ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar19-2024 08:19:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.03 0.37 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 Mar19-2024 08:19:35 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar19-2024 08:19:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.64 0.02 0.70 1 2 3 4 5 1 2 3 4 1 2 3 2.000 2.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 -70.348 -4.706 1.094 14.838 117.594 -43.980 -0.956 23.495 177.742 -5.162 7.884 88.247 S S S S S P P P P D D D S P D S P S D S P D S P 1 1 1 2 2 3 2 4 3 3 5 4 2.00 6.00 3.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -70.3477 -43.9800 -5.1622 -4.7064 -0.9562 1.0935 7.8841 14.8384 23.4949 88.2471 117.5944 177.7416 1 V -0.0000 4.0000 6.0000 3.0000 0.0000 Mar19-2024 08:19:35 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 0 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar19-2024 08:19:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 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 Mar19-2024 08:19:35 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 0 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar19-2024 08:19:38 Hydrogen (TZP) kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 kimik2222 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.27 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 Mar19-2024 08:19:35 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 0 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar19-2024 08:19:38 Nodes: 1 Procs: 1 Mar19-2024 08:19:39 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar19-2024 08:19:41 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2697.1581000000056 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3,-3 48 3 -3 -3.895818 -3.641354 0.290206 Rho 0.3193525E+03 3,-3 49 3 -3 -3.906810 0.365228 -3.603434 Rho 0.3192857E+03 3,-3 50 3 -3 -3.740188 -0.205678 3.800532 Rho 0.3193454E+03 3,-3 51 3 -3 3.723836 0.198909 3.761180 Rho 0.3193374E+03 3,-3 52 3 -3 1.145918 -1.935135 -2.422583 Rho 0.4284199E+00 3,-3 53 3 -3 -0.640420 -3.426870 -1.297552 Rho 0.4408078E+00 3,-3 54 3 +1 -2.896791 0.213021 0.258192 Rho 0.6244963E-02 |GRAD(Rho)| 0.2171899E-12 GRAD(Rho)x -0.6431848E-13 GRAD(Rho)y 0.1484117E-12 GRAD(Rho)z 0.1449433E-12 Laplacian 0.2617483E-01 (-1/4)Del**2(Rho)) -0.6543707E-02 Diamond 0.7502204E-03 Metallicity 0.5575440E+00 Ellipticity -0.2550117E+01 Gb(Abramov) 0.4970538E-02 Vb(Abramov) -0.3397370E-02 Hb(Abramov) 0.1573168E-02 Ex_ueg -0.8493595E-03 Ec_ueg -0.2008759E-03 Delta_ex -0.1309012E-02 Delta_ec 0.7342540E-03 Delta_et -0.4297552E-02 Pxc 0.4228280E+01 Qxc -0.1782779E+01 3,+1 55 3 +1 -0.218046 2.928912 0.237500 Rho 0.5995984E-02 |GRAD(Rho)| 0.3961650E-16 GRAD(Rho)x -0.3653380E-16 GRAD(Rho)y -0.2351203E-17 GRAD(Rho)z 0.1514004E-16 Laplacian 0.2509583E-01 (-1/4)Del**2(Rho)) -0.6273959E-02 Diamond 0.6348852E-03 Metallicity 0.5433909E+00 Ellipticity -0.1914489E+01 Gb(Abramov) 0.4750841E-02 Vb(Abramov) -0.3227724E-02 Hb(Abramov) 0.1523118E-02 Ex_ueg -0.8045117E-03 Ec_ueg -0.1900227E-03 Delta_ex -0.1210996E-02 Delta_ec 0.6440766E-03 Delta_et -0.3751273E-02 Pxc 0.4233767E+01 Qxc -0.1880205E+01 3,+1 56 3 -1 -2.774094 0.483433 -1.828595 Rho 0.7665833E-01 |GRAD(Rho)| 0.2186854E-15 GRAD(Rho)x -0.2178039E-15 GRAD(Rho)y -0.2337811E-18 GRAD(Rho)z -0.1961389E-16 Laplacian 0.3235040E+00 (-1/4)Del**2(Rho)) -0.8087600E-01 Diamond 0.2915313E+00 Metallicity 0.2946676E+01 Ellipticity 0.9863162E-02 Gb(Abramov) 0.9363657E-01 Vb(Abramov) -0.1063971E+00 Hb(Abramov) -0.1276057E-01 Ex_ueg -0.2405087E-01 Ec_ueg -0.3934350E-02 Delta_ex -0.2966218E-01 Delta_ec 0.9535190E-02 Delta_et -0.1118975E+00 Pxc 0.6113048E+01 Qxc -0.3110812E+01 3,-1 57 3 -1 -2.181378 -0.890926 -3.269487 Rho 0.2353383E+00 |GRAD(Rho)| 0.1191368E-14 GRAD(Rho)x -0.6054185E-15 GRAD(Rho)y 0.9542063E-15 GRAD(Rho)z 0.3772481E-15 Laplacian 0.9032262E+00 (-1/4)Del**2(Rho)) -0.2258066E+00 Diamond 0.3075132E+01 Metallicity 0.6843908E+01 Ellipticity 0.2397515E-01 Gb(Abramov) 0.4081043E+00 Vb(Abramov) -0.5904020E+00 Hb(Abramov) -0.1822977E+00 Ex_ueg -0.1073104E+00 Ec_ueg -0.1411746E-01 Delta_ex -0.1083263E+00 Delta_ec 0.1963190E-01 Delta_et -0.2698586E+00 Pxc 0.7601256E+01 Qxc -0.5517874E+01 3,-1 58 3 +1 -2.275309 -1.181607 -1.373646 Rho 0.3177485E-01 |GRAD(Rho)| 0.3437750E-16 GRAD(Rho)x -0.3193840E-16 GRAD(Rho)y 0.8558569E-17 GRAD(Rho)z -0.9407538E-17 Laplacian 0.1280064E+00 (-1/4)Del**2(Rho)) -0.3200161E-01 Diamond 0.2363494E-01 Metallicity 0.1716013E+01 Ellipticity -0.5503507E+01 Gb(Abramov) 0.3048693E-01 Vb(Abramov) -0.2897226E-01 Hb(Abramov) 0.1514673E-02 Ex_ueg -0.7432982E-02 Ec_ueg -0.1435514E-02 Delta_ex -0.8518683E-02 Delta_ec 0.2219789E-02 Delta_et -0.2075067E-01 Pxc 0.5177923E+01 Qxc -0.3837609E+01 3,+1 59 3 +1 -1.716773 -0.482962 0.505235 Rho 0.9336577E-02 |GRAD(Rho)| 0.2028156E-16 GRAD(Rho)x -0.1752482E-16 GRAD(Rho)y -0.8849416E-17 GRAD(Rho)z 0.5090185E-17 Laplacian 0.3400118E-01 (-1/4)Del**2(Rho)) -0.8500295E-02 Diamond 0.9047169E-03 Metallicity 0.8390065E+00 Ellipticity -0.1426801E+01 Gb(Abramov) 0.6855497E-02 Vb(Abramov) -0.5210699E-02 Hb(Abramov) 0.1644798E-02 Ex_ueg -0.1452007E-02 Ec_ueg -0.3380559E-03 Delta_ex -0.1540409E-02 Delta_ec 0.3969088E-03 Delta_et -0.2835103E-02 Pxc 0.4295168E+01 Qxc -0.3881016E+01 3,+1 60 3 +3 -1.108022 -1.062747 1.103813 Rho 0.5256324E-02 |GRAD(Rho)| 0.9633863E-11 GRAD(Rho)x 0.5428600E-11 GRAD(Rho)y 0.5250334E-11 GRAD(Rho)z -0.5981272E-11 Laplacian 0.1833972E-01 (-1/4)Del**2(Rho)) -0.4584929E-02 Diamond 0.1170622E-03 Metallicity 0.5970685E+00 Ellipticity -0.1845655E+00 Gb(Abramov) 0.3512872E-02 Vb(Abramov) -0.2440815E-02 Hb(Abramov) 0.1072057E-02 Ex_ueg -0.6749858E-03 Ec_ueg -0.1579601E-03 Delta_ex -0.6250404E-03 Delta_ec 0.4962398E-04 Delta_et -0.4857524E-03 Pxc 0.4273141E+01 Qxc -0.1259553E+02 3,+3 61 3 -1 -1.797526 -0.623619 -1.805653 Rho 0.5347064E-01 |GRAD(Rho)| 0.8226714E-15 GRAD(Rho)x -0.5739364E-15 GRAD(Rho)y -0.1214002E-15 GRAD(Rho)z -0.5767557E-15 Laplacian 0.2148614E+00 (-1/4)Del**2(Rho)) -0.5371535E-01 Diamond 0.1203985E+00 Metallicity 0.2433962E+01 Ellipticity 0.1388123E-01 Gb(Abramov) 0.5760042E-01 Vb(Abramov) -0.6148548E-01 Hb(Abramov) -0.3885067E-02 Ex_ueg -0.1487781E-01 Ec_ueg -0.2607597E-02 Delta_ex -0.1803027E-01 Delta_ec 0.6474414E-02 Delta_et -0.6949769E-01 Pxc 0.5705561E+01 Qxc -0.2784850E+01 3,-1 62 3 +3 -2.351253 -0.003784 0.037801 Rho 0.5473822E-02 |GRAD(Rho)| 0.1260908E-15 GRAD(Rho)x -0.5515891E-16 GRAD(Rho)y 0.7705381E-16 GRAD(Rho)z 0.8318109E-16 Laplacian 0.2190005E-01 (-1/4)Del**2(Rho)) -0.5475013E-02 Diamond 0.2419804E-03 Metallicity 0.5349574E+00 Ellipticity -0.4479512E+00 Gb(Abramov) 0.4138158E-02 Vb(Abramov) -0.2801304E-02 Hb(Abramov) 0.1336854E-02 Ex_ueg -0.7124800E-03 Ec_ueg -0.1673600E-03 Delta_ex -0.8325958E-03 Delta_ec 0.1976066E-03 Delta_et -0.1299445E-02 Pxc 0.4257171E+01 Qxc -0.4213400E+01 3,+3 63 3 -1 -1.800285 -0.542606 2.813842 Rho 0.1483894E+00 |GRAD(Rho)| 0.2744717E-15 GRAD(Rho)x 0.2663885E-15 GRAD(Rho)y 0.6395438E-16 GRAD(Rho)z -0.1678480E-16 Laplacian 0.6244209E+00 (-1/4)Del**2(Rho)) -0.1561052E+00 Diamond 0.1242163E+01 Metallicity 0.4589943E+01 Ellipticity 0.1645531E-01 Gb(Abramov) 0.2234892E+00 Vb(Abramov) -0.2908731E+00 Hb(Abramov) -0.6738395E-01 Ex_ueg -0.5802151E-01 Ec_ueg -0.8340494E-02 Delta_ex -0.6680936E-01 Delta_ec 0.1576053E-01 Delta_et -0.2092031E+00 Pxc 0.6956603E+01 Qxc -0.4239030E+01 3,-1 64 3 +1 -0.365759 -1.087915 -2.723436 Rho 0.3395856E-02 |GRAD(Rho)| 0.1407125E-15 GRAD(Rho)x 0.4364725E-16 GRAD(Rho)y 0.3836138E-16 GRAD(Rho)z 0.1281535E-15 Laplacian 0.1346413E-01 (-1/4)Del**2(Rho)) -0.3366032E-02 Diamond 0.1354742E-03 Metallicity 0.3926604E+00 Ellipticity -0.1329136E+01 Gb(Abramov) 0.2464306E-02 Vb(Abramov) -0.1562580E-02 Hb(Abramov) 0.9017260E-03 Ex_ueg -0.3769792E-03 Ec_ueg -0.7854688E-04 Delta_ex -0.5428647E-03 Delta_ec 0.2815294E-03 Delta_et -0.1419637E-02 Pxc 0.4799417E+01 Qxc -0.1928270E+01 3,+1 65 3 +1 0.478935 0.435842 1.652379 Rho 0.8516095E-02 |GRAD(Rho)| 0.1363439E-13 GRAD(Rho)x 0.6996188E-14 GRAD(Rho)y -0.7920957E-14 GRAD(Rho)z -0.8614430E-14 Laplacian 0.3170088E-01 (-1/4)Del**2(Rho)) -0.7925220E-02 Diamond 0.7634431E-03 Metallicity 0.7719858E+00 Ellipticity -0.1395038E+01 Gb(Abramov) 0.6303173E-02 Vb(Abramov) -0.4681126E-02 Hb(Abramov) 0.1622047E-02 Ex_ueg -0.1284416E-02 Ec_ueg -0.3012275E-03 Delta_ex -0.1411008E-02 Delta_ec 0.3860509E-03 Delta_et -0.2680914E-02 Pxc 0.4263939E+01 Qxc -0.3654979E+01 3,+1 66 3 -1 -2.913833 0.069227 0.106313 Rho 0.6286046E-02 |GRAD(Rho)| 0.2398556E-14 GRAD(Rho)x 0.5662085E-15 GRAD(Rho)y 0.1673539E-14 GRAD(Rho)z 0.1622266E-14 Laplacian 0.2530968E-01 (-1/4)Del**2(Rho)) -0.6327419E-02 Diamond 0.9125415E-03 Metallicity 0.5829382E+00 Ellipticity 0.1589533E+01 Gb(Abramov) 0.4833029E-02 Vb(Abramov) -0.3338638E-02 Hb(Abramov) 0.1494391E-02 Ex_ueg -0.8568178E-03 Ec_ueg -0.2026696E-03 Delta_ex -0.1391112E-02 Delta_ec 0.9307420E-03 Delta_et -0.5361174E-02 Pxc 0.4227658E+01 Qxc -0.1494626E+01 3,-1 67 3 +1 -0.515622 -0.522901 1.675980 Rho 0.8620311E-02 |GRAD(Rho)| 0.7344786E-15 GRAD(Rho)x -0.5929300E-15 GRAD(Rho)y 0.2067393E-15 GRAD(Rho)z 0.3809879E-15 Laplacian 0.3191496E-01 (-1/4)Del**2(Rho)) -0.7978740E-02 Diamond 0.7678549E-03 Metallicity 0.7825110E+00 Ellipticity -0.1387216E+01 Gb(Abramov) 0.6359735E-02 Vb(Abramov) -0.4740730E-02 Hb(Abramov) 0.1619005E-02 Ex_ueg -0.1305416E-02 Ec_ueg -0.3058890E-03 Delta_ex -0.1418904E-02 Delta_ec 0.3777375E-03 Delta_et -0.2641317E-02 Pxc 0.4267614E+01 Qxc -0.3756322E+01 3,+1 68 3 +1 -1.740352 1.705863 -1.711974 Rho 0.1171104E-01 |GRAD(Rho)| 0.2384225E-13 GRAD(Rho)x 0.1730253E-13 GRAD(Rho)y 0.3176890E-14 GRAD(Rho)z -0.1609293E-13 Laplacian 0.5776946E-01 (-1/4)Del**2(Rho)) -0.1444236E-01 Diamond 0.2256870E-02 Metallicity 0.7204001E+00 Ellipticity -0.1278303E+01 Gb(Abramov) 0.1136229E-01 Vb(Abramov) -0.8282215E-02 Hb(Abramov) 0.3080075E-02 Ex_ueg -0.1964169E-02 Ec_ueg -0.4462459E-03 Delta_ex -0.2826853E-02 Delta_ec 0.7595073E-03 Delta_et -0.5653630E-02 Pxc 0.4401539E+01 Qxc -0.3721956E+01 3,+1 69 3 -1 -0.008637 -3.288887 -1.239611 Rho 0.2786732E-01 |GRAD(Rho)| 0.5317013E-16 GRAD(Rho)x 0.5131808E-16 GRAD(Rho)y 0.1346038E-16 GRAD(Rho)z -0.3512242E-17 Laplacian 0.9012260E-01 (-1/4)Del**2(Rho)) -0.2253065E-01 Diamond 0.3225707E-01 Metallicity 0.1958566E+01 Ellipticity 0.5250561E-02 Gb(Abramov) 0.2237506E-01 Vb(Abramov) -0.2221947E-01 Hb(Abramov) 0.1555907E-03 Ex_ueg -0.6239915E-02 Ec_ueg -0.1234135E-02 Delta_ex -0.7515521E-02 Delta_ec 0.4644616E-02 Delta_et -0.4162325E-01 Pxc 0.5056103E+01 Qxc -0.1618115E+01 3,-1 70 3 +1 -0.007395 -2.927659 0.023609 Rho 0.4815103E-02 |GRAD(Rho)| 0.3478989E-17 GRAD(Rho)x 0.3401684E-17 GRAD(Rho)y -0.4878910E-18 GRAD(Rho)z -0.5421011E-18 Laplacian 0.1900528E-01 (-1/4)Del**2(Rho)) -0.4751320E-02 Diamond 0.4190763E-03 Metallicity 0.4978306E+00 Ellipticity -0.3351295E+01 Gb(Abramov) 0.3561772E-02 Vb(Abramov) -0.2372224E-02 Hb(Abramov) 0.1189548E-02 Ex_ueg -0.6005178E-03 Ec_ueg -0.1389646E-03 Delta_ex -0.9359115E-03 Delta_ec 0.5945564E-03 Delta_et -0.3194179E-02 Pxc 0.4321371E+01 Qxc -0.1574134E+01 3,+1 71 3 -1 -0.600781 -2.755330 1.825081 Rho 0.1539304E+00 |GRAD(Rho)| 0.4689389E-13 GRAD(Rho)x 0.4436696E-13 GRAD(Rho)y -0.6551495E-14 GRAD(Rho)z 0.1369990E-13 Laplacian 0.6509251E+00 (-1/4)Del**2(Rho)) -0.1627313E+00 Diamond 0.1352340E+01 Metallicity 0.4680472E+01 Ellipticity 0.2247314E-01 Gb(Abramov) 0.2354307E+00 Vb(Abramov) -0.3081302E+00 Hb(Abramov) -0.7269944E-01 Ex_ueg -0.6092812E-01 Ec_ueg -0.8695592E-02 Delta_ex -0.7026919E-01 Delta_ec 0.1626527E-01 Delta_et -0.2169458E+00 Pxc 0.7006782E+01 Qxc -0.4320199E+01 3,-1 72 3 +1 -0.512827 1.633256 -0.487861 Rho 0.8869855E-02 |GRAD(Rho)| 0.8539991E-14 GRAD(Rho)x 0.6906435E-14 GRAD(Rho)y -0.1699868E-14 GRAD(Rho)z -0.4726843E-14 Laplacian 0.3214033E-01 (-1/4)Del**2(Rho)) -0.8035083E-02 Diamond 0.7831957E-03 Metallicity 0.8148737E+00 Ellipticity -0.1393135E+01 Gb(Abramov) 0.6447985E-02 Vb(Abramov) -0.4860887E-02 Hb(Abramov) 0.1587098E-02 Ex_ueg -0.1356044E-02 Ec_ueg -0.3170703E-03 Delta_ex -0.1430582E-02 Delta_ec 0.3643197E-03 Delta_et -0.2580707E-02 Pxc 0.4276793E+01 Qxc -0.3926722E+01 3,+1 73 3 +1 -0.258077 -2.324378 -1.096051 Rho 0.7242805E-02 |GRAD(Rho)| 0.6926207E-17 GRAD(Rho)x 0.6149459E-17 GRAD(Rho)y -0.2425902E-17 GRAD(Rho)z -0.2066760E-17 Laplacian 0.2867903E-01 (-1/4)Del**2(Rho)) -0.7169758E-02 Diamond 0.7807562E-03 Metallicity 0.6514683E+00 Ellipticity -0.1701427E+01 Gb(Abramov) 0.5558317E-02 Vb(Abramov) -0.3946876E-02 Hb(Abramov) 0.1611441E-02 Ex_ueg -0.1034969E-02 Ec_ueg -0.2446710E-03 Delta_ex -0.1353022E-02 Delta_ec 0.5788254E-03 Delta_et -0.3635310E-02 Pxc 0.4230045E+01 Qxc -0.2337531E+01 3,+1 74 3 +3 -0.125233 -2.408448 -0.134545 Rho 0.4274154E-02 |GRAD(Rho)| 0.6317237E-17 GRAD(Rho)x -0.3794708E-17 GRAD(Rho)y 0.3537210E-17 GRAD(Rho)z -0.3604972E-17 Laplacian 0.1666721E-01 (-1/4)Del**2(Rho)) -0.4166803E-02 Diamond 0.1372928E-03 Metallicity 0.4654079E+00 Ellipticity -0.4049563E+00 Gb(Abramov) 0.3101079E-02 Vb(Abramov) -0.2035355E-02 Hb(Abramov) 0.1065724E-02 Ex_ueg -0.5122932E-03 Ec_ueg -0.1158117E-03 Delta_ex -0.6010741E-03 Delta_ec 0.1620539E-03 Delta_et -0.9882980E-03 Pxc 0.4423503E+01 Qxc -0.3709100E+01 3,+3 75 3 +1 -0.592781 -1.657223 0.472115 Rho 0.8893735E-02 |GRAD(Rho)| 0.2864678E-16 GRAD(Rho)x 0.1341907E-16 GRAD(Rho)y 0.2465967E-16 GRAD(Rho)z -0.5697991E-17 Laplacian 0.3187670E-01 (-1/4)Del**2(Rho)) -0.7969174E-02 Diamond 0.7861416E-03 Metallicity 0.8253031E+00 Ellipticity -0.1414382E+01 Gb(Abramov) 0.6408947E-02 Vb(Abramov) -0.4848720E-02 Hb(Abramov) 0.1560227E-02 Ex_ueg -0.1360914E-02 Ec_ueg -0.3181417E-03 Delta_ex -0.1422654E-02 Delta_ec 0.3663376E-03 Delta_et -0.2591685E-02 Pxc 0.4277697E+01 Qxc -0.3883450E+01 3,+1 76 3 +1 -0.202105 0.192197 2.908295 Rho 0.5927774E-02 |GRAD(Rho)| 0.1444624E-16 GRAD(Rho)x -0.1395407E-16 GRAD(Rho)y -0.3434603E-17 GRAD(Rho)z 0.1476904E-17 Laplacian 0.2470334E-01 (-1/4)Del**2(Rho)) -0.6175836E-02 Diamond 0.6748809E-03 Metallicity 0.5415977E+00 Ellipticity -0.2608196E+01 Gb(Abramov) 0.4674694E-02 Vb(Abramov) -0.3173551E-02 Hb(Abramov) 0.1501142E-02 Ex_ueg -0.7923320E-03 Ec_ueg -0.1870546E-03 Delta_ex -0.1233200E-02 Delta_ec 0.7126057E-03 Delta_et -0.4098446E-02 Pxc 0.4235833E+01 Qxc -0.1730550E+01 3,+1 77 3 +1 -1.777287 -1.701618 1.784449 Rho 0.1255372E-01 |GRAD(Rho)| 0.7545274E-15 GRAD(Rho)x 0.1819231E-15 GRAD(Rho)y -0.6211739E-15 GRAD(Rho)z -0.3877610E-15 Laplacian 0.6354415E-01 (-1/4)Del**2(Rho)) -0.1588604E-01 Diamond 0.2679329E-02 Metallicity 0.7353460E+00 Ellipticity -0.1247330E+01 Gb(Abramov) 0.1253765E-01 Vb(Abramov) -0.9189258E-02 Hb(Abramov) 0.3348390E-02 Ex_ueg -0.2154840E-02 Ec_ueg -0.4851907E-03 Delta_ex -0.3152916E-02 Delta_ec 0.8104948E-03 Delta_et -0.6155360E-02 Pxc 0.4441223E+01 Qxc -0.3890113E+01 3,+1 78 3 -1 -0.568345 -1.794344 2.788514 Rho 0.1299310E+00 |GRAD(Rho)| 0.4737012E-12 GRAD(Rho)x -0.3008870E-12 GRAD(Rho)y 0.3480266E-12 GRAD(Rho)z 0.1128597E-12 Laplacian 0.5395015E+00 (-1/4)Del**2(Rho)) -0.1348754E+00 Diamond 0.9217798E+00 Metallicity 0.4257373E+01 Ellipticity 0.1357656E-01 Gb(Abramov) 0.1856194E+00 Vb(Abramov) -0.2363634E+00 Hb(Abramov) -0.5074401E-01 Ex_ueg -0.4860363E-01 Ec_ueg -0.7171471E-02 Delta_ex -0.5596754E-01 Delta_ec 0.1421319E-01 Delta_et -0.1852166E+00 Pxc 0.6777358E+01 Qxc -0.3937717E+01 3,-1 79 3 +1 -0.300005 -0.570753 -3.013558 Rho 0.3214803E-02 |GRAD(Rho)| 0.2415076E-14 GRAD(Rho)x -0.5890107E-16 GRAD(Rho)y -0.2325549E-14 GRAD(Rho)z 0.6488018E-15 Laplacian 0.1257316E-01 (-1/4)Del**2(Rho)) -0.3143290E-02 Diamond 0.1259249E-03 Metallicity 0.3837890E+00 Ellipticity -0.1311713E+01 Gb(Abramov) 0.2296587E-02 Vb(Abramov) -0.1449883E-02 Hb(Abramov) 0.8467033E-03 Ex_ueg -0.3504215E-03 Ec_ueg -0.7091644E-04 Delta_ex -0.5152631E-03 Delta_ec 0.2879851E-03 Delta_et -0.1413667E-02 Pxc 0.4941330E+01 Qxc -0.1789201E+01 3,+1 80 3 +1 -0.542458 0.453844 -1.656610 Rho 0.9029216E-02 |GRAD(Rho)| 0.1708320E-14 GRAD(Rho)x -0.7790714E-15 GRAD(Rho)y -0.1336359E-14 GRAD(Rho)z 0.7249480E-15 Laplacian 0.3299184E-01 (-1/4)Del**2(Rho)) -0.8247959E-02 Diamond 0.8447452E-03 Metallicity 0.8177554E+00 Ellipticity -0.1417722E+01 Gb(Abramov) 0.6622775E-02 Vb(Abramov) -0.4997591E-02 Hb(Abramov) 0.1625184E-02 Ex_ueg -0.1388625E-02 Ec_ueg -0.3242251E-03 Delta_ex -0.1484228E-02 Delta_ec 0.3897843E-03 Delta_et -0.2757237E-02 Pxc 0.4282906E+01 Qxc -0.3807817E+01 3,+1 81 3 -1 0.529106 1.671773 -1.726093 Rho 0.5370550E-01 |GRAD(Rho)| 0.8120547E-16 GRAD(Rho)x 0.5019475E-16 GRAD(Rho)y -0.5643526E-16 GRAD(Rho)z 0.2983081E-16 Laplacian 0.2158552E+00 (-1/4)Del**2(Rho)) -0.5396379E-01 Diamond 0.1186189E+00 Metallicity 0.2440518E+01 Ellipticity 0.9657980E-02 Gb(Abramov) 0.5792580E-01 Vb(Abramov) -0.6188780E-01 Hb(Abramov) -0.3962005E-02 Ex_ueg -0.1496500E-01 Ec_ueg -0.2620701E-02 Delta_ex -0.1801385E-01 Delta_ec 0.6290137E-02 Delta_et -0.6752268E-01 Pxc 0.5710304E+01 Qxc -0.2863825E+01 3,-1 82 3 +1 0.479946 1.665540 0.477198 Rho 0.7929059E-02 |GRAD(Rho)| 0.7138753E-15 GRAD(Rho)x -0.1923863E-15 GRAD(Rho)y -0.5292421E-15 GRAD(Rho)z -0.4387577E-15 Laplacian 0.2942366E-01 (-1/4)Del**2(Rho)) -0.7355916E-02 Diamond 0.6478438E-03 Metallicity 0.7383900E+00 Ellipticity -0.1379614E+01 Gb(Abramov) 0.5809200E-02 Vb(Abramov) -0.4262484E-02 Hb(Abramov) 0.1546716E-02 Ex_ueg -0.1167743E-02 Ec_ueg -0.2750611E-03 Delta_ex -0.1288260E-02 Delta_ec 0.3628503E-03 Delta_et -0.2471241E-02 Pxc 0.4245395E+01 Qxc -0.3550390E+01 3,+1 83 3 +1 1.349281 2.130921 -1.127149 Rho 0.2921862E-01 |GRAD(Rho)| 0.7759470E-16 GRAD(Rho)x -0.2645597E-17 GRAD(Rho)y 0.6439776E-16 GRAD(Rho)z -0.4320724E-16 Laplacian 0.1132355E+00 (-1/4)Del**2(Rho)) -0.2830888E-01 Diamond 0.1810135E-01 Metallicity 0.1686799E+01 Ellipticity -0.4737881E+01 Gb(Abramov) 0.2683115E-01 Vb(Abramov) -0.2535342E-01 Hb(Abramov) 0.1477728E-02 Ex_ueg -0.6646576E-02 Ec_ueg -0.1303373E-02 Delta_ex -0.7320985E-02 Delta_ec 0.1881033E-02 Delta_et -0.1724557E-01 Pxc 0.5099518E+01 Qxc -0.3892002E+01 3,+1 84 3 +1 -1.218200 1.264157 2.201178 Rho 0.2855638E-01 |GRAD(Rho)| 0.7296854E-16 GRAD(Rho)x -0.1788497E-16 GRAD(Rho)y 0.1465773E-16 GRAD(Rho)z 0.6920756E-16 Laplacian 0.1108041E+00 (-1/4)Del**2(Rho)) -0.2770103E-01 Diamond 0.1763579E-01 Metallicity 0.1659189E+01 Ellipticity -0.5564741E+01 Gb(Abramov) 0.2612756E-01 Vb(Abramov) -0.2455410E-01 Hb(Abramov) 0.1573468E-02 Ex_ueg -0.6446481E-02 Ec_ueg -0.1269387E-02 Delta_ex -0.7162657E-02 Delta_ec 0.1917657E-02 Delta_et -0.1747601E-01 Pxc 0.5078420E+01 Qxc -0.3735109E+01 3,+1 85 3 +3 0.009605 2.252645 0.021672 Rho 0.4954270E-02 |GRAD(Rho)| 0.6291321E-17 GRAD(Rho)x 0.2470850E-17 GRAD(Rho)y 0.4210838E-18 GRAD(Rho)z 0.5770469E-17 Laplacian 0.1980298E-01 (-1/4)Del**2(Rho)) -0.4950745E-02 Diamond 0.1730454E-03 Metallicity 0.5010128E+00 Ellipticity -0.3564562E+00 Gb(Abramov) 0.3713894E-02 Vb(Abramov) -0.2477044E-02 Hb(Abramov) 0.1236851E-02 Ex_ueg -0.6237703E-03 Ec_ueg -0.1449454E-03 Delta_ex -0.7167321E-03 Delta_ec 0.1484653E-03 Delta_et -0.9963514E-03 Pxc 0.4303484E+01 Qxc -0.4827608E+01 3,+3 86 3 +3 1.055776 1.048965 1.030277 Rho 0.4693868E-02 |GRAD(Rho)| 0.6018294E-13 GRAD(Rho)x -0.4245189E-13 GRAD(Rho)y 0.5617920E-14 GRAD(Rho)z -0.4228785E-13 Laplacian 0.1668825E-01 (-1/4)Del**2(Rho)) -0.4172062E-02 Diamond 0.9760719E-04 Metallicity 0.5433594E+00 Ellipticity -0.1869445E+00 Gb(Abramov) 0.3159196E-02 Vb(Abramov) -0.2146330E-02 Hb(Abramov) 0.1012866E-02 Ex_ueg -0.5804429E-03 Ec_ueg -0.1337626E-03 Delta_ex -0.5571929E-03 Delta_ec 0.5678323E-04 Delta_et -0.4933091E-03 Pxc 0.4339353E+01 Qxc -0.9812631E+01 3,+3 87 3 -1 0.541064 1.794606 2.753439 Rho 0.1453435E+00 |GRAD(Rho)| 0.5260075E-15 GRAD(Rho)x -0.2174910E-15 GRAD(Rho)y 0.4789192E-15 GRAD(Rho)z -0.4235165E-17 Laplacian 0.6128758E+00 (-1/4)Del**2(Rho)) -0.1532189E+00 Diamond 0.1189580E+01 Metallicity 0.4517517E+01 Ellipticity 0.1361077E-01 Gb(Abramov) 0.2175075E+00 Vb(Abramov) -0.2817961E+00 Hb(Abramov) -0.6428856E-01 Ex_ueg -0.5643896E-01 Ec_ueg -0.8146097E-02 Delta_ex -0.6524499E-01 Delta_ec 0.1555591E-01 Delta_et -0.2059006E+00 Pxc 0.6928344E+01 Qxc -0.4194226E+01 3,-1 88 3 +1 -1.705450 0.469309 -0.463318 Rho 0.9738641E-02 |GRAD(Rho)| 0.5540007E-12 GRAD(Rho)x 0.4086104E-12 GRAD(Rho)y 0.3316556E-12 GRAD(Rho)z -0.1730863E-12 Laplacian 0.3550984E-01 (-1/4)Del**2(Rho)) -0.8877459E-02 Diamond 0.1003773E-02 Metallicity 0.8618435E+00 Ellipticity -0.1445734E+01 Gb(Abramov) 0.7193469E-02 Vb(Abramov) -0.5509480E-02 Hb(Abramov) 0.1683990E-02 Ex_ueg -0.1535970E-02 Ec_ueg -0.3562097E-03 Delta_ex -0.1627759E-02 Delta_ec 0.4164131E-03 Delta_et -0.3003073E-02 Pxc 0.4311983E+01 Qxc -0.3909001E+01 3,+1 89 3 +1 1.373173 1.083409 -2.171515 Rho 0.3009888E-01 |GRAD(Rho)| 0.2311913E-15 GRAD(Rho)x 0.1650277E-15 GRAD(Rho)y -0.8078129E-16 GRAD(Rho)z -0.1403200E-15 Laplacian 0.1191689E+00 (-1/4)Del**2(Rho)) -0.2979222E-01 Diamond 0.2035681E-01 Metallicity 0.1684098E+01 Ellipticity -0.5550685E+01 Gb(Abramov) 0.2822365E-01 Vb(Abramov) -0.2665509E-01 Hb(Abramov) 0.1568568E-02 Ex_ueg -0.6914893E-02 Ec_ueg -0.1348709E-02 Delta_ex -0.7810107E-02 Delta_ec 0.2056970E-02 Delta_et -0.1898382E-01 Pxc 0.5127048E+01 Qxc -0.3796900E+01 3,+1 90 3 -1 1.718991 1.712011 -0.551114 Rho 0.4276371E-01 |GRAD(Rho)| 0.1234739E-16 GRAD(Rho)x 0.8183609E-17 GRAD(Rho)y 0.2948733E-17 GRAD(Rho)z 0.8763085E-17 Laplacian 0.1681777E+00 (-1/4)Del**2(Rho)) -0.4204441E-01 Diamond 0.6679695E-01 Metallicity 0.2142745E+01 Ellipticity 0.1368732E-01 Gb(Abramov) 0.4304469E-01 Vb(Abramov) -0.4404496E-01 Hb(Abramov) -0.1000274E-02 Ex_ueg -0.1104466E-01 Ec_ueg -0.2018967E-02 Delta_ex -0.1319852E-01 Delta_ec 0.4814458E-02 Delta_et -0.4868056E-01 Pxc 0.5470450E+01 Qxc -0.2741434E+01 3,-1 91 3 -1 1.792012 2.782925 0.566373 Rho 0.1459291E+00 |GRAD(Rho)| 0.1181929E-15 GRAD(Rho)x 0.7632783E-16 GRAD(Rho)y -0.8767130E-16 GRAD(Rho)z -0.2138589E-16 Laplacian 0.6167204E+00 (-1/4)Del**2(Rho)) -0.1541801E+00 Diamond 0.1206970E+01 Metallicity 0.4519545E+01 Ellipticity 0.1174897E-01 Gb(Abramov) 0.2189241E+00 Vb(Abramov) -0.2836680E+00 Hb(Abramov) -0.6474397E-01 Ex_ueg -0.5674240E-01 Ec_ueg -0.8183430E-02 Delta_ex -0.6576175E-01 Delta_ec 0.1571416E-01 Delta_et -0.2082845E+00 Pxc 0.6933816E+01 Qxc -0.4184871E+01 3,-1 92 3 +1 1.728312 1.753447 1.731164 Rho 0.1247395E-01 |GRAD(Rho)| 0.1982582E-14 GRAD(Rho)x 0.1398152E-14 GRAD(Rho)y 0.1313471E-14 GRAD(Rho)z -0.5005941E-15 Laplacian 0.6309065E-01 (-1/4)Del**2(Rho)) -0.1577266E-01 Diamond 0.2644727E-02 Metallicity 0.7328042E+00 Ellipticity -0.1246391E+01 Gb(Abramov) 0.1244149E-01 Vb(Abramov) -0.9110313E-02 Hb(Abramov) 0.3331175E-02 Ex_ueg -0.2136602E-02 Ec_ueg -0.4814920E-03 Delta_ex -0.3127237E-02 Delta_ec 0.8084821E-03 Delta_et -0.6127716E-02 Pxc 0.4437460E+01 Qxc -0.3868035E+01 3,+1 93 3 -1 1.989217 2.975074 -0.852351 Rho 0.1435003E+00 |GRAD(Rho)| 0.6072567E-13 GRAD(Rho)x 0.3513781E-13 GRAD(Rho)y -0.2104119E-13 GRAD(Rho)z 0.4483535E-13 Laplacian 0.5631048E+00 (-1/4)Del**2(Rho)) -0.1407762E+00 Diamond 0.1084052E+01 Metallicity 0.4813328E+01 Ellipticity 0.4098415E-01 Gb(Abramov) 0.2067845E+00 Vb(Abramov) -0.2727928E+00 Hb(Abramov) -0.6600828E-01 Ex_ueg -0.5548671E-01 Ec_ueg -0.8028749E-02 Delta_ex -0.5984082E-01 Delta_ec 0.1448302E-01 Delta_et -0.1916648E+00 Pxc 0.6911003E+01 Qxc -0.4131791E+01 3,-1 94 3 +1 0.226937 2.916569 -0.204412 Rho 0.6065537E-02 |GRAD(Rho)| 0.2341988E-14 GRAD(Rho)x 0.1686555E-14 GRAD(Rho)y 0.1673743E-15 GRAD(Rho)z -0.1616301E-14 Laplacian 0.2537804E-01 (-1/4)Del**2(Rho)) -0.6344509E-02 Diamond 0.6823781E-03 Metallicity 0.5477772E+00 Ellipticity -0.2170768E+01 Gb(Abramov) 0.4808902E-02 Vb(Abramov) -0.3273295E-02 Hb(Abramov) 0.1535607E-02 Ex_ueg -0.8169787E-03 Ec_ueg -0.1930515E-03 Delta_ex -0.1249350E-02 Delta_ec 0.6901361E-03 Delta_et -0.4014347E-02 Pxc 0.4231921E+01 Qxc -0.1810294E+01 3,+1 95 3 -1 2.765168 1.807491 0.576548 Rho 0.1446819E+00 |GRAD(Rho)| 0.1017882E-11 GRAD(Rho)x 0.2185385E-12 GRAD(Rho)y -0.7414427E-12 GRAD(Rho)z 0.6622599E-12 Laplacian 0.6087888E+00 (-1/4)Del**2(Rho)) -0.1521972E+00 Diamond 0.1180143E+01 Metallicity 0.4513399E+01 Ellipticity 0.8138580E-02 Gb(Abramov) 0.2159526E+00 Vb(Abramov) -0.2797079E+00 Hb(Abramov) -0.6375537E-01 Ex_ueg -0.5609672E-01 Ec_ueg -0.8103955E-02 Delta_ex -0.6478925E-01 Delta_ec 0.1556201E-01 Delta_et -0.2060507E+00 Pxc 0.6922141E+01 Qxc -0.4163296E+01 3,-1 96 3 +1 2.178398 1.222932 -1.231112 Rho 0.2749393E-01 |GRAD(Rho)| 0.1246699E-15 GRAD(Rho)x 0.1209032E-15 GRAD(Rho)y 0.2585210E-16 GRAD(Rho)z -0.1602110E-16 Laplacian 0.1079126E+00 (-1/4)Del**2(Rho)) -0.2697814E-01 Diamond 0.1709088E-01 Metallicity 0.1599322E+01 Ellipticity -0.7880656E+01 Gb(Abramov) 0.2517655E-01 Vb(Abramov) -0.2337495E-01 Hb(Abramov) 0.1801592E-02 Ex_ueg -0.6128687E-02 Ec_ueg -0.1215081E-02 Delta_ex -0.6980656E-02 Delta_ec 0.2002420E-02 Delta_et -0.1806075E-01 Pxc 0.5043850E+01 Qxc -0.3486110E+01 3,+1 97 3 -1 2.843872 -0.548138 -1.785606 Rho 0.1390757E+00 |GRAD(Rho)| 0.1078574E-11 GRAD(Rho)x -0.2076368E-12 GRAD(Rho)y 0.6971101E-12 GRAD(Rho)z -0.7963956E-12 Laplacian 0.5726571E+00 (-1/4)Del**2(Rho)) -0.1431643E+00 Diamond 0.1058699E+01 Metallicity 0.4492317E+01 Ellipticity 0.1706581E-01 Gb(Abramov) 0.2026327E+00 Vb(Abramov) -0.2621012E+00 Hb(Abramov) -0.5946846E-01 Ex_ueg -0.5321735E-01 Ec_ueg -0.7747909E-02 Delta_ex -0.6035975E-01 Delta_ec 0.1478193E-01 Delta_et -0.1945821E+00 Pxc 0.6868608E+01 Qxc -0.4083347E+01 3,-1 98 3 +1 2.948691 -0.183225 0.215437 Rho 0.5692438E-02 |GRAD(Rho)| 0.4736589E-17 GRAD(Rho)x 0.1345412E-17 GRAD(Rho)y -0.1687950E-17 GRAD(Rho)z -0.4216155E-17 Laplacian 0.2348077E-01 (-1/4)Del**2(Rho)) -0.5870192E-02 Diamond 0.5960629E-03 Metallicity 0.5325962E+00 Ellipticity -0.2291945E+01 Gb(Abramov) 0.4434535E-02 Vb(Abramov) -0.2998878E-02 Hb(Abramov) 0.1435657E-02 Ex_ueg -0.7506707E-03 Ec_ueg -0.1768319E-03 Delta_ex -0.1153684E-02 Delta_ec 0.6614914E-03 Delta_et -0.3765924E-02 Pxc 0.4245110E+01 Qxc -0.1744065E+01 3,+1 99 3 -1 2.949872 0.022918 0.012521 Rho 0.5773915E-02 |GRAD(Rho)| 0.1929805E-16 GRAD(Rho)x -0.2220773E-18 GRAD(Rho)y 0.1363845E-16 GRAD(Rho)z 0.1365130E-16 Laplacian 0.2309291E-01 (-1/4)Del**2(Rho)) -0.5773228E-02 Diamond 0.7621956E-03 Metallicity 0.5545215E+00 Ellipticity 0.2172963E+01 Gb(Abramov) 0.4382382E-02 Vb(Abramov) -0.2991536E-02 Hb(Abramov) 0.1390846E-02 Ex_ueg -0.7650307E-03 Ec_ueg -0.1803680E-03 Delta_ex -0.1264123E-02 Delta_ec 0.8758751E-03 Delta_et -0.4907503E-02 Pxc 0.4241498E+01 Qxc -0.1443269E+01 3,-1 100 3 -1 2.977075 -0.873141 1.994029 Rho 0.1692116E+00 |GRAD(Rho)| 0.4291544E-15 GRAD(Rho)x 0.1601773E-15 GRAD(Rho)y -0.3468634E-15 GRAD(Rho)z -0.1954545E-15 Laplacian 0.6620111E+00 (-1/4)Del**2(Rho)) -0.1655028E+00 Diamond 0.1545078E+01 Metallicity 0.5388460E+01 Ellipticity 0.5470689E-01 Gb(Abramov) 0.2589694E+00 Vb(Abramov) -0.3524359E+00 Hb(Abramov) -0.9346659E-01 Ex_ueg -0.6912341E-01 Ec_ueg -0.9684470E-02 Delta_ex -0.7320267E-01 Delta_ec 0.1621030E-01 Delta_et -0.2189309E+00 Pxc 0.7137552E+01 Qxc -0.4515813E+01 3,-1 101 3 +1 0.424078 -0.741586 -1.766207 Rho 0.5875470E-02 |GRAD(Rho)| 0.3468216E-16 GRAD(Rho)x -0.1784964E-16 GRAD(Rho)y -0.2944846E-16 GRAD(Rho)z 0.4126850E-17 Laplacian 0.2100210E-01 (-1/4)Del**2(Rho)) -0.5250525E-02 Diamond 0.4271547E-03 Metallicity 0.6277040E+00 Ellipticity -0.1765271E+01 Gb(Abramov) 0.4049646E-02 Vb(Abramov) -0.2848767E-02 Hb(Abramov) 0.1200879E-02 Ex_ueg -0.7830243E-03 Ec_ueg -0.1847802E-03 Delta_ex -0.9418539E-03 Delta_ec 0.4189260E-03 Delta_et -0.2483812E-02 Pxc 0.4237597E+01 Qxc -0.2248258E+01 3,+1 102 3 +1 2.949275 0.196772 -0.161811 Rho 0.5720886E-02 |GRAD(Rho)| 0.1392628E-16 GRAD(Rho)x 0.1144005E-17 GRAD(Rho)y -0.7989363E-17 GRAD(Rho)z -0.1134912E-16 Laplacian 0.2381681E-01 (-1/4)Del**2(Rho)) -0.5954204E-02 Diamond 0.6265508E-03 Metallicity 0.5294621E+00 Ellipticity -0.2508417E+01 Gb(Abramov) 0.4494890E-02 Vb(Abramov) -0.3035576E-02 Hb(Abramov) 0.1459314E-02 Ex_ueg -0.7556768E-03 Ec_ueg -0.1780661E-03 Delta_ex -0.1185265E-02 Delta_ec 0.6957354E-03 Delta_et -0.3955718E-02 Pxc 0.4243798E+01 Qxc -0.1703614E+01 3,+1 103 3 -1 2.939023 -2.010587 0.823557 Rho 0.1018584E+00 |GRAD(Rho)| 0.9794414E-13 GRAD(Rho)x -0.6681316E-13 GRAD(Rho)y -0.6808212E-13 GRAD(Rho)z 0.2222345E-13 Laplacian 0.4063333E+00 (-1/4)Del**2(Rho)) -0.1015833E+00 Diamond 0.5149522E+00 Metallicity 0.3767546E+01 Ellipticity 0.1858950E-02 Gb(Abramov) 0.1315089E+00 Vb(Abramov) -0.1614344E+00 Hb(Abramov) -0.2992553E-01 Ex_ueg -0.3513290E-01 Ec_ueg -0.5437762E-02 Delta_ex -0.3973920E-01 Delta_ec 0.1123200E-01 Delta_et -0.1399661E+00 Pxc 0.6460911E+01 Qxc -0.3538033E+01 3,-1 104 3 -1 3.182768 0.037994 3.199525 Rho 0.2455173E+00 |GRAD(Rho)| 0.1549994E-15 GRAD(Rho)x 0.9530137E-16 GRAD(Rho)y 0.9568084E-17 GRAD(Rho)z 0.1218643E-15 Laplacian 0.8926664E+00 (-1/4)Del**2(Rho)) -0.2231666E+00 Diamond 0.3237668E+01 Metallicity 0.7431230E+01 Ellipticity 0.3406041E-02 Gb(Abramov) 0.4251781E+00 Vb(Abramov) -0.6271896E+00 Hb(Abramov) -0.2020115E+00 Ex_ueg -0.1135432E+00 Ec_ueg -0.1482134E-01 Delta_ex -0.1084590E+00 Delta_ec 0.1952199E-01 Delta_et -0.2703101E+00 Pxc 0.7660792E+01 Qxc -0.5555739E+01 3,-1 105 3 +1 1.289188 -1.169038 2.159995 Rho 0.2830213E-01 |GRAD(Rho)| 0.6869132E-16 GRAD(Rho)x 0.3688135E-16 GRAD(Rho)y 0.2154806E-16 GRAD(Rho)z 0.5379540E-16 Laplacian 0.1100146E+00 (-1/4)Del**2(Rho)) -0.2750364E-01 Diamond 0.1697365E-01 Metallicity 0.1646373E+01 Ellipticity -0.4607507E+01 Gb(Abramov) 0.2588264E-01 Vb(Abramov) -0.2426163E-01 Hb(Abramov) 0.1621006E-02 Ex_ueg -0.6370066E-02 Ec_ueg -0.1256366E-02 Delta_ex -0.7064915E-02 Delta_ec 0.1851059E-02 Delta_et -0.1683994E-01 Pxc 0.5070230E+01 Qxc -0.3816688E+01 3,+1 106 3 -1 3.319095 -0.009116 -3.178333 Rho 0.2451991E+00 |GRAD(Rho)| 0.2625386E-12 GRAD(Rho)x -0.1914368E-12 GRAD(Rho)y 0.3676038E-13 GRAD(Rho)z 0.1758612E-12 Laplacian 0.8892341E+00 (-1/4)Del**2(Rho)) -0.2223085E+00 Diamond 0.3221231E+01 Metallicity 0.7443810E+01 Ellipticity 0.3337653E-02 Gb(Abramov) 0.4240094E+00 Vb(Abramov) -0.6257103E+00 Hb(Abramov) -0.2017009E+00 Ex_ueg -0.1133471E+00 Ec_ueg -0.1479925E-01 Delta_ex -0.1080107E+00 Delta_ec 0.1946412E-01 Delta_et -0.2695435E+00 Pxc 0.7658972E+01 Qxc -0.5549221E+01 3,-1 107 3 +3 0.935623 -1.111817 -1.201368 Rho 0.4463158E-02 |GRAD(Rho)| 0.1965306E-14 GRAD(Rho)x -0.5943299E-15 GRAD(Rho)y -0.1538145E-15 GRAD(Rho)z 0.1866961E-14 Laplacian 0.1518464E-01 (-1/4)Del**2(Rho)) -0.3796160E-02 Diamond 0.9674626E-04 Metallicity 0.5490507E+00 Ellipticity -0.5168724E+00 Gb(Abramov) 0.2878154E-02 Vb(Abramov) -0.1960148E-02 Hb(Abramov) 0.9180060E-03 Ex_ueg -0.5427187E-03 Ec_ueg -0.1238840E-03 Delta_ex -0.5148457E-03 Delta_ec 0.7840571E-04 Delta_et -0.5748973E-03 Pxc 0.4380863E+01 Qxc -0.6566431E+01 3,+3 108 3 +1 -2.190274 1.263187 1.247988 Rho 0.2934429E-01 |GRAD(Rho)| 0.2804995E-16 GRAD(Rho)x 0.2718061E-16 GRAD(Rho)y 0.3789012E-17 GRAD(Rho)z -0.5801521E-17 Laplacian 0.1151206E+00 (-1/4)Del**2(Rho)) -0.2878014E-01 Diamond 0.1931128E-01 Metallicity 0.1671089E+01 Ellipticity -0.6688249E+01 Gb(Abramov) 0.2720245E-01 Vb(Abramov) -0.2562477E-01 Hb(Abramov) 0.1577686E-02 Ex_ueg -0.6684718E-02 Ec_ueg -0.1309834E-02 Delta_ex -0.7521624E-02 Delta_ec 0.2037534E-02 Delta_et -0.1868545E-01 Pxc 0.5103483E+01 Qxc -0.3691534E+01 3,+1 109 3 -1 -1.750610 1.689998 0.549842 Rho 0.4886359E-01 |GRAD(Rho)| 0.8445743E-14 GRAD(Rho)x -0.2282375E-14 GRAD(Rho)y -0.4569498E-14 GRAD(Rho)z 0.6726146E-14 Laplacian 0.1955083E+00 (-1/4)Del**2(Rho)) -0.4887708E-01 Diamond 0.9420266E-01 Metallicity 0.2301920E+01 Ellipticity 0.1754057E-01 Gb(Abramov) 0.5133658E-01 Vb(Abramov) -0.5379607E-01 Hb(Abramov) -0.2459496E-02 Ex_ueg -0.1319367E-01 Ec_ueg -0.2352154E-02 Delta_ex -0.1591747E-01 Delta_ec 0.5679090E-02 Delta_et -0.5948678E-01 Pxc 0.5609185E+01 Qxc -0.2802821E+01 3,-1 110 3 +1 1.885375 -1.770199 -1.725043 Rho 0.1447602E-01 |GRAD(Rho)| 0.2535042E-12 GRAD(Rho)x 0.7180443E-13 GRAD(Rho)y -0.1073870E-12 GRAD(Rho)z 0.2181205E-12 Laplacian 0.6907140E-01 (-1/4)Del**2(Rho)) -0.1726785E-01 Diamond 0.3600398E-02 Metallicity 0.8578213E+00 Ellipticity -0.1386912E+01 Gb(Abramov) 0.1398069E-01 Vb(Abramov) -0.1069353E-01 Hb(Abramov) 0.3287162E-02 Ex_ueg -0.2605657E-02 Ec_ueg -0.5750440E-03 Delta_ex -0.3573023E-02 Delta_ec 0.9043415E-03 Delta_et -0.7090983E-02 Pxc 0.4531230E+01 Qxc -0.3950967E+01 3,+1 111 3 -1 -0.857300 -3.476174 -1.291426 Rho 0.3190703E+00 |GRAD(Rho)| 0.3412042E-12 GRAD(Rho)x -0.2698490E-12 GRAD(Rho)y -0.2339765E-13 GRAD(Rho)z 0.2074954E-12 Laplacian -0.1658932E+01 (-1/4)Del**2(Rho)) 0.4147330E+00 Diamond 0.5708783E+01 Metallicity -0.6188639E+01 Ellipticity 0.2555374E-02 Gb(Abramov) 0.1512834E+00 Vb(Abramov) -0.7172999E+00 Hb(Abramov) -0.5660164E+00 Ex_ueg -0.1610275E+00 Ec_ueg -0.2007665E-01 Delta_ex 0.1652627E+00 Delta_ec 0.5743208E-01 Delta_et -0.1363303E+01 Pxc 0.8020638E+01 Qxc 0.2877533E+01 3,-1 112 3 -1 -0.542001 0.458609 0.480769 Rho 0.1854270E+00 |GRAD(Rho)| 0.9874562E-15 GRAD(Rho)x -0.7125114E-15 GRAD(Rho)y 0.3277844E-15 GRAD(Rho)z 0.5999621E-15 Laplacian 0.7675272E+00 (-1/4)Del**2(Rho)) -0.1918818E+00 Diamond 0.2363205E+01 Metallicity 0.5413453E+01 Ellipticity 0.1780594E-02 Gb(Abramov) 0.3010451E+00 Vb(Abramov) -0.4102084E+00 Hb(Abramov) -0.1091633E+00 Ex_ueg -0.7809366E-01 Ec_ueg -0.1074875E-01 Delta_ex -0.8957662E-01 Delta_ec 0.2322418E-01 Delta_et -0.3319716E+00 Pxc 0.7265368E+01 Qxc -0.3857041E+01 3,-1 113 3 +3 -1.100531 1.050085 -1.083635 Rho 0.5319669E-02 |GRAD(Rho)| 0.2291305E-16 GRAD(Rho)x 0.2126764E-16 GRAD(Rho)y -0.7438210E-17 GRAD(Rho)z 0.4167525E-17 Laplacian 0.1830226E-01 (-1/4)Del**2(Rho)) -0.4575564E-02 Diamond 0.1158851E-03 Metallicity 0.6103555E+00 Ellipticity -0.2245974E+00 Gb(Abramov) 0.3515830E-02 Vb(Abramov) -0.2456095E-02 Hb(Abramov) 0.1059735E-02 Ex_ueg -0.6858532E-03 Ec_ueg -0.1606953E-03 Delta_ex -0.6234436E-03 Delta_ec 0.4512303E-04 Delta_et -0.4628486E-03 Pxc 0.4268036E+01 Qxc -0.1381653E+02 3,+3 114 3 -1 0.844557 -3.005078 1.997009 Rho 0.1484868E+00 |GRAD(Rho)| 0.1024716E-14 GRAD(Rho)x 0.9666476E-15 GRAD(Rho)y -0.3012185E-15 GRAD(Rho)z -0.1578056E-15 Laplacian 0.5814988E+00 (-1/4)Del**2(Rho)) -0.1453747E+00 Diamond 0.1162732E+01 Metallicity 0.4934133E+01 Ellipticity 0.5828703E-01 Gb(Abramov) 0.2164662E+00 Vb(Abramov) -0.2875576E+00 Hb(Abramov) -0.7109146E-01 Ex_ueg -0.5807229E-01 Ec_ueg -0.8346719E-02 Delta_ex -0.6227789E-01 Delta_ec 0.1476566E-01 Delta_et -0.1962234E+00 Pxc 0.6957499E+01 Qxc -0.4217752E+01 3,-1 115 3 -1 1.181867 -2.288796 -1.995070 Rho 0.4759286E-01 |GRAD(Rho)| 0.1641001E-12 GRAD(Rho)x 0.3641378E-13 GRAD(Rho)y 0.1406300E-12 GRAD(Rho)z -0.7632863E-13 Laplacian 0.1258358E+00 (-1/4)Del**2(Rho)) -0.3145896E-01 Diamond 0.9368009E-01 Metallicity 0.3422776E+01 Ellipticity 0.9869909E-02 Gb(Abramov) 0.3891880E-01 Vb(Abramov) -0.4637864E-01 Hb(Abramov) -0.7459841E-02 Ex_ueg -0.1273818E-01 Ec_ueg -0.2282254E-02 Delta_ex -0.1179658E-01 Delta_ec 0.6547413E-02 Delta_et -0.6883470E-01 Pxc 0.5581403E+01 Qxc -0.1801717E+01 3,-1 116 3 +1 0.314967 -1.524802 -1.654110 Rho 0.5864419E-02 |GRAD(Rho)| 0.2423807E-16 GRAD(Rho)x 0.1263111E-16 GRAD(Rho)y -0.2066570E-16 GRAD(Rho)z 0.9317362E-18 Laplacian 0.2240948E-01 (-1/4)Del**2(Rho)) -0.5602369E-02 Diamond 0.5182210E-03 Metallicity 0.5864394E+00 Ellipticity -0.1965820E+01 Gb(Abramov) 0.4282488E-02 Vb(Abramov) -0.2962606E-02 Hb(Abramov) 0.1319881E-02 Ex_ueg -0.7810612E-03 Ec_ueg -0.1842999E-03 Delta_ex -0.1052286E-02 Delta_ec 0.5322433E-03 Delta_et -0.3100727E-02 Pxc 0.4237991E+01 Qxc -0.1977077E+01 3,+1 117 3 -1 1.672270 -1.779300 0.493441 Rho 0.4696028E-01 |GRAD(Rho)| 0.7772664E-14 GRAD(Rho)x -0.2246608E-14 GRAD(Rho)y -0.5907786E-14 GRAD(Rho)z 0.4523840E-14 Laplacian 0.1862632E+00 (-1/4)Del**2(Rho)) -0.4656581E-01 Diamond 0.8514435E-01 Metallicity 0.2261364E+01 Ellipticity 0.1421277E-01 Gb(Abramov) 0.4859425E-01 Vb(Abramov) -0.5062269E-01 Hb(Abramov) -0.2028438E-02 Ex_ueg -0.1251294E-01 Ec_ueg -0.2247551E-02 Delta_ex -0.1501900E-01 Delta_ec 0.5421949E-02 Delta_et -0.5620981E-01 Pxc 0.5567365E+01 Qxc -0.2770037E+01 3,-1 118 3 +1 0.356164 -1.744348 -0.654358 Rho 0.7363451E-02 |GRAD(Rho)| 0.7538459E-16 GRAD(Rho)x -0.5295904E-16 GRAD(Rho)y -0.5170628E-16 GRAD(Rho)z 0.1430512E-16 Laplacian 0.2587312E-01 (-1/4)Del**2(Rho)) -0.6468280E-02 Diamond 0.6407170E-03 Metallicity 0.7422783E+00 Ellipticity -0.1726705E+01 Gb(Abramov) 0.5112397E-02 Vb(Abramov) -0.3756514E-02 Hb(Abramov) 0.1355883E-02 Ex_ueg -0.1058019E-02 Ec_ueg -0.2499979E-03 Delta_ex -0.1181213E-02 Delta_ec 0.4434492E-03 Delta_et -0.2844515E-02 Pxc 0.4232113E+01 Qxc -0.2663693E+01 3,+1 119 3 +1 1.336461 -2.208986 1.090271 Rho 0.3006401E-01 |GRAD(Rho)| 0.1079639E-14 GRAD(Rho)x 0.7375684E-15 GRAD(Rho)y -0.6310270E-15 GRAD(Rho)z -0.4726714E-15 Laplacian 0.1178471E+00 (-1/4)Del**2(Rho)) -0.2946177E-01 Diamond 0.1931670E-01 Metallicity 0.1699701E+01 Ellipticity -0.4234455E+01 Gb(Abramov) 0.2798722E-01 Vb(Abramov) -0.2651266E-01 Hb(Abramov) 0.1474557E-02 Ex_ueg -0.6904215E-02 Ec_ueg -0.1346910E-02 Delta_ex -0.7654638E-02 Delta_ec 0.1915552E-02 Delta_et -0.1768401E-01 Pxc 0.5125968E+01 Qxc -0.3996049E+01 3,+1 120 3 +3 0.010045 -0.043584 2.284349 Rho 0.4970723E-02 |GRAD(Rho)| 0.7972699E-16 GRAD(Rho)x 0.6984439E-17 GRAD(Rho)y -0.9708583E-17 GRAD(Rho)z -0.7882483E-16 Laplacian 0.2005478E-01 (-1/4)Del**2(Rho)) -0.5013696E-02 Diamond 0.1837389E-03 Metallicity 0.4974634E+00 Ellipticity -0.3501404E+00 Gb(Abramov) 0.3758152E-02 Vb(Abramov) -0.2502609E-02 Hb(Abramov) 0.1255543E-02 Ex_ueg -0.6265337E-03 Ec_ueg -0.1456531E-03 Delta_ex -0.7336879E-03 Delta_ec 0.1632191E-03 Delta_et -0.1074307E-02 Pxc 0.4301547E+01 Qxc -0.4495111E+01 3,+3 121 3 +1 0.177037 -0.192452 2.923201 Rho 0.5872426E-02 |GRAD(Rho)| 0.8933652E-14 GRAD(Rho)x -0.8465967E-14 GRAD(Rho)y -0.2043046E-15 GRAD(Rho)z -0.2845314E-14 Laplacian 0.2444365E-01 (-1/4)Del**2(Rho)) -0.6110912E-02 Diamond 0.6343684E-03 Metallicity 0.5388606E+00 Ellipticity -0.2185676E+01 Gb(Abramov) 0.4622763E-02 Vb(Abramov) -0.3134614E-02 Hb(Abramov) 0.1488149E-02 Ex_ueg -0.7824834E-03 Ec_ueg -0.1846479E-03 Delta_ex -0.1199148E-02 Delta_ec 0.6716208E-03 Delta_et -0.3866472E-02 Pxc 0.4237705E+01 Qxc -0.1785454E+01 3,+1 122 3 -1 3.049241 0.866594 -1.962720 Rho 0.1366123E+00 |GRAD(Rho)| 0.2089593E-12 GRAD(Rho)x -0.5483405E-13 GRAD(Rho)y -0.1524639E-12 GRAD(Rho)z -0.1319543E-12 Laplacian 0.5519495E+00 (-1/4)Del**2(Rho)) -0.1379874E+00 Diamond 0.1000325E+01 Metallicity 0.4524081E+01 Ellipticity 0.3227558E-01 Gb(Abramov) 0.1960359E+00 Vb(Abramov) -0.2540845E+00 Hb(Abramov) -0.5804855E-01 Ex_ueg -0.5196428E-01 Ec_ueg -0.7592099E-02 Delta_ex -0.5794276E-01 Delta_ec 0.1434123E-01 Delta_et -0.1883301E+00 Pxc 0.6844521E+01 Qxc -0.4040292E+01 3,-1 123 3 -1 -1.812602 0.471861 -2.825614 Rho 0.1279358E+00 |GRAD(Rho)| 0.3471427E-15 GRAD(Rho)x -0.2048193E-15 GRAD(Rho)y -0.2791414E-15 GRAD(Rho)z -0.2524158E-16 Laplacian 0.5313829E+00 (-1/4)Del**2(Rho)) -0.1328457E+00 Diamond 0.9012082E+00 Metallicity 0.4212360E+01 Ellipticity 0.1431327E-01 Gb(Abramov) 0.1818295E+00 Vb(Abramov) -0.2308132E+00 Hb(Abramov) -0.4898377E-01 Ex_ueg -0.4761104E-01 Ec_ueg -0.7046430E-02 Delta_ex -0.5504388E-01 Delta_ec 0.1427145E-01 Delta_et -0.1859038E+00 Pxc 0.6756760E+01 Qxc -0.3856924E+01 3,-1 124 3 -1 -3.036869 -0.943083 -2.055541 Rho 0.1271726E+00 |GRAD(Rho)| 0.2633942E-15 GRAD(Rho)x -0.3876023E-17 GRAD(Rho)y -0.2118260E-16 GRAD(Rho)z -0.2625125E-15 Laplacian 0.4866105E+00 (-1/4)Del**2(Rho)) -0.1216526E+00 Diamond 0.8234420E+00 Metallicity 0.4554294E+01 Ellipticity 0.2883353E-01 Gb(Abramov) 0.1734421E+00 Vb(Abramov) -0.2252315E+00 Hb(Abramov) -0.5178943E-01 Ex_ueg -0.4723275E-01 Ec_ueg -0.6998675E-02 Delta_ex -0.5038455E-01 Delta_ec 0.1317782E-01 Delta_et -0.1716445E+00 Pxc 0.6748813E+01 Qxc -0.3823434E+01 3,-1 125 3 +1 -2.878919 -0.278155 -0.266495 Rho 0.5856604E-02 |GRAD(Rho)| 0.1037699E-16 GRAD(Rho)x -0.2079009E-17 GRAD(Rho)y -0.7831071E-17 GRAD(Rho)z 0.6483369E-17 Laplacian 0.2425922E-01 (-1/4)Del**2(Rho)) -0.6064806E-02 Diamond 0.4892281E-03 Metallicity 0.5405211E+00 Ellipticity -0.1362112E+01 Gb(Abramov) 0.4589563E-02 Vb(Abramov) -0.3114321E-02 Hb(Abramov) 0.1475243E-02 Ex_ueg -0.7796737E-03 Ec_ueg -0.1839602E-03 Delta_ex -0.1085602E-02 Delta_ec 0.4811658E-03 Delta_et -0.2851954E-02 Pxc 0.4238274E+01 Qxc -0.2256192E+01 3,+1 126 3 -1 -2.778274 -0.531162 1.837438 Rho 0.1400784E+00 |GRAD(Rho)| 0.1029072E-15 GRAD(Rho)x -0.9852687E-17 GRAD(Rho)y 0.8299568E-16 GRAD(Rho)z -0.6003770E-16 Laplacian 0.5847986E+00 (-1/4)Del**2(Rho)) -0.1461996E+00 Diamond 0.1092541E+01 Metallicity 0.4452036E+01 Ellipticity 0.7729205E-02 Gb(Abramov) 0.2059475E+00 Vb(Abramov) -0.2656953E+00 Hb(Abramov) -0.5974781E-01 Ex_ueg -0.5372955E-01 Ec_ueg -0.7811444E-02 Delta_ex -0.6176951E-01 Delta_ec 0.1510838E-01 Delta_et -0.1991772E+00 Pxc 0.6878312E+01 Qxc -0.4088427E+01 3,-1 127 3 -1 -3.188840 -0.052229 3.246849 Rho 0.2457028E+00 |GRAD(Rho)| 0.4854849E-15 GRAD(Rho)x 0.4208873E-15 GRAD(Rho)y -0.1635248E-15 GRAD(Rho)z 0.1783513E-15 Laplacian 0.9018281E+00 (-1/4)Del**2(Rho)) -0.2254570E+00 Diamond 0.3267536E+01 Metallicity 0.7365001E+01 Ellipticity 0.1864071E-02 Gb(Abramov) 0.4270532E+00 Vb(Abramov) -0.6286495E+00 Hb(Abramov) -0.2015962E+00 Ex_ueg -0.1136576E+00 Ec_ueg -0.1483422E-01 Delta_ex -0.1095612E+00 Delta_ec 0.1965950E-01 Delta_et -0.2719532E+00 Pxc 0.7661852E+01 Qxc -0.5572937E+01 3,-1 128 3 -1 2.045473 0.836545 -2.989104 Rho 0.1454930E+00 |GRAD(Rho)| 0.4028805E-09 GRAD(Rho)x -0.2301887E-09 GRAD(Rho)y 0.2821498E-09 GRAD(Rho)z -0.1723871E-09 Laplacian 0.5692937E+00 (-1/4)Del**2(Rho)) -0.1423234E+00 Diamond 0.1116794E+01 Metallicity 0.4871699E+01 Ellipticity 0.4228967E-01 Gb(Abramov) 0.2104418E+00 Vb(Abramov) -0.2785601E+00 Hb(Abramov) -0.6811835E-01 Ex_ueg -0.5651643E-01 Ec_ueg -0.8155631E-02 Delta_ex -0.6072897E-01 Delta_ec 0.1463942E-01 Delta_et -0.1942280E+00 Pxc 0.6929743E+01 Qxc -0.4148319E+01 3,-1 129 3 -1 0.232939 -1.124133 -1.896535 Rho 0.6244961E-02 |GRAD(Rho)| 0.1725690E-16 GRAD(Rho)x 0.1377048E-16 GRAD(Rho)y 0.1391781E-18 GRAD(Rho)z -0.1039976E-16 Laplacian 0.2376680E-01 (-1/4)Del**2(Rho)) -0.5941699E-02 Diamond 0.8572641E-03 Metallicity 0.6140336E+00 Ellipticity 0.4969087E+00 Gb(Abramov) 0.4569200E-02 Vb(Abramov) -0.3196700E-02 Hb(Abramov) 0.1372499E-02 Ex_ueg -0.8493592E-03 Ec_ueg -0.2008758E-03 Delta_ex -0.1310129E-02 Delta_ec 0.8837096E-03 Delta_et -0.5076884E-02 Pxc 0.4228280E+01 Qxc -0.1482534E+01 3,-1 130 3 -1 -0.561124 1.718140 1.736586 Rho 0.4713589E-01 |GRAD(Rho)| 0.3326468E-13 GRAD(Rho)x 0.5228361E-14 GRAD(Rho)y -0.3105380E-13 GRAD(Rho)z -0.1071751E-13 Laplacian 0.1884213E+00 (-1/4)Del**2(Rho)) -0.4710532E-01 Diamond 0.8613993E-01 Metallicity 0.2249414E+01 Ellipticity 0.2418837E-01 Gb(Abramov) 0.4906344E-01 Vb(Abramov) -0.5102156E-01 Hb(Abramov) -0.1958121E-02 Ex_ueg -0.1257537E-01 Ec_ueg -0.2257179E-02 Delta_ex -0.1518729E-01 Delta_ec 0.5448883E-02 Delta_et -0.5653565E-01 Pxc 0.5571276E+01 Qxc -0.2787229E+01 3,-1 131 3 -1 -0.577612 1.746991 -2.751908 Rho 0.1510014E+00 |GRAD(Rho)| 0.3711106E-15 GRAD(Rho)x -0.2584196E-15 GRAD(Rho)y -0.2453007E-15 GRAD(Rho)z -0.1037785E-15 Laplacian 0.6485235E+00 (-1/4)Del**2(Rho)) -0.1621309E+00 Diamond 0.1314327E+01 Metallicity 0.4549766E+01 Ellipticity 0.2080841E-01 Gb(Abramov) 0.2310302E+00 Vb(Abramov) -0.2999295E+00 Hb(Abramov) -0.6889929E-01 Ex_ueg -0.5938722E-01 Ec_ueg -0.8507648E-02 Delta_ex -0.6965618E-01 Delta_ec 0.1624310E-01 Delta_et -0.2159981E+00 Pxc 0.6980451E+01 Qxc -0.4288354E+01 3,-1 132 3 +1 1.657062 0.458552 0.499760 Rho 0.7785827E-02 |GRAD(Rho)| 0.8214110E-14 GRAD(Rho)x 0.3152356E-14 GRAD(Rho)y 0.6666163E-14 GRAD(Rho)z -0.3618913E-14 Laplacian 0.2886043E-01 (-1/4)Del**2(Rho)) -0.7215107E-02 Diamond 0.6274198E-03 Metallicity 0.7302725E+00 Ellipticity -0.1386441E+01 Gb(Abramov) 0.5688237E-02 Vb(Abramov) -0.4161367E-02 Hb(Abramov) 0.1526870E-02 Ex_ueg -0.1139702E-02 Ec_ueg -0.2687003E-03 Delta_ex -0.1261601E-02 Delta_ec 0.3628652E-03 Delta_et -0.2453487E-02 Pxc 0.4241537E+01 Qxc -0.3476775E+01 3,+1 133 3 -1 1.783635 -2.831740 -0.610900 Rho 0.2055055E+00 |GRAD(Rho)| 0.3007513E-15 GRAD(Rho)x 0.1530893E-15 GRAD(Rho)y 0.8799656E-16 GRAD(Rho)z 0.2434576E-15 Laplacian 0.8005114E+00 (-1/4)Del**2(Rho)) -0.2001278E+00 Diamond 0.2326087E+01 Metallicity 0.6160529E+01 Ellipticity 0.5498581E-02 Gb(Abramov) 0.3389008E+00 Vb(Abramov) -0.4776737E+00 Hb(Abramov) -0.1387729E+00 Ex_ueg -0.8956732E-01 Ec_ueg -0.1208729E-01 Delta_ex -0.9275968E-01 Delta_ec 0.1821826E-01 Delta_et -0.2492799E+00 Pxc 0.7410042E+01 Qxc -0.5091579E+01 3,-1 134 3 -1 1.953284 -3.019722 0.831678 Rho 0.1275852E+00 |GRAD(Rho)| 0.2825798E-15 GRAD(Rho)x 0.1821392E-15 GRAD(Rho)y -0.1177240E-15 GRAD(Rho)z -0.1811566E-15 Laplacian 0.4950192E+00 (-1/4)Del**2(Rho)) -0.1237548E+00 Diamond 0.8344661E+00 Metallicity 0.4501167E+01 Ellipticity 0.2477706E-01 Gb(Abramov) 0.1753434E+00 Vb(Abramov) -0.2269320E+00 Hb(Abramov) -0.5158858E-01 Ex_ueg -0.4743719E-01 Ec_ueg -0.7024491E-02 Delta_ex -0.5121490E-01 Delta_ec 0.1325251E-01 Delta_et -0.1724604E+00 Pxc 0.6753115E+01 Qxc -0.3864544E+01 3,-1 135 3 -1 -3.216940 3.157349 -0.072699 Rho 0.2422164E+00 |GRAD(Rho)| 0.4089817E-15 GRAD(Rho)x 0.2939272E-15 GRAD(Rho)y -0.2302845E-15 GRAD(Rho)z 0.1668587E-15 Laplacian 0.8876190E+00 (-1/4)Del**2(Rho)) -0.2219048E+00 Diamond 0.3166926E+01 Metallicity 0.7306775E+01 Ellipticity 0.8144770E-02 Gb(Abramov) 0.4181712E+00 Vb(Abramov) -0.6144376E+00 Hb(Abramov) -0.1962664E+00 Ex_ueg -0.1115124E+00 Ec_ueg -0.1459246E-01 Delta_ex -0.1074622E+00 Delta_ec 0.1948664E-01 Delta_et -0.2697009E+00 Pxc 0.7641780E+01 Qxc -0.5514660E+01 3,-1 136 3 -1 -1.836504 -1.719335 -0.558436 Rho 0.5344833E-01 |GRAD(Rho)| 0.1586963E-15 GRAD(Rho)x 0.6735267E-16 GRAD(Rho)y 0.1125351E-15 GRAD(Rho)z -0.8935308E-16 Laplacian 0.2154584E+00 (-1/4)Del**2(Rho)) -0.5386461E-01 Diamond 0.1186393E+00 Metallicity 0.2425530E+01 Ellipticity 0.2373487E-01 Gb(Abramov) 0.5768477E-01 Vb(Abramov) -0.6150494E-01 Hb(Abramov) -0.3820165E-02 Ex_ueg -0.1486953E-01 Ec_ueg -0.2606353E-02 Delta_ex -0.1799860E-01 Delta_ec 0.6349832E-02 Delta_et -0.6810458E-01 Pxc 0.5705110E+01 Qxc -0.2834500E+01 3,-1 137 3 -1 -2.823086 -1.766060 0.579950 Rho 0.1391918E+00 |GRAD(Rho)| 0.1026876E-15 GRAD(Rho)x 0.2304268E-16 GRAD(Rho)y -0.8727827E-16 GRAD(Rho)z -0.4895173E-16 Laplacian 0.5859244E+00 (-1/4)Del**2(Rho)) -0.1464811E+00 Diamond 0.1083554E+01 Metallicity 0.4396708E+01 Ellipticity 0.1228702E-01 Gb(Abramov) 0.2049932E+00 Vb(Abramov) -0.2635052E+00 Hb(Abramov) -0.5851207E-01 Ex_ueg -0.5327661E-01 Ec_ueg -0.7755264E-02 Delta_ex -0.6176234E-01 Delta_ec 0.1510639E-01 Delta_et -0.1988472E+00 Pxc 0.6869734E+01 Qxc -0.4088492E+01 3,-1 138 3 -1 -0.264350 -1.273826 -3.371025 Rho 0.4269623E-02 |GRAD(Rho)| 0.6869889E-17 GRAD(Rho)x 0.1167873E-17 GRAD(Rho)y 0.6261718E-17 GRAD(Rho)z 0.2573392E-17 Laplacian 0.1624904E-01 (-1/4)Del**2(Rho)) -0.4062261E-02 Diamond 0.4696288E-03 Metallicity 0.4765420E+00 Ellipticity 0.1788447E+00 Gb(Abramov) 0.3030814E-02 Vb(Abramov) -0.1999366E-02 Hb(Abramov) 0.1031447E-02 Ex_ueg -0.5115693E-03 Ec_ueg -0.1156184E-03 Delta_ex -0.9709217E-03 Delta_ec 0.8455227E-03 Delta_et -0.4241965E-02 Pxc 0.4424636E+01 Qxc -0.1148309E+01 3,-1 139 3 -1 -0.080422 -3.205020 3.196007 Rho 0.2455295E+00 |GRAD(Rho)| 0.7091648E-15 GRAD(Rho)x -0.2296340E-15 GRAD(Rho)y -0.3562688E-15 GRAD(Rho)z 0.5685556E-15 Laplacian 0.9020557E+00 (-1/4)Del**2(Rho)) -0.2255139E+00 Diamond 0.3265863E+01 Metallicity 0.7354489E+01 Ellipticity 0.1721298E-02 Gb(Abramov) 0.4267659E+00 Vb(Abramov) -0.6280179E+00 Hb(Abramov) -0.2012520E+00 Ex_ueg -0.1135507E+00 Ec_ueg -0.1482219E-01 Delta_ex -0.1095700E+00 Delta_ec 0.1967119E-01 Delta_et -0.2721219E+00 Pxc 0.7660861E+01 Qxc -0.5570073E+01 3,-1 140 3 -1 1.960784 -0.865298 2.998379 Rho 0.1424155E+00 |GRAD(Rho)| 0.1626619E-12 GRAD(Rho)x 0.1046882E-12 GRAD(Rho)y 0.1096835E-12 GRAD(Rho)z -0.5889671E-13 Laplacian 0.5570314E+00 (-1/4)Del**2(Rho)) -0.1392579E+00 Diamond 0.1063876E+01 Metallicity 0.4804654E+01 Ellipticity 0.4154632E-01 Gb(Abramov) 0.2043529E+00 Vb(Abramov) -0.2694479E+00 Hb(Abramov) -0.6509501E-01 Ex_ueg -0.5492811E-01 Ec_ueg -0.7959777E-02 Delta_ex -0.5909916E-01 Delta_ec 0.1437721E-01 Delta_et -0.1901018E+00 Pxc 0.6900709E+01 Qxc -0.4110615E+01 3,-1 141 3 -1 0.099095 -1.964155 -1.025228 Rho 0.8057387E-02 |GRAD(Rho)| 0.7619532E-17 GRAD(Rho)x 0.6795322E-17 GRAD(Rho)y -0.2926499E-17 GRAD(Rho)z 0.1821121E-17 Laplacian 0.2999440E-01 (-1/4)Del**2(Rho)) -0.7498601E-02 Diamond 0.1495216E-02 Metallicity 0.7439836E+00 Ellipticity 0.4618681E+00 Gb(Abramov) 0.5928873E-02 Vb(Abramov) -0.4359145E-02 Hb(Abramov) 0.1569728E-02 Ex_ueg -0.1193010E-02 Ec_ueg -0.2807679E-03 Delta_ex -0.1721790E-02 Delta_ec 0.1089606E-02 Delta_et -0.6770645E-02 Pxc 0.4249097E+01 Qxc -0.1580194E+01 3,-1 142 3 -1 0.516048 -1.759873 1.708351 Rho 0.5101968E-01 |GRAD(Rho)| 0.5830925E-14 GRAD(Rho)x -0.4309536E-14 GRAD(Rho)y 0.6605739E-15 GRAD(Rho)z 0.3871851E-14 Laplacian 0.2065808E+00 (-1/4)Del**2(Rho)) -0.5164520E-01 Diamond 0.1058238E+00 Metallicity 0.2341097E+01 Ellipticity 0.6244975E-02 Gb(Abramov) 0.5458120E-01 Vb(Abramov) -0.5751721E-01 Hb(Abramov) -0.2936002E-02 Ex_ueg -0.1397554E-01 Ec_ueg -0.2471315E-02 Delta_ex -0.1701489E-01 Delta_ec 0.6018652E-02 Delta_et -0.6375938E-01 Pxc 0.5655104E+01 Qxc -0.2827027E+01 3,-1 143 3 -1 0.824404 -1.983406 2.997212 Rho 0.1378390E+00 |GRAD(Rho)| 0.2799680E-15 GRAD(Rho)x -0.1708567E-15 GRAD(Rho)y 0.3099463E-16 GRAD(Rho)z 0.2196119E-15 Laplacian 0.5440565E+00 (-1/4)Del**2(Rho)) -0.1360141E+00 Diamond 0.9963261E+00 Metallicity 0.4658607E+01 Ellipticity 0.3533037E-01 Gb(Abramov) 0.1962821E+00 Vb(Abramov) -0.2565501E+00 Hb(Abramov) -0.6026801E-01 Ex_ueg -0.5258734E-01 Ec_ueg -0.7669639E-02 Delta_ex -0.5723449E-01 Delta_ec 0.1409881E-01 Delta_et -0.1853879E+00 Pxc 0.6856560E+01 Qxc -0.4059527E+01 3,-1 144 3 -1 2.765884 0.546877 1.803070 Rho 0.1357301E+00 |GRAD(Rho)| 0.1939446E-15 GRAD(Rho)x 0.1749292E-16 GRAD(Rho)y -0.1263502E-15 GRAD(Rho)z 0.1460962E-15 Laplacian 0.5704241E+00 (-1/4)Del**2(Rho)) -0.1426060E+00 Diamond 0.1026669E+01 Metallicity 0.4330544E+01 Ellipticity 0.9463815E-02 Gb(Abramov) 0.1979976E+00 Vb(Abramov) -0.2533892E+00 Hb(Abramov) -0.5539160E-01 Ex_ueg -0.5151734E-01 Ec_ueg -0.7536393E-02 Delta_ex -0.5979813E-01 Delta_ec 0.1486229E-01 Delta_et -0.1950117E+00 Pxc 0.6835808E+01 Qxc -0.4023481E+01 3,-1 145 3 +3 2.279328 -0.016059 0.032031 Rho 0.4670780E-02 |GRAD(Rho)| 0.9377806E-16 GRAD(Rho)x -0.6659798E-16 GRAD(Rho)y -0.4272542E-16 GRAD(Rho)z 0.5033461E-16 Laplacian 0.1871258E-01 (-1/4)Del**2(Rho)) -0.4678146E-02 Diamond 0.1557441E-03 Metallicity 0.4806125E+00 Ellipticity -0.3558740E+00 Gb(Abramov) 0.3493493E-02 Vb(Abramov) -0.2308841E-02 Hb(Abramov) 0.1184653E-02 Ex_ueg -0.5766393E-03 Ec_ueg -0.1327727E-03 Delta_ex -0.6717434E-03 Delta_ec 0.1490611E-03 Delta_et -0.9723253E-03 Pxc 0.4343055E+01 Qxc -0.4506496E+01 3,+3 146 3 -1 -3.009158 1.977328 0.892599 Rho 0.1361644E+00 |GRAD(Rho)| 0.5517002E-12 GRAD(Rho)x -0.2277628E-12 GRAD(Rho)y -0.2723149E-12 GRAD(Rho)z 0.4223054E-12 Laplacian 0.5279292E+00 (-1/4)Del**2(Rho)) -0.1319823E+00 Diamond 0.9599024E+00 Metallicity 0.4704101E+01 Ellipticity 0.3499636E-01 Gb(Abramov) 0.1914646E+00 Vb(Abramov) -0.2509468E+00 Hb(Abramov) -0.5948226E-01 Ex_ueg -0.5173722E-01 Ec_ueg -0.7563807E-02 Delta_ex -0.5545496E-01 Delta_ec 0.1386719E-01 Delta_et -0.1822902E+00 Pxc 0.6840103E+01 Qxc -0.3999005E+01 3,-1 147 3 -1 -1.797211 2.744894 -0.547918 Rho 0.1303560E+00 |GRAD(Rho)| 0.2055320E-14 GRAD(Rho)x -0.1341131E-14 GRAD(Rho)y -0.7200458E-16 GRAD(Rho)z 0.1555803E-14 Laplacian 0.5396427E+00 (-1/4)Del**2(Rho)) -0.1349107E+00 Diamond 0.9276410E+00 Metallicity 0.4279488E+01 Ellipticity 0.1070251E-01 Gb(Abramov) 0.1861652E+00 Vb(Abramov) -0.2374197E+00 Hb(Abramov) -0.5125454E-01 Ex_ueg -0.4881572E-01 Ec_ueg -0.7198139E-02 Delta_ex -0.5605022E-01 Delta_ec 0.1424862E-01 Delta_et -0.1858568E+00 Pxc 0.6781713E+01 Qxc -0.3933729E+01 3,-1 148 3 -1 -1.874206 -2.735144 0.590234 Rho 0.1230726E+00 |GRAD(Rho)| 0.4168516E-15 GRAD(Rho)x -0.3211678E-15 GRAD(Rho)y 0.2059645E-16 GRAD(Rho)z -0.2649384E-15 Laplacian 0.5117450E+00 (-1/4)Del**2(Rho)) -0.1279362E+00 Diamond 0.8205561E+00 Metallicity 0.4100424E+01 Ellipticity 0.2470408E-01 Gb(Abramov) 0.1727230E+00 Vb(Abramov) -0.2175097E+00 Hb(Abramov) -0.4478672E-01 Ex_ueg -0.4521339E-01 Ec_ueg -0.6742780E-02 Delta_ex -0.5241928E-01 Delta_ec 0.1368784E-01 Delta_et -0.1768163E+00 Pxc 0.6705452E+01 Qxc -0.3829624E+01 3,-1 149 3 -1 -0.609031 -0.537783 -0.542911 Rho 0.2020360E+00 |GRAD(Rho)| 0.3687116E-11 GRAD(Rho)x 0.2273147E-11 GRAD(Rho)y 0.2012600E-11 GRAD(Rho)z 0.2092145E-11 Laplacian 0.8295069E+00 (-1/4)Del**2(Rho)) -0.2073767E+00 Diamond 0.2795317E+01 Metallicity 0.5778848E+01 Ellipticity 0.4765672E-01 Gb(Abramov) 0.3379842E+00 Vb(Abramov) -0.4685917E+00 Hb(Abramov) -0.1306075E+00 Ex_ueg -0.8755686E-01 Ec_ueg -0.1185438E-01 Delta_ex -0.9860529E-01 Delta_ec 0.2415473E-01 Delta_et -0.3486969E+00 Pxc 0.7386032E+01 Qxc -0.4082236E+01 3,-1 150 3 -1 -0.040810 0.028372 2.915505 Rho 0.5971396E-02 |GRAD(Rho)| 0.2569696E-17 GRAD(Rho)x -0.1205196E-17 GRAD(Rho)y -0.1361295E-18 GRAD(Rho)z 0.2265460E-17 Laplacian 0.2404153E-01 (-1/4)Del**2(Rho)) -0.6010383E-02 Diamond 0.8166232E-03 Metallicity 0.5633489E+00 Ellipticity 0.2239128E+01 Gb(Abramov) 0.4571246E-02 Vb(Abramov) -0.3132109E-02 Hb(Abramov) 0.1439137E-02 Ex_ueg -0.8001158E-03 Ec_ueg -0.1889525E-03 Delta_ex -0.1314304E-02 Delta_ec 0.8940995E-03 Delta_et -0.5067039E-02 Pxc 0.4234481E+01 Qxc -0.1469975E+01 3,-1 151 3 -1 0.863563 1.933945 -2.974677 Rho 0.1291807E+00 |GRAD(Rho)| 0.6485490E-16 GRAD(Rho)x -0.1889222E-16 GRAD(Rho)y 0.3674768E-16 GRAD(Rho)z 0.4998850E-16 Laplacian 0.5073135E+00 (-1/4)Del**2(Rho)) -0.1268284E+00 Diamond 0.8586193E+00 Metallicity 0.4484003E+01 Ellipticity 0.3535119E-01 Gb(Abramov) 0.1793354E+00 Vb(Abramov) -0.2318424E+00 Hb(Abramov) -0.5250702E-01 Ex_ueg -0.4822976E-01 Ec_ueg -0.7124417E-02 Delta_ex -0.5252884E-01 Delta_ec 0.1333691E-01 Delta_et -0.1735471E+00 Pxc 0.6769642E+01 Qxc -0.3938606E+01 3,-1 152 3 -1 0.851231 2.940257 -1.980897 Rho 0.1344090E+00 |GRAD(Rho)| 0.3337726E-15 GRAD(Rho)x 0.3222249E-15 GRAD(Rho)y -0.8002090E-16 GRAD(Rho)z 0.3423368E-16 Laplacian 0.5279456E+00 (-1/4)Del**2(Rho)) -0.1319864E+00 Diamond 0.9399167E+00 Metallicity 0.4603322E+01 Ellipticity 0.3838084E-01 Gb(Abramov) 0.1892536E+00 Vb(Abramov) -0.2465208E+00 Hb(Abramov) -0.5726719E-01 Ex_ueg -0.5084985E-01 Ec_ueg -0.7453067E-02 Delta_ex -0.5522335E-01 Delta_ec 0.1380452E-01 Delta_et -0.1808872E+00 Pxc 0.6822674E+01 Qxc -0.4000383E+01 3,-1 153 3 -1 3.155335 -3.241361 -0.107445 Rho 0.2407123E+00 |GRAD(Rho)| 0.6597114E-15 GRAD(Rho)x 0.3987696E-15 GRAD(Rho)y -0.5200918E-15 GRAD(Rho)z -0.7554179E-16 Laplacian 0.8897205E+00 (-1/4)Del**2(Rho)) -0.2224301E+00 Diamond 0.3142951E+01 Metallicity 0.7214232E+01 Ellipticity 0.1407606E-01 Gb(Abramov) 0.4157305E+00 Vb(Abramov) -0.6090309E+00 Hb(Abramov) -0.1933004E+00 Ex_ueg -0.1105901E+00 Ec_ueg -0.1448837E-01 Delta_ex -0.1075001E+00 Delta_ec 0.1949559E-01 Delta_et -0.2694462E+00 Pxc 0.7633025E+01 Qxc -0.5514075E+01 3,-1 154 3 -1 2.774121 -1.813116 -0.582511 Rho 0.1361385E+00 |GRAD(Rho)| 0.1392318E-14 GRAD(Rho)x -0.5510729E-15 GRAD(Rho)y 0.1185562E-14 GRAD(Rho)z -0.4788650E-15 Laplacian 0.5605199E+00 (-1/4)Del**2(Rho)) -0.1401300E+00 Diamond 0.1011755E+01 Metallicity 0.4429182E+01 Ellipticity 0.1505825E-01 Gb(Abramov) 0.1968635E+00 Vb(Abramov) -0.2535970E+00 Hb(Abramov) -0.5673353E-01 Ex_ueg -0.5172409E-01 Ec_ueg -0.7562170E-02 Delta_ex -0.5879434E-01 Delta_ec 0.1457877E-01 Delta_et -0.1913515E+00 Pxc 0.6839847E+01 Qxc -0.4032875E+01 3,-1 155 3 -1 -1.734015 0.546523 1.756345 Rho 0.4898690E-01 |GRAD(Rho)| 0.1140787E-13 GRAD(Rho)x -0.3624335E-15 GRAD(Rho)y 0.8463298E-14 GRAD(Rho)z -0.7640722E-14 Laplacian 0.1960365E+00 (-1/4)Del**2(Rho)) -0.4900912E-01 Diamond 0.9471164E-01 Metallicity 0.2305382E+01 Ellipticity 0.9268615E-02 Gb(Abramov) 0.5150354E-01 Vb(Abramov) -0.5399796E-01 Hb(Abramov) -0.2494419E-02 Ex_ueg -0.1323808E-01 Ec_ueg -0.2358951E-02 Delta_ex -0.1596755E-01 Delta_ec 0.5688800E-02 Delta_et -0.5962605E-01 Pxc 0.5611852E+01 Qxc -0.2806839E+01 3,-1 156 3 -1 -1.981532 0.873482 3.039861 Rho 0.1417984E+00 |GRAD(Rho)| 0.4026079E-13 GRAD(Rho)x -0.1036337E-13 GRAD(Rho)y 0.3883631E-13 GRAD(Rho)z 0.2296286E-14 Laplacian 0.5577540E+00 (-1/4)Del**2(Rho)) -0.1394385E+00 Diamond 0.1058325E+01 Metallicity 0.4763827E+01 Ellipticity 0.4246199E-01 Gb(Abramov) 0.2036691E+00 Vb(Abramov) -0.2678998E+00 Hb(Abramov) -0.6423065E-01 Ex_ueg -0.5461100E-01 Ec_ueg -0.7920578E-02 Delta_ex -0.5909829E-01 Delta_ec 0.1438451E-01 Delta_et -0.1900188E+00 Pxc 0.6894825E+01 Qxc -0.4108469E+01 3,-1 157 3 -1 -0.859610 1.996614 3.019221 Rho 0.1397478E+00 |GRAD(Rho)| 0.2639701E-12 GRAD(Rho)x -0.1870909E-12 GRAD(Rho)y -0.1315449E-12 GRAD(Rho)z 0.1318072E-12 Laplacian 0.5505530E+00 (-1/4)Del**2(Rho)) -0.1376383E+00 Diamond 0.1028808E+01 Metallicity 0.4710380E+01 Ellipticity 0.3781648E-01 Gb(Abramov) 0.1998136E+00 Vb(Abramov) -0.2619889E+00 Hb(Abramov) -0.6217532E-01 Ex_ueg -0.5356058E-01 Ec_ueg -0.7790494E-02 Delta_ex -0.5815348E-01 Delta_ec 0.1429360E-01 Delta_et -0.1884968E+00 Pxc 0.6875119E+01 Qxc -0.4068497E+01 3,-1 158 3 +1 -1.333723 2.157544 1.163901 Rho 0.2936200E-01 |GRAD(Rho)| 0.5608403E-16 GRAD(Rho)x -0.1265382E-16 GRAD(Rho)y 0.5210814E-16 GRAD(Rho)z 0.1643292E-16 Laplacian 0.1147591E+00 (-1/4)Del**2(Rho)) -0.2868977E-01 Diamond 0.1885488E-01 Metallicity 0.1678039E+01 Ellipticity -0.5376909E+01 Gb(Abramov) 0.2715027E-01 Vb(Abramov) -0.2561077E-01 Hb(Abramov) 0.1539497E-02 Ex_ueg -0.6690098E-02 Ec_ueg -0.1310745E-02 Delta_ex -0.7463130E-02 Delta_ec 0.1966703E-02 Delta_et -0.1804517E-01 Pxc 0.5104041E+01 Qxc -0.3794742E+01 3,+1 159 3 -1 -0.076161 3.126892 -3.182068 Rho 0.2459033E+00 |GRAD(Rho)| 0.6399501E-15 GRAD(Rho)x 0.1348205E-15 GRAD(Rho)y -0.4438724E-15 GRAD(Rho)z 0.4408366E-15 Laplacian 0.9047332E+00 (-1/4)Del**2(Rho)) -0.2261833E+00 Diamond 0.3277942E+01 Metallicity 0.7351339E+01 Ellipticity 0.2846301E-02 Gb(Abramov) 0.4279139E+00 Vb(Abramov) -0.6296445E+00 Hb(Abramov) -0.2017306E+00 Ex_ueg -0.1137813E+00 Ec_ueg -0.1484814E-01 Delta_ex -0.1099204E+00 Delta_ec 0.1968725E-01 Delta_et -0.2722017E+00 Pxc 0.7662997E+01 Qxc -0.5583328E+01 3,-1 160 3 -1 0.027841 2.926951 -0.005441 Rho 0.6160174E-02 |GRAD(Rho)| 0.1912997E-15 GRAD(Rho)x 0.1412762E-16 GRAD(Rho)y -0.1905172E-15 GRAD(Rho)z -0.9960083E-17 Laplacian 0.2459631E-01 (-1/4)Del**2(Rho)) -0.6149077E-02 Diamond 0.8900812E-03 Metallicity 0.5799602E+00 Ellipticity 0.1487210E+01 Gb(Abramov) 0.4693755E-02 Vb(Abramov) -0.3238432E-02 Hb(Abramov) 0.1455322E-02 Ex_ueg -0.8340185E-03 Ec_ueg -0.1971765E-03 Delta_ex -0.1365778E-02 Delta_ec 0.9384711E-03 Delta_et -0.5361180E-02 Pxc 0.4229808E+01 Qxc -0.1455323E+01 3,-1 161 3 -1 0.071674 3.196537 3.200842 Rho 0.2451889E+00 |GRAD(Rho)| 0.3071781E-15 GRAD(Rho)x -0.1491320E-15 GRAD(Rho)y -0.2094679E-15 GRAD(Rho)z 0.1680513E-15 Laplacian 0.8981755E+00 (-1/4)Del**2(Rho)) -0.2245439E+00 Diamond 0.3249213E+01 Metallicity 0.7369191E+01 Ellipticity 0.5083448E-02 Gb(Abramov) 0.4254804E+00 Vb(Abramov) -0.6264169E+00 Hb(Abramov) -0.2009365E+00 Ex_ueg -0.1133407E+00 Ec_ueg -0.1479854E-01 Delta_ex -0.1090736E+00 Delta_ec 0.1962088E-01 Delta_et -0.2715357E+00 Pxc 0.7658913E+01 Qxc -0.5559059E+01 3,-1 162 3 -1 3.184626 3.211326 0.089467 Rho 0.2469323E+00 |GRAD(Rho)| 0.8399799E-14 GRAD(Rho)x 0.2805265E-14 GRAD(Rho)y 0.7696209E-14 GRAD(Rho)z -0.1858892E-14 Laplacian 0.8946604E+00 (-1/4)Del**2(Rho)) -0.2236651E+00 Diamond 0.3272701E+01 Metallicity 0.7486027E+01 Ellipticity 0.3060726E-02 Gb(Abramov) 0.4281705E+00 Vb(Abramov) -0.6326760E+00 Hb(Abramov) -0.2045055E+00 Ex_ueg -0.1144166E+00 Ec_ueg -0.1491964E-01 Delta_ex -0.1088922E+00 Delta_ec 0.1958005E-01 Delta_et -0.2713754E+00 Pxc 0.7668856E+01 Qxc -0.5561385E+01 3,-1 163 3 -1 -3.285885 0.081934 -3.179352 Rho 0.2367294E+00 |GRAD(Rho)| 0.1067887E-14 GRAD(Rho)x 0.6817463E-15 GRAD(Rho)y -0.4208602E-15 GRAD(Rho)z 0.7060325E-15 Laplacian 0.8762751E+00 (-1/4)Del**2(Rho)) -0.2190688E+00 Diamond 0.3039240E+01 Metallicity 0.7124040E+01 Ellipticity 0.2165408E-01 Gb(Abramov) 0.4061550E+00 Vb(Abramov) -0.5932412E+00 Hb(Abramov) -0.1870862E+00 Ex_ueg -0.1081570E+00 Ec_ueg -0.1421332E-01 Delta_ex -0.1054439E+00 Delta_ec 0.1934789E-01 Delta_et -0.2674864E+00 Pxc 0.7609553E+01 Qxc -0.5449891E+01 3,-1 164 3 -1 -2.993103 0.878669 2.048929 Rho 0.1414863E+00 |GRAD(Rho)| 0.2373448E-15 GRAD(Rho)x 0.9471861E-16 GRAD(Rho)y -0.1675906E-15 GRAD(Rho)z 0.1388321E-15 Laplacian 0.5587481E+00 (-1/4)Del**2(Rho)) -0.1396870E+00 Diamond 0.1054923E+01 Metallicity 0.4737920E+01 Ellipticity 0.4899773E-01 Gb(Abramov) 0.2034290E+00 Vb(Abramov) -0.2671710E+00 Hb(Abramov) -0.6374197E-01 Ex_ueg -0.5445079E-01 Ec_ueg -0.7900761E-02 Delta_ex -0.5914506E-01 Delta_ec 0.1437011E-01 Delta_et -0.1896653E+00 Pxc 0.6891841E+01 Qxc -0.4115839E+01 3,-1 165 3 -1 -1.993528 2.958112 0.857277 Rho 0.1185964E+00 |GRAD(Rho)| 0.8925326E-13 GRAD(Rho)x 0.5482882E-13 GRAD(Rho)y 0.3056045E-13 GRAD(Rho)z 0.6345080E-13 Laplacian 0.4717868E+00 (-1/4)Del**2(Rho)) -0.1179467E+00 Diamond 0.7198297E+00 Metallicity 0.4181382E+01 Ellipticity 0.1780963E-01 Gb(Abramov) 0.1608278E+00 Vb(Abramov) -0.2037090E+00 Hb(Abramov) -0.4288113E-01 Ex_ueg -0.4303419E-01 Ec_ueg -0.6464719E-02 Delta_ex -0.4785089E-01 Delta_ec 0.1263876E-01 Delta_et -0.1620696E+00 Pxc 0.6656777E+01 Qxc -0.3786044E+01 3,-1 166 3 +3 -0.312941 -0.620321 -2.822631 Rho 0.3195616E-02 |GRAD(Rho)| 0.8800923E-16 GRAD(Rho)x -0.4688541E-16 GRAD(Rho)y 0.1642455E-16 GRAD(Rho)z 0.7264721E-16 Laplacian 0.1257863E-01 (-1/4)Del**2(Rho)) -0.3144657E-02 Diamond 0.1050640E-03 Metallicity 0.3798140E+00 Ellipticity -0.4276809E+00 Gb(Abramov) 0.2295502E-02 Vb(Abramov) -0.1446347E-02 Hb(Abramov) 0.8491548E-03 Ex_ueg -0.3476358E-03 Ec_ueg -0.7010888E-04 Delta_ex -0.4812911E-03 Delta_ec 0.2281624E-03 Delta_et -0.1152243E-02 Pxc 0.4958513E+01 Qxc -0.2109423E+01 3,+3 167 3 +1 2.137731 -1.408008 1.084542 Rho 0.2808751E-01 |GRAD(Rho)| 0.1701099E-14 GRAD(Rho)x 0.7329853E-15 GRAD(Rho)y -0.1234755E-14 GRAD(Rho)z -0.9120592E-15 Laplacian 0.1078587E+00 (-1/4)Del**2(Rho)) -0.2696468E-01 Diamond 0.1587703E-01 Metallicity 0.1658110E+01 Ellipticity -0.3734657E+01 Gb(Abramov) 0.2542819E-01 Vb(Abramov) -0.2389170E-01 Hb(Abramov) 0.1536494E-02 Ex_ueg -0.6305740E-02 Ec_ueg -0.1245387E-02 Delta_ex -0.6857384E-02 Delta_ec 0.1716776E-02 Delta_et -0.1560420E-01 Pxc 0.5063276E+01 Qxc -0.3994338E+01 3,+1 168 3 -1 0.549232 2.781669 1.796748 Rho 0.1370283E+00 |GRAD(Rho)| 0.6670492E-13 GRAD(Rho)x -0.4297456E-13 GRAD(Rho)y -0.1353267E-13 GRAD(Rho)z 0.4918943E-13 Laplacian 0.5747055E+00 (-1/4)Del**2(Rho)) -0.1436764E+00 Diamond 0.1050169E+01 Metallicity 0.4367017E+01 Ellipticity 0.1050526E-01 Gb(Abramov) 0.2003571E+00 Vb(Abramov) -0.2570378E+00 Hb(Abramov) -0.5668073E-01 Ex_ueg -0.5217535E-01 Ec_ueg -0.7618382E-02 Delta_ex -0.6043003E-01 Delta_ec 0.1501765E-01 Delta_et -0.1974994E+00 Pxc 0.6848613E+01 Qxc -0.4023935E+01 3,-1 169 3 -1 1.763179 0.533559 -1.742676 Rho 0.4377940E-01 |GRAD(Rho)| 0.7945572E-16 GRAD(Rho)x 0.3552202E-16 GRAD(Rho)y -0.1834853E-16 GRAD(Rho)z -0.6866388E-16 Laplacian 0.1741549E+00 (-1/4)Del**2(Rho)) -0.4353873E-01 Diamond 0.7160899E-01 Metallicity 0.2151760E+01 Ellipticity 0.1394350E-01 Gb(Abramov) 0.4463997E-01 Vb(Abramov) -0.4574121E-01 Hb(Abramov) -0.1101239E-02 Ex_ueg -0.1139580E-01 Ec_ueg -0.2074023E-02 Delta_ex -0.1375842E-01 Delta_ec 0.5002499E-02 Delta_et -0.5089955E-01 Pxc 0.5494539E+01 Qxc -0.2750309E+01 3,-1 170 3 +1 1.671884 -0.525714 -0.504049 Rho 0.8357351E-02 |GRAD(Rho)| 0.4500174E-15 GRAD(Rho)x -0.8642712E-16 GRAD(Rho)y -0.2432529E-15 GRAD(Rho)z 0.3686110E-15 Laplacian 0.3044814E-01 (-1/4)Del**2(Rho)) -0.7612036E-02 Diamond 0.7028340E-03 Metallicity 0.7789329E+00 Ellipticity -0.1392970E+01 Gb(Abramov) 0.6062901E-02 Vb(Abramov) -0.4513767E-02 Hb(Abramov) 0.1549134E-02 Ex_ueg -0.1252593E-02 Ec_ueg -0.2941364E-03 Delta_ex -0.1343123E-02 Delta_ec 0.3608983E-03 Delta_et -0.2503980E-02 Pxc 0.4258543E+01 Qxc -0.3721611E+01 3,+1 171 3 -1 -2.786926 1.766529 -0.529073 Rho 0.1896120E+00 |GRAD(Rho)| 0.3371013E-15 GRAD(Rho)x 0.1260656E-15 GRAD(Rho)y -0.2600459E-15 GRAD(Rho)z -0.1735537E-15 Laplacian 0.7819659E+00 (-1/4)Del**2(Rho)) -0.1954915E+00 Diamond 0.2062681E+01 Metallicity 0.5514865E+01 Ellipticity 0.1658725E-01 Gb(Abramov) 0.3100125E+00 Vb(Abramov) -0.4245335E+00 Hb(Abramov) -0.1145210E+00 Ex_ueg -0.8045247E-01 Ec_ueg -0.1102587E-01 Delta_ex -0.8876392E-01 Delta_ec 0.1819485E-01 Delta_et -0.2474274E+00 Pxc 0.7296699E+01 Qxc -0.4878520E+01 3,-1 172 3 -1 1.704183 -0.595196 1.710469 Rho 0.4321977E-01 |GRAD(Rho)| 0.2631387E-14 GRAD(Rho)x 0.1869276E-14 GRAD(Rho)y 0.1718264E-14 GRAD(Rho)z 0.6910650E-15 Laplacian 0.1718683E+00 (-1/4)Del**2(Rho)) -0.4296707E-01 Diamond 0.6936013E-01 Metallicity 0.2134133E+01 Ellipticity 0.2692312E-01 Gb(Abramov) 0.4392762E-01 Vb(Abramov) -0.4488817E-01 Hb(Abramov) -0.9605494E-03 Ex_ueg -0.1120198E-01 Ec_ueg -0.2043666E-02 Delta_ex -0.1352964E-01 Delta_ec 0.4929554E-02 Delta_et -0.4998595E-01 Pxc 0.5481319E+01 Qxc -0.2744598E+01 3,-1 173 3 -1 -3.075800 -1.999760 -0.863894 Rho 0.1537473E+00 |GRAD(Rho)| 0.5296054E-12 GRAD(Rho)x -0.2215919E-12 GRAD(Rho)y 0.2729295E-12 GRAD(Rho)z -0.3960914E-12 Laplacian 0.6002680E+00 (-1/4)Del**2(Rho)) -0.1500670E+00 Diamond 0.1256258E+01 Metallicity 0.5065401E+01 Ellipticity 0.7116643E-01 Gb(Abramov) 0.2267362E+00 Vb(Abramov) -0.3034055E+00 Hb(Abramov) -0.7666924E-01 Ex_ueg -0.6083148E-01 Ec_ueg -0.8683825E-02 Delta_ex -0.6488704E-01 Delta_ec 0.1519228E-01 Delta_et -0.2030566E+00 Pxc 0.7005148E+01 Qxc -0.4271053E+01 3,-1 174 3 -1 -0.555402 2.737898 -1.772834 Rho 0.1474720E+00 |GRAD(Rho)| 0.1127799E-13 GRAD(Rho)x 0.7333462E-14 GRAD(Rho)y -0.2285803E-14 GRAD(Rho)z -0.8257636E-14 Laplacian 0.6137520E+00 (-1/4)Del**2(Rho)) -0.1534380E+00 Diamond 0.1210801E+01 Metallicity 0.4621713E+01 Ellipticity 0.9065650E-02 Gb(Abramov) 0.2204830E+00 Vb(Abramov) -0.2875281E+00 Hb(Abramov) -0.6704505E-01 Ex_ueg -0.5754371E-01 Ec_ueg -0.8281883E-02 Delta_ex -0.6555686E-01 Delta_ec 0.1549552E-01 Delta_et -0.2054630E+00 Pxc 0.6948143E+01 Qxc -0.4230698E+01 3,-1 175 3 -1 -0.855179 2.990280 1.997642 Rho 0.1548057E+00 |GRAD(Rho)| 0.5695677E-09 GRAD(Rho)x -0.4103385E-09 GRAD(Rho)y 0.2466271E-09 GRAD(Rho)z -0.3085527E-09 Laplacian 0.6085871E+00 (-1/4)Del**2(Rho)) -0.1521468E+00 Diamond 0.1281100E+01 Metallicity 0.5053611E+01 Ellipticity 0.4817576E-01 Gb(Abramov) 0.2295796E+00 Vb(Abramov) -0.3070125E+00 Hb(Abramov) -0.7743286E-01 Ex_ueg -0.6139046E-01 Ec_ueg -0.8751853E-02 Delta_ex -0.6586801E-01 Delta_ec 0.1532345E-01 Delta_et -0.2048724E+00 Pxc 0.7014567E+01 Qxc -0.4298510E+01 3,-1 176 3 -1 1.785498 0.534445 2.747663 Rho 0.1309582E+00 |GRAD(Rho)| 0.1088516E-15 GRAD(Rho)x 0.8875550E-16 GRAD(Rho)y -0.3763537E-16 GRAD(Rho)z -0.5054415E-16 Laplacian 0.5510576E+00 (-1/4)Del**2(Rho)) -0.1377644E+00 Diamond 0.9485059E+00 Metallicity 0.4223158E+01 Ellipticity 0.1091110E-01 Gb(Abramov) 0.1888098E+00 Vb(Abramov) -0.2398551E+00 Hb(Abramov) -0.5104535E-01 Ex_ueg -0.4911665E-01 Ec_ueg -0.7235950E-02 Delta_ex -0.5725148E-01 Delta_ec 0.1444839E-01 Delta_et -0.1884434E+00 Pxc 0.6787864E+01 Qxc -0.3962482E+01 3,-1 177 3 -1 0.439587 -0.557297 0.459968 Rho 0.1901836E+00 |GRAD(Rho)| 0.5003887E-13 GRAD(Rho)x -0.2918636E-13 GRAD(Rho)y 0.3135444E-13 GRAD(Rho)z -0.2586395E-13 Laplacian 0.7819742E+00 (-1/4)Del**2(Rho)) -0.1954936E+00 Diamond 0.2484669E+01 Metallicity 0.5542544E+01 Ellipticity 0.8507414E-02 Gb(Abramov) 0.3109176E+00 Vb(Abramov) -0.4263417E+00 Hb(Abramov) -0.1154241E+00 Ex_ueg -0.8077602E-01 Ec_ueg -0.1106380E-01 Delta_ex -0.9184170E-01 Delta_ec 0.2355209E-01 Delta_et -0.3381013E+00 Pxc 0.7300928E+01 Qxc -0.3899514E+01 3,-1 178 3 -1 1.952750 -0.595961 -2.805848 Rho 0.1556870E+00 |GRAD(Rho)| 0.1848755E-11 GRAD(Rho)x -0.1237504E-11 GRAD(Rho)y -0.1292770E-11 GRAD(Rho)z -0.4639214E-12 Laplacian 0.5937972E+00 (-1/4)Del**2(Rho)) -0.1484493E+00 Diamond 0.1279764E+01 Metallicity 0.5228725E+01 Ellipticity 0.1131683E+00 Gb(Abramov) 0.2283330E+00 Vb(Abramov) -0.3082166E+00 Hb(Abramov) -0.7988365E-01 Ex_ueg -0.6185693E-01 Ec_ueg -0.8808555E-02 Delta_ex -0.6455883E-01 Delta_ec 0.1528935E-01 Delta_et -0.2054460E+00 Pxc 0.7022370E+01 Qxc -0.4222472E+01 3,-1 179 3 -1 -2.065789 -3.105950 -0.717299 Rho 0.1502850E+00 |GRAD(Rho)| 0.1010196E-12 GRAD(Rho)x -0.6676460E-13 GRAD(Rho)y 0.5179291E-13 GRAD(Rho)z 0.5536186E-13 Laplacian 0.5609950E+00 (-1/4)Del**2(Rho)) -0.1402487E+00 Diamond 0.1168072E+01 Metallicity 0.5218117E+01 Ellipticity 0.1200818E+00 Gb(Abramov) 0.2154716E+00 Vb(Abramov) -0.2906944E+00 Hb(Abramov) -0.7522280E-01 Ex_ueg -0.5901187E-01 Ec_ueg -0.8461763E-02 Delta_ex -0.6055808E-01 Delta_ec 0.1473476E-01 Delta_et -0.1973748E+00 Pxc 0.6973945E+01 Qxc -0.4109880E+01 3,-1 180 3 -1 1.193217 -1.770125 -2.569272 Rho 0.3058753E+00 |GRAD(Rho)| 0.7458463E-15 GRAD(Rho)x 0.7001585E-16 GRAD(Rho)y -0.8982996E-16 GRAD(Rho)z 0.7370991E-15 Laplacian -0.1521102E+01 (-1/4)Del**2(Rho)) 0.3802754E+00 Diamond 0.5156930E+01 Metallicity -0.6290652E+01 Ellipticity 0.3859673E-02 Gb(Abramov) 0.1451797E+00 Vb(Abramov) -0.6706348E+00 Hb(Abramov) -0.5254551E+00 Ex_ueg -0.1522104E+00 Ec_ueg -0.1911187E-01 Delta_ex 0.1483419E+00 Delta_ec 0.5391163E-01 Delta_et -0.1253232E+01 Pxc 0.7964180E+01 Qxc 0.2751575E+01 3,-1 181 3 -1 0.456732 0.449007 -0.537633 Rho 0.1890560E+00 |GRAD(Rho)| 0.3681671E-15 GRAD(Rho)x 0.2025821E-15 GRAD(Rho)y 0.2276604E-15 GRAD(Rho)z -0.2065871E-15 Laplacian 0.7783022E+00 (-1/4)Del**2(Rho)) -0.1945756E+00 Diamond 0.2450940E+01 Metallicity 0.5513773E+01 Ellipticity 0.4702398E-02 Gb(Abramov) 0.3085246E+00 Vb(Abramov) -0.4224737E+00 Hb(Abramov) -0.1139491E+00 Ex_ueg -0.8013808E-01 Ec_ueg -0.1098900E-01 Delta_ex -0.9124644E-01 Delta_ec 0.2341670E-01 Delta_et -0.3356951E+00 Pxc 0.7292574E+01 Qxc -0.3896640E+01 3,-1 182 3 -1 3.007253 1.997588 -0.823015 Rho 0.1443792E+00 |GRAD(Rho)| 0.4286069E-11 GRAD(Rho)x 0.1482916E-11 GRAD(Rho)y -0.2622628E-11 GRAD(Rho)z -0.3048471E-11 Laplacian 0.5724541E+00 (-1/4)Del**2(Rho)) -0.1431135E+00 Diamond 0.1111107E+01 Metallicity 0.4783146E+01 Ellipticity 0.3563209E-01 Gb(Abramov) 0.2094978E+00 Vb(Abramov) -0.2758821E+00 Hb(Abramov) -0.6638431E-01 Ex_ueg -0.5594028E-01 Ec_ueg -0.8084679E-02 Delta_ex -0.6093508E-01 Delta_ec 0.1471912E-01 Delta_et -0.1950022E+00 Pxc 0.6919295E+01 Qxc -0.4139860E+01 3,-1 183 3 -1 -3.318063 -3.125286 0.107997 Rho 0.2462677E+00 |GRAD(Rho)| 0.9758283E-16 GRAD(Rho)x -0.4770490E-16 GRAD(Rho)y 0.8174884E-16 GRAD(Rho)z 0.2374403E-16 Laplacian 0.9111716E+00 (-1/4)Del**2(Rho)) -0.2277929E+00 Diamond 0.3305575E+01 Metallicity 0.7317430E+01 Ellipticity 0.2050935E-02 Gb(Abramov) 0.4296717E+00 Vb(Abramov) -0.6315505E+00 Hb(Abramov) -0.2018788E+00 Ex_ueg -0.1140061E+00 Ec_ueg -0.1487345E-01 Delta_ex -0.1107375E+00 Delta_ec 0.1980396E-01 Delta_et -0.2737580E+00 Pxc 0.7665075E+01 Qxc -0.5591683E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 142 78 71 143 114 139 177 149 181 112 81 131 174 151 152 159 130 87 168 157 175 161 117 154 133 103 134 153 90 95 91 182 93 162 109 171 147 146 165 135 136 137 148 173 179 183 61 56 123 124 57 163 155 126 63 164 156 127 172 144 176 100 140 104 169 97 178 122 128 106 129 141 66 99 138 180 150 160 115 69 111 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 20 36 52 24 27 52 53 53 2.358677 1.970394 1.901549 1.957201 1.928557 1.734771 1.715306 1.692937 1.717287 1.724544 2.339328 1.906901 1.920249 1.983664 1.968149 1.734505 2.393128 1.925301 1.947743 1.951726 1.912495 1.735331 2.393468 1.952429 1.801982 2.079975 1.988896 1.741798 2.436057 1.926491 1.922889 1.938745 1.942239 1.733044 2.378654 1.824483 1.968358 1.963079 2.018506 1.740205 2.336650 1.941342 1.991531 1.914129 1.931143 1.733427 2.332924 2.182519 1.973148 1.989716 1.750464 1.748769 2.377765 1.940489 1.916830 1.947527 1.946380 1.734466 2.429557 1.951182 1.966477 1.877682 1.944595 1.734970 2.423556 1.944106 1.914628 1.959211 1.936516 1.735525 3.228443 3.085636 3.184062 3.229496 3.301079 1.008091 3.214469 3.193302 1.680039 1.879149 0.996649 2.359001 1.970748 1.902049 1.957833 1.929189 1.734777 1.715333 1.693030 1.717303 1.724581 2.339658 1.907279 1.920728 1.984262 1.968726 1.734511 2.393477 1.925734 1.948137 1.952270 1.912997 1.735344 2.393726 1.952824 1.802097 2.080517 1.989502 1.741821 2.436284 1.926862 1.923272 1.939295 1.942825 1.733051 2.378901 1.824830 1.968675 1.963621 2.019058 1.740219 2.337090 1.941832 1.991947 1.914799 1.932452 1.733439 2.333337 2.182842 1.973495 1.990345 1.750478 1.748792 2.378008 1.940882 1.917292 1.948158 1.946942 1.734469 2.429805 1.951552 1.966853 1.878164 1.945193 1.734976 2.423721 1.944606 1.915861 1.959784 1.937107 1.735530 3.268084 3.094559 3.195344 3.234359 3.306498 1.008176 3.220982 3.198743 1.684256 1.880203 0.996772 29 25 25 28 24 23 22 23 22 24 27 23 25 23 23 21 31 27 24 23 23 27 27 25 22 25 23 23 27 23 23 23 23 24 27 23 23 23 25 23 27 25 27 25 23 21 30 25 23 23 22 22 27 23 27 24 23 20 27 23 23 26 27 22 27 27 23 23 26 21 35 33 35 35 35 18 35 35 24 24 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W V W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.5161 2.3235 2.5232 2.5177 2.4620 2.5196 2.5074 2.5016 2.4114 2.5145 2.5028 2.4915 -1.1361 -1.0107 -1.1363 -1.1380 -0.9541 -0.9740 -0.9207 -0.9609 -0.7647 -0.9624 -0.9702 -0.9530 -0.9534 -0.9594 -0.9553 -0.8989 -0.9604 -0.9726 -0.9632 -0.9586 -0.9672 -0.9565 -0.9668 -0.7795 -0.7765 -0.9619 -0.9780 -0.9574 -0.7718 -0.7766 -0.7723 -0.7805 -0.8058 -0.7758 -0.7917 -0.7651 -0.8062 -0.7749 -0.7804 0.3001 0.3222 2.0776 1.7207 2.0797 2.0748 2.1022 2.0771 2.0782 2.1023 2.1201 2.0748 2.0803 2.0874 1.9592 1.9715 1.9588 1.9560 1.9325 1.9312 1.9425 1.9319 1.8788 1.9322 1.9317 1.9325 1.9320 1.9315 1.9325 1.9596 1.9459 1.9432 1.9440 1.9443 1.9439 1.9452 1.9445 1.9619 1.8800 1.9444 1.9432 1.9447 1.9681 1.9665 1.9688 1.9672 1.9641 1.9692 1.9653 1.9688 1.9614 1.9682 1.9676 0.5366 0.5388 6.0761 5.9899 6.0783 6.0763 6.0882 6.0771 6.0758 6.0838 6.0854 6.0776 6.0789 6.0908 5.1436 5.0075 5.1444 5.1484 4.9919 5.0129 4.9478 4.9990 4.8535 5.0012 5.0090 4.9908 4.9912 4.9974 4.9926 4.9063 4.9834 4.9970 4.9867 4.9822 4.9912 4.9804 4.9892 4.7834 4.8651 4.9864 5.0030 4.9806 4.7675 4.7741 4.7670 4.7771 4.8064 4.7701 4.7908 4.7600 4.8108 4.7704 4.7763 0.1633 0.1390 3.3008 2.9660 3.2896 3.3019 3.3190 3.2966 3.3094 3.2833 3.3549 3.3036 3.3089 3.3014 0.0334 0.0317 0.0330 0.0336 0.0296 0.0298 0.0304 0.0299 0.0323 0.0290 0.0295 0.0297 0.0302 0.0305 0.0302 0.0330 0.0312 0.0324 0.0325 0.0321 0.0321 0.0310 0.0330 0.0342 0.0314 0.0310 0.0317 0.0321 0.0363 0.0359 0.0366 0.0362 0.0352 0.0365 0.0356 0.0363 0.0340 0.0364 0.0365 0.0000 0.0000 14.0293 0.0000 14.0292 14.0294 14.0286 14.0296 14.0293 14.0290 14.0282 14.0295 14.0291 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W V W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.517422 2.054072 2.517124 2.515855 2.489326 2.514628 2.504513 2.532376 2.491927 2.514240 2.509289 2.511760 -1.036972 -0.959407 -1.038760 -1.044925 -0.954156 -0.963733 -0.939706 -0.956811 -0.619558 -0.965835 -0.955042 -0.955755 -0.958232 -0.955240 -0.955106 -0.775296 -0.943554 -0.935343 -0.938899 -0.934371 -0.941533 -0.925040 -0.942389 -0.825908 -0.592721 -0.941176 -0.946926 -0.931897 -0.803198 -0.813045 -0.799688 -0.811624 -0.843850 -0.802728 -0.827958 -0.794577 -0.845996 -0.804865 -0.810993 0.049524 0.070758 1.936640 1.516848 1.940479 1.936785 1.913269 1.936310 1.932003 1.953660 1.938408 1.934356 1.934091 1.938458 -0.707566 -0.661785 -0.710120 -0.714181 -0.709656 -0.731053 -0.730975 -0.718967 -0.739136 -0.724026 -0.708654 -0.723664 -0.723936 -0.714758 -0.716870 -0.642761 -0.789955 -0.760213 -0.764748 -0.768756 -0.772479 -0.748136 -0.774803 -0.725640 -0.762139 -0.783369 -0.781162 -0.766843 -0.699783 -0.698725 -0.695717 -0.708670 -0.743298 -0.699675 -0.723415 -0.680725 -0.750295 -0.701892 -0.707858 0.273686 0.301410 2.038990 1.464723 2.041659 2.038090 2.009747 2.038472 2.029719 2.060819 2.023331 2.036877 2.036337 2.041921 -0.753866 -0.719978 -0.758853 -0.767725 -0.796654 -0.817978 -0.792319 -0.797452 -0.780349 -0.804987 -0.795466 -0.792036 -0.798171 -0.821058 -0.793391 -0.745938 -0.818409 -0.791544 -0.806100 -0.806813 -0.804294 -0.792591 -0.806022 -0.713876 -0.780849 -0.813752 -0.824995 -0.801657 -0.665670 -0.679799 -0.664142 -0.676462 -0.714129 -0.667003 -0.691591 -0.663147 -0.737296 -0.668260 -0.676550 0.359014 0.381472 1.97764156 -0.87541291 0.26335965 2.17870884 -15.54517036 5.45462417 -10.48801326 12.41033602 8.81303156 3.13483435 -390.0061 416.5997 -63.2493 -396.3486 -29.8372 -462.8416 Mar19-2024 08:19:35 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 0 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Mar19-2024 08:19:36 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Mar19-2024 08:19:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar19-2024 08:19:38 Nodes: 1 Procs: 1 Mar19-2024 08:19:39 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar19-2024 08:19:41 Nodes: 1 Procs: 28 *** (NO TITLE) *** -5 -16.92073220 -17.00450758 -17.00822486 -17.01076373 -17.01120490 -17.01333284 -17.01419080 -17.01456110 -17.01480398 -17.01494911 -16.58847985 -17.01521797 -17.01529023 -17.01531916 -17.01538586 -17.01542978 -17.00631641 -17.01537658 -17.01531402 -17.01546401 -17.01549580 -17.01550298 -17.01550671 GEOMETRY CONVERGED