 GRAD(Rho)z 0.2741405E-15 Laplacian 0.8256423E+00 (-1/4)Del**2(Rho)) -0.2064106E+00 Diamond 0.2766153E+01 Metallicity 0.7125157E+01 Ellipticity 0.4357881E-02 Gb(Abramov) 0.3827250E+00 Vb(Abramov) -0.5590394E+00 Hb(Abramov) -0.1763144E+00 Ex_ueg -0.1031407E+00 Ec_ueg -0.1364409E-01 Delta_ex -0.9856270E-01 Delta_ec 0.1865113E-01 Delta_et -0.2584406E+00 Pxc 0.7559372E+01 Qxc -0.5284543E+01 3,-1 121 3 -1 2.724746 -1.956062 1.502958 Rho 0.8452213E-01 |GRAD(Rho)| 0.6422693E-16 GRAD(Rho)x -0.2415060E-16 GRAD(Rho)y 0.5575340E-16 GRAD(Rho)z -0.2081838E-16 Laplacian 0.3407301E+00 (-1/4)Del**2(Rho)) -0.8518253E-01 Diamond 0.3430083E+00 Metallicity 0.3292203E+01 Ellipticity 0.1337130E-01 Gb(Abramov) 0.1035281E+00 Vb(Abramov) -0.1218736E+00 Hb(Abramov) -0.1834553E-01 Ex_ueg -0.2739548E-01 Ec_ueg -0.4397425E-02 Delta_ex -0.3188326E-01 Delta_ec 0.9742381E-02 Delta_et -0.1167532E+00 Pxc 0.6229892E+01 Qxc -0.3272636E+01 3,-1 122 3 +1 3.006480 -2.000742 -0.022877 Rho 0.1168436E-01 |GRAD(Rho)| 0.1239359E-16 GRAD(Rho)x -0.2721851E-17 GRAD(Rho)y 0.4983127E-17 GRAD(Rho)z -0.1101639E-16 Laplacian 0.5396776E-01 (-1/4)Del**2(Rho)) -0.1349194E-01 Diamond 0.1815019E-02 Metallicity 0.7682222E+00 Ellipticity -0.1204567E+01 Gb(Abramov) 0.1072209E-01 Vb(Abramov) -0.7952249E-02 Hb(Abramov) 0.2769845E-02 Ex_ueg -0.1958205E-02 Ec_ueg -0.4450175E-03 Delta_ex -0.2553378E-02 Delta_ec 0.5562261E-03 Delta_et -0.4256052E-02 Pxc 0.4400288E+01 Qxc -0.4590541E+01 3,+1 123 3 +3 2.711403 -1.825056 -0.025482 Rho 0.1124294E-01 |GRAD(Rho)| 0.2164606E-16 GRAD(Rho)x 0.6238408E-17 GRAD(Rho)y 0.1524826E-16 GRAD(Rho)z -0.1404011E-16 Laplacian 0.5076541E-01 (-1/4)Del**2(Rho)) -0.1269135E-01 Diamond 0.1005670E-02 Metallicity 0.7659111E+00 Ellipticity -0.5764615E+00 Gb(Abramov) 0.1008098E-01 Vb(Abramov) -0.7470599E-02 Hb(Abramov) 0.2610376E-02 Ex_ueg -0.1860194E-02 Ec_ueg -0.4247341E-03 Delta_ex -0.2183520E-02 Delta_ec 0.1779374E-03 Delta_et -0.1695058E-02 Pxc 0.4379666E+01 Qxc -0.1227129E+02 3,+3 124 3 -1 2.365962 -3.160355 2.314030 Rho 0.2236618E+00 |GRAD(Rho)| 0.1480178E-10 GRAD(Rho)x 0.8196262E-11 GRAD(Rho)y -0.8214006E-11 GRAD(Rho)z 0.9189351E-11 Laplacian 0.8362397E+00 (-1/4)Del**2(Rho)) -0.2090599E+00 Diamond 0.2715095E+01 Metallicity 0.6791027E+01 Ellipticity 0.1960953E-01 Gb(Abramov) 0.3759952E+00 Vb(Abramov) -0.5429305E+00 Hb(Abramov) -0.1669353E+00 Ex_ueg -0.1002707E+00 Ec_ueg -0.1331702E-01 Delta_ex -0.9918763E-01 Delta_ec 0.1883735E-01 Delta_et -0.2600549E+00 Pxc 0.7529518E+01 Qxc -0.5265477E+01 3,-1 125 3 -1 1.489453 -1.866834 0.842069 Rho 0.5395307E-01 |GRAD(Rho)| 0.6506546E-16 GRAD(Rho)x -0.1834822E-16 GRAD(Rho)y 0.1913363E-16 GRAD(Rho)z -0.5942021E-16 Laplacian 0.2059303E+00 (-1/4)Del**2(Rho)) -0.5148259E-01 Diamond 0.1148409E+00 Metallicity 0.2577823E+01 Ellipticity 0.1826182E-01 Gb(Abramov) 0.5644055E-01 Vb(Abramov) -0.6139852E-01 Hb(Abramov) -0.4957968E-02 Ex_ueg -0.1505705E-01 Ec_ueg -0.2634522E-02 Delta_ex -0.1724332E-01 Delta_ec 0.6067874E-02 Delta_et -0.6523777E-01 Pxc 0.5715287E+01 Qxc -0.2841739E+01 3,-1 126 3 -1 3.615323 -0.810587 -0.755053 Rho 0.1757507E+00 |GRAD(Rho)| 0.4380209E-15 GRAD(Rho)x 0.2594733E-15 GRAD(Rho)y -0.2787755E-15 GRAD(Rho)z -0.2163796E-15 Laplacian 0.6721070E+00 (-1/4)Del**2(Rho)) -0.1680268E+00 Diamond 0.1636460E+01 Metallicity 0.5653747E+01 Ellipticity 0.4929814E-01 Gb(Abramov) 0.2703480E+00 Vb(Abramov) -0.3726692E+00 Hb(Abramov) -0.1023212E+00 Ex_ueg -0.7270780E-01 Ec_ueg -0.1011183E-01 Delta_ex -0.7498600E-01 Delta_ec 0.1622023E-01 Delta_et -0.2197783E+00 Pxc 0.7190369E+01 Qxc -0.4622994E+01 3,-1 127 3 -1 3.605194 -0.789218 0.677425 Rho 0.1666965E+00 |GRAD(Rho)| 0.1334296E-14 GRAD(Rho)x 0.6127470E-15 GRAD(Rho)y -0.1180046E-14 GRAD(Rho)z -0.1112662E-15 Laplacian 0.6381856E+00 (-1/4)Del**2(Rho)) -0.1595464E+00 Diamond 0.1458204E+01 Metallicity 0.5451848E+01 Ellipticity 0.4114454E-01 Gb(Abramov) 0.2513347E+00 Vb(Abramov) -0.3431230E+00 Hb(Abramov) -0.9178831E-01 Ex_ueg -0.6775694E-01 Ec_ueg -0.9520763E-02 Delta_ex -0.7026390E-01 Delta_ec 0.1561443E-01 Delta_et -0.2103167E+00 Pxc 0.7116755E+01 Qxc -0.4499935E+01 3,-1 128 3 -1 4.631657 0.071856 -0.052428 Rho 0.2164555E+00 |GRAD(Rho)| 0.3362295E-13 GRAD(Rho)x -0.2945859E-13 GRAD(Rho)y -0.1614960E-14 GRAD(Rho)z 0.1612718E-13 Laplacian 0.7656405E+00 (-1/4)Del**2(Rho)) -0.1914101E+00 Diamond 0.2412833E+01 Metallicity 0.7023215E+01 Ellipticity 0.3428967E-02 Gb(Abramov) 0.3516592E+00 Vb(Abramov) -0.5119082E+00 Hb(Abramov) -0.1602490E+00 Ex_ueg -0.9598644E-01 Ec_ueg -0.1282675E-01 Delta_ex -0.9018823E-01 Delta_ec 0.1765949E-01 Delta_et -0.2443169E+00 Pxc 0.7483299E+01 Qxc -0.5107070E+01 3,-1 129 3 -1 -3.080954 1.194695 0.571140 Rho 0.3153987E+00 |GRAD(Rho)| 0.1325942E-14 GRAD(Rho)x 0.6979897E-15 GRAD(Rho)y -0.1060722E-14 GRAD(Rho)z -0.3818386E-15 Laplacian -0.1579882E+01 (-1/4)Del**2(Rho)) 0.3949704E+00 Diamond 0.5470197E+01 Metallicity -0.6374141E+01 Ellipticity 0.5579282E-02 Gb(Abramov) 0.1562859E+00 Vb(Abramov) -0.7075423E+00 Hb(Abramov) -0.5512564E+00 Ex_ueg -0.1585617E+00 Ec_ueg -0.1980722E-01 Delta_ex 0.1562739E+00 Delta_ec 0.5541175E-01 Delta_et -0.1306501E+01 Pxc 0.8005247E+01 Qxc 0.2820231E+01 3,-1 130 3 -1 -2.504139 1.858759 -1.613724 Rho 0.2113961E+00 |GRAD(Rho)| 0.2876363E-14 GRAD(Rho)x -0.2627076E-14 GRAD(Rho)y -0.2547875E-16 GRAD(Rho)z 0.1171020E-14 Laplacian 0.8211080E+00 (-1/4)Del**2(Rho)) -0.2052770E+00 Diamond 0.2472657E+01 Metallicity 0.6295658E+01 Ellipticity 0.1625745E-01 Gb(Abramov) 0.3522436E+00 Vb(Abramov) -0.4992103E+00 Hb(Abramov) -0.1469666E+00 Ex_ueg -0.9300672E-01 Ec_ueg -0.1248426E-01 Delta_ex -0.9586815E-01 Delta_ec 0.1858712E-01 Delta_et -0.2549692E+00 Pxc 0.7449917E+01 Qxc -0.5157772E+01 3,-1 131 3 -1 -2.409987 1.913968 1.582250 Rho 0.1367101E+00 |GRAD(Rho)| 0.5029509E-13 GRAD(Rho)x 0.9001385E-14 GRAD(Rho)y -0.4439859E-13 GRAD(Rho)z -0.2184803E-13 Laplacian 0.5198540E+00 (-1/4)Del**2(Rho)) -0.1299635E+00 Diamond 0.9556859E+00 Metallicity 0.4809126E+01 Ellipticity 0.1107649E+00 Gb(Abramov) 0.1908108E+00 Vb(Abramov) -0.2516581E+00 Hb(Abramov) -0.6084731E-01 Ex_ueg -0.5201388E-01 Ec_ueg -0.7598276E-02 Delta_ex -0.5472629E-01 Delta_ec 0.1376095E-01 Delta_et -0.1812442E+00 Pxc 0.6845484E+01 Qxc -0.3976927E+01 3,-1 132 3 -1 -2.297307 3.222065 -2.218604 Rho 0.2253567E+00 |GRAD(Rho)| 0.1466932E-13 GRAD(Rho)x 0.6447750E-14 GRAD(Rho)y 0.1231415E-13 GRAD(Rho)z -0.4687982E-14 Laplacian 0.8393400E+00 (-1/4)Del**2(Rho)) -0.2098350E+00 Diamond 0.2750225E+01 Metallicity 0.6851610E+01 Ellipticity 0.1358737E-01 Gb(Abramov) 0.3795080E+00 Vb(Abramov) -0.5491809E+00 Hb(Abramov) -0.1696729E+00 Ex_ueg -0.1012851E+00 Ec_ueg -0.1343274E-01 Delta_ex -0.9975155E-01 Delta_ec 0.1886825E-01 Delta_et -0.2605903E+00 Pxc 0.7540169E+01 Qxc -0.5286740E+01 3,-1 133 3 -1 -0.255881 0.243070 -0.666625 Rho 0.1606382E+00 |GRAD(Rho)| 0.3096008E-15 GRAD(Rho)x -0.2450297E-16 GRAD(Rho)y -0.3070461E-15 GRAD(Rho)z -0.3122502E-16 Laplacian 0.3798388E+00 (-1/4)Del**2(Rho)) -0.9495969E-01 Diamond 0.8562808E+00 Metallicity 0.8611827E+01 Ellipticity 0.4708723E-02 Gb(Abramov) 0.1996025E+00 Vb(Abramov) -0.3042454E+00 Hb(Abramov) -0.1046428E+00 Ex_ueg -0.6449363E-01 Ec_ueg -0.9127954E-02 Delta_ex -0.4167364E-01 Delta_ec 0.9806058E-02 Delta_et -0.1325816E+00 Pxc 0.7065508E+01 Qxc -0.4249785E+01 3,-1 134 3 -1 0.030591 -0.050183 -4.490967 Rho 0.2227134E+00 |GRAD(Rho)| 0.8736275E-14 GRAD(Rho)x -0.2661093E-14 GRAD(Rho)y 0.2548383E-14 GRAD(Rho)z 0.7921289E-14 Laplacian 0.8356161E+00 (-1/4)Del**2(Rho)) -0.2089040E+00 Diamond 0.2696308E+01 Metallicity 0.6748133E+01 Ellipticity 0.2070605E-01 Gb(Abramov) 0.3742214E+00 Vb(Abramov) -0.5395388E+00 Hb(Abramov) -0.1653174E+00 Ex_ueg -0.9970423E-01 Ec_ueg -0.1325233E-01 Delta_ex -0.9898740E-01 Delta_ec 0.1881551E-01 Delta_et -0.2595719E+00 Pxc 0.7523523E+01 Qxc -0.5260946E+01 3,-1 135 3 -1 -0.004962 -0.076474 4.497365 Rho 0.2126322E+00 |GRAD(Rho)| 0.1474854E-15 GRAD(Rho)x -0.4681043E-16 GRAD(Rho)y 0.3022214E-16 GRAD(Rho)z -0.1365553E-15 Laplacian 0.7896700E+00 (-1/4)Del**2(Rho)) -0.1974175E+00 Diamond 0.2416999E+01 Metallicity 0.6610219E+01 Ellipticity 0.1861360E-01 Gb(Abramov) 0.3491072E+00 Vb(Abramov) -0.5007969E+00 Hb(Abramov) -0.1516897E+00 Ex_ueg -0.9373255E-01 Ec_ueg -0.1256781E-01 Delta_ex -0.9247578E-01 Delta_ec 0.1809493E-01 Delta_et -0.2492570E+00 Pxc 0.7458146E+01 Qxc -0.5110589E+01 3,-1 136 3 -1 1.542087 -1.854240 2.343797 Rho 0.1353518E+00 |GRAD(Rho)| 0.3082690E-15 GRAD(Rho)x 0.2788839E-15 GRAD(Rho)y -0.1270549E-15 GRAD(Rho)z -0.3332566E-16 Laplacian 0.5572848E+00 (-1/4)Del**2(Rho)) -0.1393212E+00 Diamond 0.1005975E+01 Metallicity 0.4412072E+01 Ellipticity 0.2628784E-02 Gb(Abramov) 0.1953300E+00 Vb(Abramov) -0.2513388E+00 Hb(Abramov) -0.5600880E-01 Ex_ueg -0.5132596E-01 Ec_ueg -0.7512518E-02 Delta_ex -0.5845334E-01 Delta_ec 0.1465849E-01 Delta_et -0.1925084E+00 Pxc 0.6832058E+01 Qxc -0.3987677E+01 3,-1 137 3 -1 1.469079 -1.877599 -2.305231 Rho 0.1402542E+00 |GRAD(Rho)| 0.2575469E-15 GRAD(Rho)x 0.2270726E-16 GRAD(Rho)y -0.2099829E-15 GRAD(Rho)z 0.1473837E-15 Laplacian 0.5822192E+00 (-1/4)Del**2(Rho)) -0.1455548E+00 Diamond 0.1095367E+01 Metallicity 0.4481117E+01 Ellipticity 0.2107872E-02 Gb(Abramov) 0.2057446E+00 Vb(Abramov) -0.2659343E+00 Hb(Abramov) -0.6018975E-01 Ex_ueg -0.5381947E-01 Ec_ueg -0.7822590E-02 Delta_ex -0.6158128E-01 Delta_ec 0.1515396E-01 Delta_et -0.2000597E+00 Pxc 0.6880007E+01 Qxc -0.4063708E+01 3,-1 138 3 -1 1.457211 -1.881088 -0.836887 Rho 0.5647678E-01 |GRAD(Rho)| 0.2698153E-15 GRAD(Rho)x -0.5227739E-16 GRAD(Rho)y 0.2042781E-15 GRAD(Rho)z 0.1683385E-15 Laplacian 0.2157464E+00 (-1/4)Del**2(Rho)) -0.5393661E-01 Diamond 0.1279689E+00 Metallicity 0.2655335E+01 Ellipticity 0.1944250E-01 Gb(Abramov) 0.5982770E-01 Vb(Abramov) -0.6571880E-01 Hb(Abramov) -0.5891093E-02 Ex_ueg -0.1600338E-01 Ec_ueg -0.2775895E-02 Delta_ex -0.1827408E-01 Delta_ec 0.6350805E-02 Delta_et -0.6908185E-01 Pxc 0.5765123E+01 Qxc -0.2877443E+01 3,-1 139 3 -1 1.559691 1.997393 -2.684683 Rho 0.1693571E+00 |GRAD(Rho)| 0.4240765E-13 GRAD(Rho)x 0.2407204E-13 GRAD(Rho)y -0.2631220E-13 GRAD(Rho)z -0.2294806E-13 Laplacian 0.6462013E+00 (-1/4)Del**2(Rho)) -0.1615503E+00 Diamond 0.1504738E+01 Metallicity 0.5528206E+01 Ellipticity 0.4818681E-01 Gb(Abramov) 0.2565475E+00 Vb(Abramov) -0.3515446E+00 Hb(Abramov) -0.9499714E-01 Ex_ueg -0.6920267E-01 Ec_ueg -0.9693952E-02 Delta_ex -0.7142747E-01 Delta_ec 0.1574402E-01 Delta_et -0.2124462E+00 Pxc 0.7138747E+01 Qxc -0.4536798E+01 3,-1 140 3 -1 1.525738 1.990023 2.696931 Rho 0.1673425E+00 |GRAD(Rho)| 0.2513305E-15 GRAD(Rho)x -0.3211949E-16 GRAD(Rho)y 0.1444835E-15 GRAD(Rho)z -0.2031253E-15 Laplacian 0.6481650E+00 (-1/4)Del**2(Rho)) -0.1620413E+00 Diamond 0.1496341E+01 Metallicity 0.5402626E+01 Ellipticity 0.3575872E-01 Gb(Abramov) 0.2539355E+00 Vb(Abramov) -0.3458298E+00 Hb(Abramov) -0.9189429E-01 Ex_ueg -0.6810728E-01 Ec_ueg -0.9562778E-02 Delta_ex -0.7150426E-01 Delta_ec 0.1597249E-01 Delta_et -0.2155902E+00 Pxc 0.7122123E+01 Qxc -0.4476713E+01 3,-1 141 3 -1 2.291474 -3.185161 -2.308058 Rho 0.2232128E+00 |GRAD(Rho)| 0.1283754E-12 GRAD(Rho)x -0.1090256E-12 GRAD(Rho)y 0.2705442E-13 GRAD(Rho)z 0.6214267E-13 Laplacian 0.8352312E+00 (-1/4)Del**2(Rho)) -0.2088078E+00 Diamond 0.2703475E+01 Metallicity 0.6776490E+01 Ellipticity 0.1982684E-01 Gb(Abramov) 0.3750359E+00 Vb(Abramov) -0.5412639E+00 Hb(Abramov) -0.1662281E+00 Ex_ueg -0.1000024E+00 Ec_ueg -0.1328638E-01 Delta_ex -0.9900591E-01 Delta_ec 0.1880668E-01 Delta_et -0.2595284E+00 Pxc 0.7526683E+01 Qxc -0.5264402E+01 3,-1 142 3 -1 2.094050 -3.039728 -0.790624 Rho 0.1360639E+00 |GRAD(Rho)| 0.3830430E-12 GRAD(Rho)x -0.1087294E-12 GRAD(Rho)y 0.1065903E-12 GRAD(Rho)z -0.3514802E-12 Laplacian 0.5223910E+00 (-1/4)Del**2(Rho)) -0.1305978E+00 Diamond 0.9526919E+00 Metallicity 0.4748128E+01 Ellipticity 0.4317669E-01 Gb(Abramov) 0.1904143E+00 Vb(Abramov) -0.2502309E+00 Hb(Abramov) -0.5981656E-01 Ex_ueg -0.5168633E-01 Ec_ueg -0.7557464E-02 Delta_ex -0.5490540E-01 Delta_ec 0.1379912E-01 Delta_et -0.1815224E+00 Pxc 0.6839110E+01 Qxc -0.3978906E+01 3,-1 143 3 -1 2.125082 -3.026434 0.801385 Rho 0.1353992E+00 |GRAD(Rho)| 0.5878203E-13 GRAD(Rho)x -0.5032972E-13 GRAD(Rho)y -0.9420328E-14 GRAD(Rho)z 0.2887047E-13 Laplacian 0.5191810E+00 (-1/4)Del**2(Rho)) -0.1297953E+00 Diamond 0.9416366E+00 Metallicity 0.4738650E+01 Ellipticity 0.4093336E-01 Gb(Abramov) 0.1890392E+00 Vb(Abramov) -0.2482832E+00 Hb(Abramov) -0.5924397E-01 Ex_ueg -0.5134994E-01 Ec_ueg -0.7515511E-02 Delta_ex -0.5450750E-01 Delta_ec 0.1373764E-01 Delta_et -0.1805868E+00 Pxc 0.6832528E+01 Qxc -0.3967749E+01 3,-1 144 3 -1 3.315772 0.581531 -0.664827 Rho 0.1310910E+00 |GRAD(Rho)| 0.3047228E-15 GRAD(Rho)x -0.6097282E-16 GRAD(Rho)y 0.2614960E-15 GRAD(Rho)z -0.1440769E-15 Laplacian 0.5466391E+00 (-1/4)Del**2(Rho)) -0.1366598E+00 Diamond 0.9299305E+00 Metallicity 0.4264492E+01 Ellipticity 0.1448462E-01 Gb(Abramov) 0.1882372E+00 Vb(Abramov) -0.2398147E+00 Hb(Abramov) -0.5157748E-01 Ex_ueg -0.4918306E-01 Ec_ueg -0.7244290E-02 Delta_ex -0.5666186E-01 Delta_ec 0.1407116E-01 Delta_et -0.1830665E+00 Pxc 0.6789217E+01 Qxc -0.4026808E+01 3,-1 145 3 -1 3.353108 0.574821 0.679103 Rho 0.9441765E-01 |GRAD(Rho)| 0.1552554E-15 GRAD(Rho)x 0.1177884E-15 GRAD(Rho)y 0.9362763E-16 GRAD(Rho)z 0.3826217E-16 Laplacian 0.3912618E+00 (-1/4)Del**2(Rho)) -0.9781545E-01 Diamond 0.4513662E+00 Metallicity 0.3448004E+01 Ellipticity 0.7778436E-02 Gb(Abramov) 0.1214216E+00 Vb(Abramov) -0.1450278E+00 Hb(Abramov) -0.2360619E-01 Ex_ueg -0.3175333E-01 Ec_ueg -0.4988153E-02 Delta_ex -0.3757574E-01 Delta_ec 0.1096052E-01 Delta_et -0.1344840E+00 Pxc 0.6365750E+01 Qxc -0.3428280E+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 64 125 136 111 121 143 124 141 67 130 69 64 51 132 100 117 115 140 107 120 138 137 110 93 142 119 99 116 114 139 106 57 74 131 70 68 75 89 82 104 77 95 135 112 144 145 126 127 128 90 102 80 134 96 76 103 66 54 53 71 133 88 129 48 60 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 19 23 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 23 36 36 36 45 45 27 2.345572 1.953569 1.765134 2.154121 1.966526 1.770170 1.771032 2.384895 1.792260 1.940387 1.961728 2.093953 1.767208 2.586978 1.858703 1.911231 1.884146 2.028964 1.762371 2.327170 1.938315 1.761535 2.204372 1.964437 1.756303 2.659576 1.960013 1.997525 1.853762 1.884382 1.758860 2.419478 1.968725 1.959207 1.898051 1.901969 2.368000 1.755315 1.935599 2.059569 2.123393 1.763193 2.714579 1.943334 2.076315 1.838009 1.859353 1.756989 2.310176 1.944769 1.763003 1.771860 2.182530 1.972549 1.769705 3.209091 3.180661 3.252001 1.645916 1.764339 1.761570 1.000179 1.771054 3.218047 2.347151 1.953990 1.765172 2.154652 1.967042 1.770185 1.771048 2.386552 1.792345 1.940763 1.962269 2.094417 1.767224 2.588773 1.859132 1.911767 1.884602 2.029421 1.762382 2.328625 1.938684 1.761557 2.204839 1.964973 1.756330 2.661314 1.960707 1.998315 1.854275 1.884967 1.758870 2.421134 1.969804 1.959735 1.898571 1.902465 2.369479 1.755475 1.936093 2.060241 2.124061 1.763226 2.716733 1.944046 2.076917 1.838424 1.859933 1.757024 2.311608 1.945133 1.763029 1.771877 2.183006 1.973079 1.769737 3.273280 3.231818 3.331245 1.645927 1.764370 1.761594 1.000251 1.775743 3.223324 27 26 24 27 24 23 23 31 23 28 26 29 23 31 23 26 25 27 24 27 24 24 26 25 23 31 27 26 23 26 25 27 25 27 28 26 27 23 26 25 27 24 31 24 25 22 23 25 27 26 23 23 26 24 25 36 36 37 22 23 24 19 26 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 W O W W W Mo W O O 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 As O O O O O O O O H 2.3255 -0.8794 2.3434 2.4065 2.3289 2.2236 2.3984 -0.8116 -0.8533 2.1821 2.2046 2.3353 -1.0839 -0.9106 -1.0859 -1.0724 -0.7466 -0.9926 -0.8307 -0.9296 -0.8321 -0.9430 -0.8816 -0.9616 -0.9835 -0.8295 -0.9463 -0.8306 -0.9151 -0.8801 -0.9233 -0.9635 -0.9321 -1.0119 -0.9761 2.1731 -0.8032 -0.9877 -1.0110 -0.9454 -0.8762 -0.8118 -0.8733 -0.8726 0.2668 2.1380 1.9500 2.1307 2.1010 2.1396 1.9948 2.1158 1.9618 1.9532 2.0152 1.9967 2.1376 1.9314 1.9542 1.9315 1.9333 1.9666 1.9279 1.8713 1.9327 1.9532 1.9339 1.9513 1.9323 1.9274 1.9534 1.9314 1.9534 1.9472 1.9496 1.9457 1.9389 1.9440 1.9366 1.9381 0.8912 1.9602 1.9368 1.9368 1.9411 1.9501 1.9621 1.9508 1.9526 0.5783 6.1145 4.8991 6.1191 6.0984 6.1141 6.1020 6.1142 4.8207 4.8681 6.1119 6.1085 6.1131 5.1207 4.9244 5.1219 5.1075 4.7501 5.0362 4.9298 4.9726 4.8471 4.9808 4.8987 5.0026 5.0269 4.8445 4.9881 4.8452 4.9403 4.9003 4.9509 4.9961 4.9615 5.0450 5.0112 1.3910 4.8151 5.0201 5.0433 4.9777 4.8956 4.8207 4.8916 4.8883 0.1549 3.3930 0.0304 3.3775 3.3643 3.3884 3.6796 3.3421 0.0291 0.0320 3.6908 3.6902 3.3849 0.0318 0.0321 0.0324 0.0316 0.0299 0.0286 0.0296 0.0242 0.0318 0.0284 0.0316 0.0267 0.0292 0.0317 0.0268 0.0320 0.0276 0.0302 0.0267 0.0284 0.0266 0.0303 0.0268 10.5448 0.0279 0.0308 0.0309 0.0267 0.0305 0.0290 0.0309 0.0317 0.0000 14.0290 0.0000 14.0293 14.0297 14.0289 0.0000 14.0295 0.0000 0.0000 0.0000 0.0000 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 W O W W W Mo W O O 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 As O O O O O O O O H 2.475016 -0.936888 2.478883 2.487360 2.474268 3.161886 2.502548 -1.095103 -0.908558 3.145352 3.153123 2.477341 -1.106515 -1.004013 -1.108836 -1.133905 -1.039409 -0.997625 -0.680528 -1.230454 -0.900082 -1.071803 -0.868213 -1.116699 -0.989620 -0.899020 -1.099670 -0.898239 -1.127176 -0.938987 -1.127328 -1.072562 -1.130628 -0.999156 -1.085241 2.273560 -1.089079 -0.990725 -0.997155 -1.128696 -0.933638 -1.095088 -0.931194 -0.925501 0.027996 1.945758 -0.859165 1.924266 1.931836 1.943004 2.346273 1.948336 -0.899712 -0.815023 2.345768 2.344972 1.942542 -0.751198 -0.852333 -0.750106 -0.781138 -0.840347 -0.714926 -0.846531 -0.943627 -0.813038 -0.850366 -0.782567 -0.831308 -0.729723 -0.809128 -0.842498 -0.808733 -0.929755 -0.861638 -0.934216 -0.884085 -0.929711 -0.823055 -0.921297 1.764402 -0.903797 -0.817406 -0.818602 -0.933348 -0.853120 -0.896947 -0.850396 -0.841722 0.283408 2.034782 -0.832103 2.029044 2.040379 2.029298 2.446136 2.055245 -0.867639 -0.796286 2.434270 2.437253 2.027082 -0.826184 -0.788769 -0.816179 -0.847459 -0.843723 -0.805856 -0.855493 -1.045932 -0.815233 -0.926796 -0.825582 -0.921395 -0.832315 -0.818634 -0.934188 -0.812829 -0.942130 -0.835213 -0.953190 -0.932212 -0.945844 -0.884710 -0.953690 1.721342 -0.887250 -0.855089 -0.889831 -0.954351 -0.824649 -0.866930 -0.821314 -0.805946 0.310116 -20.70574680 -10.77128966 1.88787215 23.41607765 41.96765044 59.82715242 -3.76387509 -3.33979263 -1.43573380 -38.62785782 -296.8888 354.9807 -26.9220 -344.6056 -79.7411 -393.1768 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:15 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -14.29738398 -14.42525927 -14.44037541 -14.44332682 -14.44464759 -14.44527414 -14.44581060 -14.44655348 -14.44718513 -14.44749919 -14.44783127 -14.44801984 -14.44848004 -14.44858128 -14.44869362 -14.44892049 -14.44894011 -14.44899630 -14.44898210 -14.44897117 -14.44898317 GEOMETRY CONVERGED