ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar27-2024 11:09:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.31 0.04 0.89 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 Mar27-2024 11:09:58 Nodes: 1 Procs: 1 Mar27-2024 11:09:59 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar27-2024 11:10:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.63 0.03 0.69 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 Mar27-2024 11:09:58 Nodes: 1 Procs: 1 Mar27-2024 11:09:59 Nodes: 1 Procs: 1 0 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar27-2024 11:10:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.02 0.50 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 Mar27-2024 11:09:58 Nodes: 1 Procs: 1 Mar27-2024 11:09:59 Nodes: 1 Procs: 1 0 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar27-2024 11:10:02 Hydrogen (TZP) kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.29 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 Mar27-2024 11:09:58 Nodes: 1 Procs: 1 Mar27-2024 11:09:59 Nodes: 1 Procs: 1 0 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar27-2024 11:10:02 Nodes: 1 Procs: 1 Mar27-2024 11:10:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar27-2024 11:10:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2896.9975000000054 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Mar27-2024 11:10:03 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar27-2024 11:10:01 1 1 Oxygen TZP 1s t21.V ADF 2019 Mar27-2024 11:10:00 1 1 Vanadium TZP 2p t21.H ADF 2019 Mar27-2024 11:09:59 1 1 Hydrogen TZP 1 1 -17.06642542 0.00185875 0.00100000 F 0.00052368 0.00066667 T 0.00185875 0.00052368 0.00164055 0.01000000 T 0.00054547 0.00666667 T Cartesian 2896.9975000000054 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1.016195 -1.000360 0.950751 Rho 0.3190702E+03 3,-3 14 3 -3 -0.958891 -0.972265 -0.994576 Rho 0.3191136E+03 3,-3 15 3 -3 0.981904 0.975158 -0.993021 Rho 0.3191147E+03 3,-3 16 3 -3 -1.004464 1.009337 0.934936 Rho 0.3190755E+03 3,-3 17 3 -3 -2.978028 -1.135378 1.149158 Rho 0.3188764E+03 3,-3 18 3 -3 2.982536 -1.157528 -1.089284 Rho 0.3189446E+03 3,-3 19 3 -3 -2.952461 1.157076 -1.118402 Rho 0.3189455E+03 3,-3 20 3 -3 2.984635 1.155412 1.166012 Rho 0.3188758E+03 3,-3 21 3 -3 1.164221 -1.156327 -2.961133 Rho 0.3188762E+03 3,-3 22 3 -3 1.134293 1.156029 3.000085 Rho 0.3188738E+03 3,-3 23 3 -3 -1.124457 1.140929 -2.977055 Rho 0.3188756E+03 3,-3 24 3 -3 -1.147825 -1.128263 3.000803 Rho 0.3188737E+03 3,-3 25 3 -3 -1.134043 2.982359 -1.127140 Rho 0.3189108E+03 3,-3 26 3 -3 -1.127470 -2.971941 1.150562 Rho 0.3188764E+03 3,-3 27 3 -3 1.136489 2.990387 1.137195 Rho 0.3188769E+03 3,-3 28 3 -3 1.154787 -2.979634 -1.093656 Rho 0.3189086E+03 3,-3 29 3 -3 3.412990 -1.504575 1.530975 Rho 0.3190219E+03 3,-3 30 3 -3 -3.389134 -1.499356 -1.516454 Rho 0.3190031E+03 3,-3 31 3 -3 3.417071 1.497270 -1.499659 Rho 0.3190029E+03 3,-3 32 3 -3 -3.409009 1.528316 1.488622 Rho 0.3190215E+03 3,-3 33 3 -3 1.510367 -1.497894 3.414599 Rho 0.3189977E+03 3,-3 34 3 -3 1.536674 1.513566 -3.430957 Rho 0.3190040E+03 3,-3 35 3 -3 -1.522950 1.530361 3.391447 Rho 0.3189987E+03 3,-3 36 3 -3 -1.492511 -1.532491 -3.434073 Rho 0.3190043E+03 3,-3 37 3 -3 -1.502826 -3.406384 -1.508367 Rho 0.3190040E+03 3,-3 38 3 -3 -1.537839 3.397479 1.474575 Rho 0.3190384E+03 3,-3 39 3 -3 1.539911 -3.380120 1.510861 Rho 0.3190358E+03 3,-3 40 3 -3 1.528347 3.404472 -1.522012 Rho 0.3190036E+03 3,-3 41 3 -3 -0.219242 -3.734164 3.757219 Rho 0.3194703E+03 3,-3 42 3 -3 0.261050 -3.777241 -3.701752 Rho 0.3194683E+03 3,-3 43 3 -3 -0.214330 3.751229 -3.738568 Rho 0.3194688E+03 3,-3 44 3 -3 0.201979 3.771207 3.726186 Rho 0.3194698E+03 3,-3 45 3 -3 3.832267 -3.749162 -0.244352 Rho 0.3187009E+03 3,-3 46 3 -3 3.755073 3.747773 0.220217 Rho 0.3194599E+03 3,-3 47 3 -3 -3.785410 3.810534 -0.245385 Rho 0.3186874E+03 3,-3 48 3 -3 -3.739497 -3.735317 0.224114 Rho 0.3194595E+03 3,-3 49 3 -3 -3.717870 0.217145 -3.749414 Rho 0.3194712E+03 3,-3 50 3 -3 -3.766717 -0.189469 3.739616 Rho 0.3194682E+03 3,-3 51 3 -3 3.747107 0.235387 3.772212 Rho 0.3194677E+03 3,-3 52 3 -3 3.764883 -0.239300 -3.716178 Rho 0.3194707E+03 3,-3 53 3 -3 0.009652 0.002743 -0.005086 Rho 0.1070768E+05 3,-3 54 3 -3 -4.388893 3.839597 -1.020537 Rho 0.4379772E+00 3,-3 55 3 -3 3.953188 -4.596694 0.239667 Rho 0.4376266E+00 3,-3 56 3 +1 -1.660386 -0.489357 0.474061 Rho 0.8834421E-02 |GRAD(Rho)| 0.8814936E-12 GRAD(Rho)x 0.1665370E-12 GRAD(Rho)y -0.5307609E-12 GRAD(Rho)z -0.6838050E-12 Laplacian 0.3209947E-01 (-1/4)Del**2(Rho)) -0.8024869E-02 Diamond 0.8019158E-03 Metallicity 0.8104858E+00 Ellipticity -0.1420875E+01 Gb(Abramov) 0.6433919E-02 Vb(Abramov) -0.4842970E-02 Hb(Abramov) 0.1590949E-02 Ex_ueg -0.1348826E-02 Ec_ueg -0.3154809E-03 Delta_ex -0.1437690E-02 Delta_ec 0.3824736E-03 Delta_et -0.2688075E-02 Pxc 0.4275459E+01 Qxc -0.3758927E+01 3,+1 57 3 -1 -2.731752 1.784662 -0.551793 Rho 0.1641304E+00 |GRAD(Rho)| 0.2520121E-14 GRAD(Rho)x -0.1469961E-14 GRAD(Rho)y 0.2037948E-14 GRAD(Rho)z -0.1923375E-15 Laplacian 0.6960317E+00 (-1/4)Del**2(Rho)) -0.1740079E+00 Diamond 0.1553768E+01 Metallicity 0.4871163E+01 Ellipticity 0.1395112E-01 Gb(Abramov) 0.2572755E+00 Vb(Abramov) -0.3405430E+00 Hb(Abramov) -0.8326752E-01 Ex_ueg -0.6636981E-01 Ec_ueg -0.9354118E-02 Delta_ex -0.7627266E-01 Delta_ec 0.1698338E-01 Delta_et -0.2280311E+00 Pxc 0.7095250E+01 Qxc -0.4491017E+01 3,-1 58 3 +1 -2.849659 0.119354 0.122738 Rho 0.5742699E-02 |GRAD(Rho)| 0.4042375E-17 GRAD(Rho)x -0.1703071E-17 GRAD(Rho)y 0.1277063E-17 GRAD(Rho)z 0.3436489E-17 Laplacian 0.2377151E-01 (-1/4)Del**2(Rho)) -0.5942876E-02 Diamond 0.7024649E-03 Metallicity 0.5338467E+00 Ellipticity -0.1527394E+02 Gb(Abramov) 0.4490682E-02 Vb(Abramov) -0.3038487E-02 Hb(Abramov) 0.1452195E-02 Ex_ueg -0.7595210E-03 Ec_ueg -0.1790129E-03 Delta_ex -0.1240965E-02 Delta_ec 0.7962623E-03 Delta_et -0.4488802E-02 Pxc 0.4242829E+01 Qxc -0.1558488E+01 3,+1 59 3 -1 -2.996953 0.869370 1.980311 Rho 0.1374135E+00 |GRAD(Rho)| 0.4188295E-13 GRAD(Rho)x -0.1934625E-13 GRAD(Rho)y -0.6480060E-14 GRAD(Rho)z -0.3657750E-13 Laplacian 0.5444156E+00 (-1/4)Del**2(Rho)) -0.1361039E+00 Diamond 0.9992660E+00 Metallicity 0.4631604E+01 Ellipticity 0.4495586E-01 Gb(Abramov) 0.1957991E+00 Vb(Abramov) -0.2554944E+00 Hb(Abramov) -0.5969525E-01 Ex_ueg -0.5237099E-01 Ec_ueg -0.7642729E-02 Delta_ex -0.5729620E-01 Delta_ec 0.1423820E-01 Delta_et -0.1873742E+00 Pxc 0.6852393E+01 Qxc -0.4024117E+01 3,-1 60 3 -1 -2.972518 1.976168 0.840761 Rho 0.1510509E+00 |GRAD(Rho)| 0.2454156E-13 GRAD(Rho)x -0.2286876E-13 GRAD(Rho)y 0.8902953E-14 GRAD(Rho)z -0.2121784E-15 Laplacian 0.5861215E+00 (-1/4)Del**2(Rho)) -0.1465304E+00 Diamond 0.1196706E+01 Metallicity 0.5036914E+01 Ellipticity 0.3705965E-01 Gb(Abramov) 0.2206970E+00 Vb(Abramov) -0.2948637E+00 Hb(Abramov) -0.7416668E-01 Ex_ueg -0.5941320E-01 Ec_ueg -0.8510822E-02 Delta_ex -0.6304152E-01 Delta_ec 0.1482659E-01 Delta_et -0.1975182E+00 Pxc 0.6980899E+01 Qxc -0.4251923E+01 3,-1 61 3 +1 -1.707254 1.727314 -1.730849 Rho 0.1265077E-01 |GRAD(Rho)| 0.1686189E-16 GRAD(Rho)x 0.1241949E-16 GRAD(Rho)y 0.1087259E-16 GRAD(Rho)z -0.3444744E-17 Laplacian 0.6470009E-01 (-1/4)Del**2(Rho)) -0.1617502E-01 Diamond 0.2788431E-02 Metallicity 0.7315371E+00 Ellipticity -0.1252979E+01 Gb(Abramov) 0.1275545E-01 Vb(Abramov) -0.9335884E-02 Hb(Abramov) 0.3419569E-02 Ex_ueg -0.2177079E-02 Ec_ueg -0.4896934E-03 Delta_ex -0.3225289E-02 Delta_ec 0.8403227E-03 Delta_et -0.6382339E-02 Pxc 0.4445800E+01 Qxc -0.3838155E+01 3,+1 62 3 -1 -1.957891 -0.882597 -3.018199 Rho 0.1501886E+00 |GRAD(Rho)| 0.2016540E-15 GRAD(Rho)x -0.1963626E-15 GRAD(Rho)y -0.2490954E-16 GRAD(Rho)z 0.3854339E-16 Laplacian 0.5880049E+00 (-1/4)Del**2(Rho)) -0.1470012E+00 Diamond 0.1198575E+01 Metallicity 0.4973098E+01 Ellipticity 0.4315207E-01 Gb(Abramov) 0.2198427E+00 Vb(Abramov) -0.2926842E+00 Hb(Abramov) -0.7284150E-01 Ex_ueg -0.5896136E-01 Ec_ueg -0.8455586E-02 Delta_ex -0.6321723E-01 Delta_ec 0.1500641E-01 Delta_et -0.2000126E+00 Pxc 0.6973067E+01 Qxc -0.4212681E+01 3,-1 63 3 -1 -1.700543 -0.563472 -1.751541 Rho 0.4907364E-01 |GRAD(Rho)| 0.7990858E-16 GRAD(Rho)x 0.3364245E-16 GRAD(Rho)y -0.3948592E-16 GRAD(Rho)z 0.6078181E-16 Laplacian 0.2016817E+00 (-1/4)Del**2(Rho)) -0.5042043E-01 Diamond 0.9790443E-01 Metallicity 0.2247469E+01 Ellipticity 0.1302126E-01 Gb(Abramov) 0.5250001E-01 Vb(Abramov) -0.5457959E-01 Hb(Abramov) -0.2079582E-02 Ex_ueg -0.1326934E-01 Ec_ueg -0.2363732E-02 Delta_ex -0.1644490E-01 Delta_ec 0.5870742E-02 Delta_et -0.6156635E-01 Pxc 0.5613724E+01 Qxc -0.2801163E+01 3,-1 64 3 +3 -1.050783 -1.042140 1.075455 Rho 0.5133731E-02 |GRAD(Rho)| 0.2841528E-15 GRAD(Rho)x 0.2696329E-15 GRAD(Rho)y 0.8899388E-16 GRAD(Rho)z -0.1099993E-16 Laplacian 0.1752443E-01 (-1/4)Del**2(Rho)) -0.4381106E-02 Diamond 0.1071751E-03 Metallicity 0.6007464E+00 Ellipticity -0.5124551E-01 Gb(Abramov) 0.3359393E-02 Vb(Abramov) -0.2337680E-02 Hb(Abramov) 0.1021713E-02 Ex_ueg -0.6540774E-03 Ec_ueg -0.1526723E-03 Delta_ex -0.5922439E-03 Delta_ec 0.4564869E-04 Delta_et -0.4539195E-03 Pxc 0.4284192E+01 Qxc -0.1297395E+02 3,+3 65 3 +1 -1.723692 -1.717918 1.739580 Rho 0.1250514E-01 |GRAD(Rho)| 0.2097369E-16 GRAD(Rho)x -0.7270794E-17 GRAD(Rho)y 0.1836961E-16 GRAD(Rho)z 0.7041920E-17 Laplacian 0.6387046E-01 (-1/4)Del**2(Rho)) -0.1596761E-01 Diamond 0.2700977E-02 Metallicity 0.7268763E+00 Ellipticity -0.1240678E+01 Gb(Abramov) 0.1257949E-01 Vb(Abramov) -0.9191365E-02 Hb(Abramov) 0.3388125E-02 Ex_ueg -0.2143728E-02 Ec_ueg -0.4829378E-03 Delta_ex -0.3171916E-02 Delta_ec 0.8254916E-03 Delta_et -0.6255089E-02 Pxc 0.4438931E+01 Qxc -0.3842457E+01 3,+1 66 3 -1 -1.808164 -0.542519 2.778207 Rho 0.1384105E+00 |GRAD(Rho)| 0.3139021E-15 GRAD(Rho)x 0.2099693E-15 GRAD(Rho)y -0.2206758E-15 GRAD(Rho)z 0.7582639E-16 Laplacian 0.5855182E+00 (-1/4)Del**2(Rho)) -0.1463796E+00 Diamond 0.1079591E+01 Metallicity 0.4358674E+01 Ellipticity 0.8430158E-02 Gb(Abramov) 0.2039232E+00 Vb(Abramov) -0.2614668E+00 Hb(Abramov) -0.5754360E-01 Ex_ueg -0.5287824E-01 Ec_ueg -0.7705797E-02 Delta_ex -0.6168033E-01 Delta_ec 0.1519749E-01 Delta_et -0.2000420E+00 Pxc 0.6862138E+01 Qxc -0.4058587E+01 3,-1 67 3 +1 -1.650268 0.466164 -0.529264 Rho 0.9238566E-02 |GRAD(Rho)| 0.5668482E-14 GRAD(Rho)x -0.1169381E-14 GRAD(Rho)y 0.4383254E-14 GRAD(Rho)z 0.3398723E-14 Laplacian 0.3524543E-01 (-1/4)Del**2(Rho)) -0.8811357E-02 Diamond 0.9477076E-03 Metallicity 0.7952762E+00 Ellipticity -0.1399635E+01 Gb(Abramov) 0.7042149E-02 Vb(Abramov) -0.5272940E-02 Hb(Abramov) 0.1769209E-02 Ex_ueg -0.1431719E-02 Ec_ueg -0.3336411E-03 Delta_ex -0.1601916E-02 Delta_ec 0.4284905E-03 Delta_et -0.3036566E-02 Pxc 0.4291195E+01 Qxc -0.3738511E+01 3,+1 68 3 +1 -0.182007 2.867603 0.188000 Rho 0.5897649E-02 |GRAD(Rho)| 0.4131510E-17 GRAD(Rho)x 0.3931932E-17 GRAD(Rho)y 0.7497029E-18 GRAD(Rho)z 0.1023343E-17 Laplacian 0.2474829E-01 (-1/4)Del**2(Rho)) -0.6187073E-02 Diamond 0.6684804E-03 Metallicity 0.5360428E+00 Ellipticity -0.2521429E+01 Gb(Abramov) 0.4677471E-02 Vb(Abramov) -0.3167870E-02 Hb(Abramov) 0.1509602E-02 Ex_ueg -0.7869678E-03 Ec_ueg -0.1857445E-03 Delta_ex -0.1231923E-02 Delta_ec 0.7099044E-03 Delta_et -0.4078475E-02 Pxc 0.4236829E+01 Qxc -0.1735337E+01 3,+1 69 3 +3 -1.048873 1.063524 -1.086661 Rho 0.5315908E-02 |GRAD(Rho)| 0.3440976E-17 GRAD(Rho)x -0.2143868E-17 GRAD(Rho)y 0.2691474E-17 GRAD(Rho)z -0.1083122E-19 Laplacian 0.1914732E-01 (-1/4)Del**2(Rho)) -0.4786830E-02 Diamond 0.1268147E-03 Metallicity 0.5827304E+00 Ellipticity -0.1788171E+00 Gb(Abramov) 0.3656125E-02 Vb(Abramov) -0.2525420E-02 Hb(Abramov) 0.1130705E-02 Ex_ueg -0.6852068E-03 Ec_ueg -0.1605328E-03 Delta_ex -0.6569720E-03 Delta_ec 0.5591050E-04 Delta_et -0.5288379E-03 Pxc 0.4268328E+01 Qxc -0.1175042E+02 3,+3 70 3 +1 1.211744 1.278908 -2.185653 Rho 0.2983221E-01 |GRAD(Rho)| 0.2290810E-16 GRAD(Rho)x 0.9859018E-17 GRAD(Rho)y 0.1114881E-16 GRAD(Rho)z -0.1741508E-16 Laplacian 0.1184665E+00 (-1/4)Del**2(Rho)) -0.2961663E-01 Diamond 0.2063563E-01 Metallicity 0.1669142E+01 Ellipticity -0.7565711E+01 Gb(Abramov) 0.2798348E-01 Vb(Abramov) -0.2635033E-01 Hb(Abramov) 0.1633151E-02 Ex_ueg -0.6833329E-02 Ec_ueg -0.1334956E-02 Delta_ex -0.7800865E-02 Delta_ec 0.2143729E-02 Delta_et -0.1973344E-01 Pxc 0.5118768E+01 Qxc -0.3638923E+01 3,+1 71 3 +1 -0.461882 1.665891 -0.522513 Rho 0.9197190E-02 |GRAD(Rho)| 0.9979344E-17 GRAD(Rho)x 0.1879320E-17 GRAD(Rho)y -0.9464867E-17 GRAD(Rho)z 0.2543964E-17 Laplacian 0.3472134E-01 (-1/4)Del**2(Rho)) -0.8680335E-02 Diamond 0.9159995E-03 Metallicity 0.8012634E+00 Ellipticity -0.1395298E+01 Gb(Abramov) 0.6946096E-02 Vb(Abramov) -0.5211857E-02 Hb(Abramov) 0.1734239E-02 Ex_ueg -0.1423176E-02 Ec_ueg -0.3317786E-03 Delta_ex -0.1571346E-02 Delta_ec 0.4133625E-03 Delta_et -0.2934192E-02 Pxc 0.4289535E+01 Qxc -0.3801375E+01 3,+1 72 3 +1 2.170508 1.322642 -1.148125 Rho 0.3007229E-01 |GRAD(Rho)| 0.8896074E-16 GRAD(Rho)x 0.8879584E-17 GRAD(Rho)y -0.8566210E-16 GRAD(Rho)z 0.2229734E-16 Laplacian 0.1196868E+00 (-1/4)Del**2(Rho)) -0.2992170E-01 Diamond 0.2088890E-01 Metallicity 0.1674343E+01 Ellipticity -0.6878433E+01 Gb(Abramov) 0.2829766E-01 Vb(Abramov) -0.2667363E-01 Hb(Abramov) 0.1624038E-02 Ex_ueg -0.6906749E-02 Ec_ueg -0.1347336E-02 Delta_ex -0.7881956E-02 Delta_ec 0.2136923E-02 Delta_et -0.1971146E-01 Pxc 0.5126224E+01 Qxc -0.3688461E+01 3,+1 73 3 +3 0.037261 2.310006 -0.033355 Rho 0.5144091E-02 |GRAD(Rho)| 0.1134388E-16 GRAD(Rho)x 0.6124030E-17 GRAD(Rho)y 0.1898747E-17 GRAD(Rho)z 0.9358133E-17 Laplacian 0.2078787E-01 (-1/4)Del**2(Rho)) -0.5196969E-02 Diamond 0.2118196E-03 Metallicity 0.5081409E+00 Ellipticity -0.4011331E+00 Gb(Abramov) 0.3904778E-02 Vb(Abramov) -0.2612587E-02 Hb(Abramov) 0.1292191E-02 Ex_ueg -0.6558380E-03 Ec_ueg -0.1531189E-03 Delta_ex -0.7783361E-03 Delta_ec 0.1887644E-03 Delta_et -0.1221657E-02 Pxc 0.4283195E+01 Qxc -0.4123321E+01 3,+3 74 3 +1 0.228232 2.878379 -0.225175 Rho 0.5780556E-02 |GRAD(Rho)| 0.2237812E-15 GRAD(Rho)x -0.2216788E-15 GRAD(Rho)y 0.2820592E-16 GRAD(Rho)z -0.1187327E-16 Laplacian 0.2437508E-01 (-1/4)Del**2(Rho)) -0.6093770E-02 Diamond 0.5938966E-03 Metallicity 0.5263603E+00 Ellipticity -0.1890909E+01 Gb(Abramov) 0.4597099E-02 Vb(Abramov) -0.3100429E-02 Hb(Abramov) 0.1496670E-02 Ex_ueg -0.7662041E-03 Ec_ueg -0.1806564E-03 Delta_ex -0.1172462E-02 Delta_ec 0.6350364E-03 Delta_et -0.3654680E-02 Pxc 0.4241223E+01 Qxc -0.1846291E+01 3,+1 75 3 +1 -1.049232 2.171869 1.412713 Rho 0.3079461E-01 |GRAD(Rho)| 0.6814177E-16 GRAD(Rho)x 0.5935696E-17 GRAD(Rho)y -0.6786806E-16 GRAD(Rho)z -0.1412123E-17 Laplacian 0.1203464E+00 (-1/4)Del**2(Rho)) -0.3008661E-01 Diamond 0.1783653E-01 Metallicity 0.1732359E+01 Ellipticity -0.2535816E+01 Gb(Abramov) 0.2874454E-01 Vb(Abramov) -0.2740247E-01 Hb(Abramov) 0.1342069E-02 Ex_ueg -0.7128826E-02 Ec_ueg -0.1384667E-02 Delta_ex -0.7658109E-02 Delta_ec 0.1581067E-02 Delta_et -0.1470364E-01 Pxc 0.5148406E+01 Qxc -0.4843633E+01 3,+1 76 3 +1 -1.252252 1.258397 2.139850 Rho 0.2905207E-01 |GRAD(Rho)| 0.1056481E-15 GRAD(Rho)x -0.9314721E-16 GRAD(Rho)y 0.4334275E-16 GRAD(Rho)z 0.2462779E-16 Laplacian 0.1159608E+00 (-1/4)Del**2(Rho)) -0.2899019E-01 Diamond 0.2024628E-01 Metallicity 0.1631538E+01 Ellipticity -0.1327689E+02 Gb(Abramov) 0.2720990E-01 Vb(Abramov) -0.2542960E-01 Hb(Abramov) 0.1780297E-02 Ex_ueg -0.6596110E-02 Ec_ueg -0.1294816E-02 Delta_ex -0.7650478E-02 Delta_ec 0.2220684E-02 Delta_et -0.2029700E-01 Pxc 0.5094244E+01 Qxc -0.3445099E+01 3,+1 77 3 -1 -0.856517 2.000150 2.978729 Rho 0.1413521E+00 |GRAD(Rho)| 0.5300167E-15 GRAD(Rho)x 0.5207559E-15 GRAD(Rho)y -0.3679511E-16 GRAD(Rho)z -0.9152699E-16 Laplacian 0.5588671E+00 (-1/4)Del**2(Rho)) -0.1397168E+00 Diamond 0.1057175E+01 Metallicity 0.4729424E+01 Ellipticity 0.3246595E-01 Gb(Abramov) 0.2032745E+00 Vb(Abramov) -0.2668322E+00 Hb(Abramov) -0.6355772E-01 Ex_ueg -0.5438193E-01 Ec_ueg -0.7892241E-02 Delta_ex -0.5917879E-01 Delta_ec 0.1443868E-01 Delta_et -0.1906749E+00 Pxc 0.6890556E+01 Qxc -0.4098630E+01 3,-1 78 3 +1 -2.170709 1.068549 1.400005 Rho 0.3068349E-01 |GRAD(Rho)| 0.4493234E-14 GRAD(Rho)x -0.2163961E-14 GRAD(Rho)y -0.2172421E-14 GRAD(Rho)z 0.3284358E-14 Laplacian 0.1195319E+00 (-1/4)Del**2(Rho)) -0.2988297E-01 Diamond 0.1813193E-01 Metallicity 0.1733687E+01 Ellipticity -0.2765119E+01 Gb(Abramov) 0.2855660E-01 Vb(Abramov) -0.2723023E-01 Hb(Abramov) 0.1326373E-02 Ex_ueg -0.7094548E-02 Ec_ueg -0.1378916E-02 Delta_ex -0.7640304E-02 Delta_ec 0.1644840E-02 Delta_et -0.1527855E-01 Pxc 0.5145018E+01 Qxc -0.4645013E+01 3,+1 79 3 -1 0.875195 2.988250 -1.994951 Rho 0.1456777E+00 |GRAD(Rho)| 0.1019633E-12 GRAD(Rho)x 0.2259094E-13 GRAD(Rho)y -0.6976978E-13 GRAD(Rho)z -0.7084029E-13 Laplacian 0.5754425E+00 (-1/4)Del**2(Rho)) -0.1438606E+00 Diamond 0.1128494E+01 Metallicity 0.4829845E+01 Ellipticity 0.3908094E-01 Gb(Abramov) 0.2117112E+00 Vb(Abramov) -0.2795618E+00 Hb(Abramov) -0.6785056E-01 Ex_ueg -0.5661211E-01 Ec_ueg -0.8167404E-02 Delta_ex -0.6138235E-01 Delta_ec 0.1475440E-01 Delta_et -0.1957049E+00 Pxc 0.6931469E+01 Qxc -0.4160276E+01 3,-1 80 3 -1 -0.861283 2.989264 1.971951 Rho 0.1289669E+00 |GRAD(Rho)| 0.1853104E-14 GRAD(Rho)x 0.1265128E-14 GRAD(Rho)y -0.6821055E-15 GRAD(Rho)z 0.1169692E-14 Laplacian 0.5108304E+00 (-1/4)Del**2(Rho)) -0.1277076E+00 Diamond 0.8700739E+00 Metallicity 0.4440859E+01 Ellipticity 0.4201408E-01 Gb(Abramov) 0.1796603E+00 Vb(Abramov) -0.2316130E+00 Hb(Abramov) -0.5195271E-01 Ex_ueg -0.4812339E-01 Ec_ueg -0.7111020E-02 Delta_ex -0.5295988E-01 Delta_ec 0.1359176E-01 Delta_et -0.1771049E+00 Pxc 0.6767438E+01 Qxc -0.3896470E+01 3,-1 81 3 -1 -0.539948 2.764810 -1.796492 Rho 0.1326436E+00 |GRAD(Rho)| 0.1223804E-13 GRAD(Rho)x 0.4050579E-15 GRAD(Rho)y 0.6377785E-14 GRAD(Rho)z -0.1043692E-13 Laplacian 0.5547156E+00 (-1/4)Del**2(Rho)) -0.1386789E+00 Diamond 0.9756739E+00 Metallicity 0.4285682E+01 Ellipticity 0.1422609E-01 Gb(Abramov) 0.1915082E+00 Vb(Abramov) -0.2443375E+00 Hb(Abramov) -0.5282932E-01 Ex_ueg -0.4996127E-01 Ec_ueg -0.7341893E-02 Delta_ex -0.5788127E-01 Delta_ec 0.1462735E-01 Delta_et -0.1914139E+00 Pxc 0.6804957E+01 Qxc -0.3957057E+01 3,-1 82 3 -1 -0.028042 2.881857 0.032443 Rho 0.5938469E-02 |GRAD(Rho)| 0.1296099E-15 GRAD(Rho)x -0.9205012E-16 GRAD(Rho)y -0.4131545E-16 GRAD(Rho)z 0.8135444E-16 Laplacian 0.2403593E-01 (-1/4)Del**2(Rho)) -0.6008982E-02 Diamond 0.8154519E-03 Metallicity 0.5583113E+00 Ellipticity 0.1913930E+01 Gb(Abramov) 0.4565135E-02 Vb(Abramov) -0.3121288E-02 Hb(Abramov) 0.1443847E-02 Ex_ueg -0.7942386E-03 Ec_ueg -0.1875198E-03 Delta_ex -0.1316383E-02 Delta_ec 0.9005673E-03 Delta_et -0.5092885E-02 Pxc 0.4235491E+01 Qxc -0.1461726E+01 3,-1 83 3 +1 -0.476034 0.488809 -1.668674 Rho 0.9247506E-02 |GRAD(Rho)| 0.1035513E-14 GRAD(Rho)x -0.1305214E-15 GRAD(Rho)y -0.8590025E-15 GRAD(Rho)z 0.5633533E-15 Laplacian 0.3441083E-01 (-1/4)Del**2(Rho)) -0.8602708E-02 Diamond 0.9173457E-03 Metallicity 0.8158789E+00 Ellipticity -0.1415890E+01 Gb(Abramov) 0.6904933E-02 Vb(Abramov) -0.5207158E-02 Hb(Abramov) 0.1697775E-02 Ex_ueg -0.1433567E-02 Ec_ueg -0.3340436E-03 Delta_ex -0.1560638E-02 Delta_ec 0.4116657E-03 Delta_et -0.2924159E-02 Pxc 0.4291555E+01 Qxc -0.3791031E+01 3,+1 84 3 -1 0.573006 -1.813916 -2.747723 Rho 0.1391724E+00 |GRAD(Rho)| 0.3101763E-15 GRAD(Rho)x -0.1637416E-15 GRAD(Rho)y -0.2488244E-15 GRAD(Rho)z 0.8651256E-16 Laplacian 0.5879102E+00 (-1/4)Del**2(Rho)) -0.1469776E+00 Diamond 0.1089074E+01 Metallicity 0.4380838E+01 Ellipticity 0.9297996E-02 Gb(Abramov) 0.2052992E+00 Vb(Abramov) -0.2636208E+00 Hb(Abramov) -0.5832163E-01 Ex_ueg -0.5326670E-01 Ec_ueg -0.7754035E-02 Delta_ex -0.6199192E-01 Delta_ec 0.1519801E-01 Delta_et -0.2001317E+00 Pxc 0.6869546E+01 Qxc -0.4078950E+01 3,-1 85 3 +1 0.507065 -0.493315 -1.661171 Rho 0.9233322E-02 |GRAD(Rho)| 0.7476606E-17 GRAD(Rho)x 0.4226798E-17 GRAD(Rho)y -0.1849310E-17 GRAD(Rho)z -0.5883355E-17 Laplacian 0.3426735E-01 (-1/4)Del**2(Rho)) -0.8566838E-02 Diamond 0.9099063E-03 Metallicity 0.8172016E+00 Ellipticity -0.1416139E+01 Gb(Abramov) 0.6878031E-02 Vb(Abramov) -0.5189224E-02 Hb(Abramov) 0.1688807E-02 Ex_ueg -0.1430636E-02 Ec_ueg -0.3334050E-03 Delta_ex -0.1552811E-02 Delta_ec 0.4087062E-03 Delta_et -0.2903211E-02 Pxc 0.4290984E+01 Qxc -0.3799332E+01 3,+1 86 3 +1 0.479119 -1.659141 -0.506101 Rho 0.9287184E-02 |GRAD(Rho)| 0.1439456E-16 GRAD(Rho)x -0.9922495E-17 GRAD(Rho)y 0.2898538E-17 GRAD(Rho)z -0.1001728E-16 Laplacian 0.3496810E-01 (-1/4)Del**2(Rho)) -0.8742026E-02 Diamond 0.9298874E-03 Metallicity 0.8086262E+00 Ellipticity -0.1396189E+01 Gb(Abramov) 0.7006189E-02 Vb(Abramov) -0.5270352E-02 Hb(Abramov) 0.1735837E-02 Ex_ueg -0.1441774E-02 Ec_ueg -0.3358305E-03 Delta_ex -0.1584520E-02 Delta_ec 0.4126768E-03 Delta_et -0.2939675E-02 Pxc 0.4293159E+01 Qxc -0.3839616E+01 3,+1 87 3 +1 -0.478768 -1.657223 0.478939 Rho 0.8926772E-02 |GRAD(Rho)| 0.1955414E-12 GRAD(Rho)x -0.6803365E-13 GRAD(Rho)y -0.1699101E-12 GRAD(Rho)z 0.6883639E-13 Laplacian 0.3239864E-01 (-1/4)Del**2(Rho)) -0.8099661E-02 Diamond 0.8161278E-03 Metallicity 0.8170408E+00 Ellipticity -0.1419807E+01 Gb(Abramov) 0.6502733E-02 Vb(Abramov) -0.4905805E-02 Hb(Abramov) 0.1596928E-02 Ex_ueg -0.1367658E-02 Ec_ueg -0.3196244E-03 Delta_ex -0.1452950E-02 Delta_ec 0.3823266E-03 Delta_et -0.2697404E-02 Pxc 0.4278955E+01 Qxc -0.3800285E+01 3,+1 88 3 +3 1.075860 -1.062358 -1.071427 Rho 0.5347288E-02 |GRAD(Rho)| 0.9903277E-14 GRAD(Rho)x -0.5806600E-14 GRAD(Rho)y 0.5765328E-14 GRAD(Rho)z 0.5578465E-14 Laplacian 0.1909336E-01 (-1/4)Del**2(Rho)) -0.4773341E-02 Diamond 0.1260298E-03 Metallicity 0.5901377E+00 Ellipticity -0.1615413E+00 Gb(Abramov) 0.3651715E-02 Vb(Abramov) -0.2530090E-02 Hb(Abramov) 0.1121626E-02 Ex_ueg -0.6906051E-03 Ec_ueg -0.1618885E-03 Delta_ex -0.6549858E-03 Delta_ec 0.5354461E-04 Delta_et -0.5163764E-03 Pxc 0.4265931E+01 Qxc -0.1223253E+02 3,+3 89 3 +1 0.189456 -0.180356 2.890675 Rho 0.5682508E-02 |GRAD(Rho)| 0.5464306E-14 GRAD(Rho)x 0.3739009E-14 GRAD(Rho)y -0.3950359E-14 GRAD(Rho)z 0.5225986E-15 Laplacian 0.2352324E-01 (-1/4)Del**2(Rho)) -0.5880811E-02 Diamond 0.5988777E-03 Metallicity 0.5300897E+00 Ellipticity -0.2335223E+01 Gb(Abramov) 0.4440100E-02 Vb(Abramov) -0.2999389E-02 Hb(Abramov) 0.1440711E-02 Ex_ueg -0.7489252E-03 Ec_ueg -0.1764011E-03 Delta_ex -0.1157817E-02 Delta_ec 0.6670755E-03 Delta_et -0.3793803E-02 Pxc 0.4245581E+01 Qxc -0.1735661E+01 3,+1 90 3 +1 -0.165131 -0.193315 -2.838593 Rho 0.5626546E-02 |GRAD(Rho)| 0.1801223E-16 GRAD(Rho)x -0.1659654E-16 GRAD(Rho)y 0.6968898E-17 GRAD(Rho)z -0.6556853E-18 Laplacian 0.2321909E-01 (-1/4)Del**2(Rho)) -0.5804771E-02 Diamond 0.5770780E-03 Metallicity 0.5282480E+00 Ellipticity -0.2368466E+01 Gb(Abramov) 0.4380907E-02 Vb(Abramov) -0.2957043E-02 Hb(Abramov) 0.1423864E-02 Ex_ueg -0.7391074E-03 Ec_ueg -0.1739745E-03 Delta_ex -0.1135603E-02 Delta_ec 0.6496243E-03 Delta_et -0.3687646E-02 Pxc 0.4248367E+01 Qxc -0.1748092E+01 3,+1 91 3 +1 1.334607 2.162052 -1.160850 Rho 0.2988303E-01 |GRAD(Rho)| 0.3314050E-16 GRAD(Rho)x 0.6658913E-17 GRAD(Rho)y 0.3185431E-16 GRAD(Rho)z -0.6265326E-17 Laplacian 0.1188200E+00 (-1/4)Del**2(Rho)) -0.2970500E-01 Diamond 0.2061989E-01 Metallicity 0.1668904E+01 Ellipticity -0.7019972E+01 Gb(Abramov) 0.2806580E-01 Vb(Abramov) -0.2642660E-01 Hb(Abramov) 0.1639204E-02 Ex_ueg -0.6848853E-02 Ec_ueg -0.1337575E-02 Delta_ex -0.7816928E-02 Delta_ec 0.2130887E-02 Delta_et -0.1962502E-01 Pxc 0.5120350E+01 Qxc -0.3668391E+01 3,+1 92 3 +3 1.060134 1.059268 1.073347 Rho 0.5141885E-02 |GRAD(Rho)| 0.6920651E-12 GRAD(Rho)x -0.2787134E-13 GRAD(Rho)y -0.6911335E-12 GRAD(Rho)z -0.2262169E-13 Laplacian 0.1751860E-01 (-1/4)Del**2(Rho)) -0.4379649E-02 Diamond 0.1070788E-03 Metallicity 0.6025381E+00 Ellipticity -0.4774559E-01 Gb(Abramov) 0.3359584E-02 Vb(Abramov) -0.2339518E-02 Hb(Abramov) 0.1020066E-02 Ex_ueg -0.6554631E-03 Ec_ueg -0.1530238E-03 Delta_ex -0.5920520E-03 Delta_ec 0.4516209E-04 Delta_et -0.4514577E-03 Pxc 0.4283406E+01 Qxc -0.1310949E+02 3,+3 93 3 +1 -0.490024 -0.486575 1.633900 Rho 0.8141745E-02 |GRAD(Rho)| 0.1021471E-12 GRAD(Rho)x -0.4377398E-13 GRAD(Rho)y -0.4391520E-13 GRAD(Rho)z 0.8117461E-13 Laplacian 0.2843859E-01 (-1/4)Del**2(Rho)) -0.7109648E-02 Diamond 0.6215969E-03 Metallicity 0.7984252E+00 Ellipticity -0.1407470E+01 Gb(Abramov) 0.5685853E-02 Vb(Abramov) -0.4262057E-02 Hb(Abramov) 0.1423796E-02 Ex_ueg -0.1209693E-02 Ec_ueg -0.2845234E-03 Delta_ex -0.1240267E-02 Delta_ec 0.3268352E-03 Delta_et -0.2263170E-02 Pxc 0.4251646E+01 Qxc -0.3794778E+01 3,+1 94 3 +3 0.018571 -0.004414 -2.331440 Rho 0.5114391E-02 |GRAD(Rho)| 0.2125069E-15 GRAD(Rho)x 0.5355090E-17 GRAD(Rho)y -0.2660570E-17 GRAD(Rho)z 0.2124228E-15 Laplacian 0.2057080E-01 (-1/4)Del**2(Rho)) -0.5142701E-02 Diamond 0.2190776E-03 Metallicity 0.5085712E+00 Ellipticity -0.3438405E+00 Gb(Abramov) 0.3864372E-02 Vb(Abramov) -0.2586043E-02 Hb(Abramov) 0.1278329E-02 Ex_ueg -0.6507941E-03 Ec_ueg -0.1518388E-03 Delta_ex -0.7790692E-03 Delta_ec 0.2046711E-03 Delta_et -0.1297793E-02 Pxc 0.4286085E+01 Qxc -0.3806444E+01 3,+3 95 3 +1 -0.201748 0.207729 2.887244 Rho 0.5680256E-02 |GRAD(Rho)| 0.1359778E-16 GRAD(Rho)x 0.9879867E-18 GRAD(Rho)y 0.1305456E-16 GRAD(Rho)z -0.3674497E-17 Laplacian 0.2352241E-01 (-1/4)Del**2(Rho)) -0.5880604E-02 Diamond 0.5965793E-03 Metallicity 0.5297583E+00 Ellipticity -0.2309211E+01 Gb(Abramov) 0.4439619E-02 Vb(Abramov) -0.2998634E-02 Hb(Abramov) 0.1440985E-02 Ex_ueg -0.7485295E-03 Ec_ueg -0.1763034E-03 Delta_ex -0.1156149E-02 Delta_ec 0.6643139E-03 Delta_et -0.3778863E-02 Pxc 0.4245689E+01 Qxc -0.1740365E+01 3,+1 96 3 +1 0.201610 -2.855127 0.218702 Rho 0.5951087E-02 |GRAD(Rho)| 0.1893415E-17 GRAD(Rho)x -0.1311208E-17 GRAD(Rho)y -0.1320346E-17 GRAD(Rho)z -0.3499173E-18 Laplacian 0.2508023E-01 (-1/4)Del**2(Rho)) -0.6270056E-02 Diamond 0.6747835E-03 Metallicity 0.5369603E+00 Ellipticity -0.2354837E+01 Gb(Abramov) 0.4741166E-02 Vb(Abramov) -0.3212276E-02 Hb(Abramov) 0.1528890E-02 Ex_ueg -0.7964896E-03 Ec_ueg -0.1880688E-03 Delta_ex -0.1242691E-02 Delta_ec 0.7050433E-03 Delta_et -0.4067618E-02 Pxc 0.4235097E+01 Qxc -0.1762575E+01 3,+1 97 3 -1 0.858659 -2.966294 2.004692 Rho 0.1262253E+00 |GRAD(Rho)| 0.3746360E-14 GRAD(Rho)x -0.2898750E-14 GRAD(Rho)y 0.1318830E-14 GRAD(Rho)z 0.1973106E-14 Laplacian 0.5020271E+00 (-1/4)Del**2(Rho)) -0.1255068E+00 Diamond 0.8327809E+00 Metallicity 0.4359769E+01 Ellipticity 0.3966117E-01 Gb(Abramov) 0.1748679E+00 Vb(Abramov) -0.2242291E+00 Hb(Abramov) -0.4936116E-01 Ex_ueg -0.4676422E-01 Ec_ueg -0.6939450E-02 Delta_ex -0.5177333E-01 Delta_ec 0.1341436E-01 Delta_et -0.1741460E+00 Pxc 0.6738895E+01 Qxc -0.3859546E+01 3,-1 98 3 -1 1.809347 -0.557510 -2.757650 Rho 0.1430464E+00 |GRAD(Rho)| 0.1343261E-11 GRAD(Rho)x -0.9887014E-12 GRAD(Rho)y -0.8794490E-12 GRAD(Rho)z -0.2310625E-12 Laplacian 0.6051229E+00 (-1/4)Del**2(Rho)) -0.1512807E+00 Diamond 0.1156099E+01 Metallicity 0.4455513E+01 Ellipticity 0.8882694E-02 Gb(Abramov) 0.2131927E+00 Vb(Abramov) -0.2751046E+00 Hb(Abramov) -0.6191196E-01 Ex_ueg -0.5525279E-01 Ec_ueg -0.7999879E-02 Delta_ex -0.6420944E-01 Delta_ec 0.1549210E-01 Delta_et -0.2047433E+00 Pxc 0.6906704E+01 Qxc -0.4144658E+01 3,-1 99 3 +1 1.736983 -1.730806 -1.702241 Rho 0.1260692E-01 |GRAD(Rho)| 0.1181952E-15 GRAD(Rho)x 0.1873887E-16 GRAD(Rho)y -0.7470261E-16 GRAD(Rho)z 0.8965758E-16 Laplacian 0.6443524E-01 (-1/4)Del**2(Rho)) -0.1610881E-01 Diamond 0.2762951E-02 Metallicity 0.7303062E+00 Ellipticity -0.1250898E+01 Gb(Abramov) 0.1269993E-01 Vb(Abramov) -0.9291058E-02 Hb(Abramov) 0.3408876E-02 Ex_ueg -0.2167025E-02 Ec_ueg -0.4876588E-03 Delta_ex -0.3208901E-02 Delta_ec 0.8364646E-03 Delta_et -0.6347983E-02 Pxc 0.4443732E+01 Qxc -0.3836266E+01 3,+1 100 3 +1 1.671398 -0.464598 -0.514264 Rho 0.9230273E-02 |GRAD(Rho)| 0.2307213E-17 GRAD(Rho)x 0.1263336E-18 GRAD(Rho)y -0.2244450E-17 GRAD(Rho)z -0.5193387E-18 Laplacian 0.3478355E-01 (-1/4)Del**2(Rho)) -0.8695888E-02 Diamond 0.9252541E-03 Metallicity 0.8046311E+00 Ellipticity -0.1402125E+01 Gb(Abramov) 0.6963422E-02 Vb(Abramov) -0.5230957E-02 Hb(Abramov) 0.1732466E-02 Ex_ueg -0.1430006E-02 Ec_ueg -0.3332677E-03 Delta_ex -0.1576910E-02 Delta_ec 0.4163696E-03 Delta_et -0.2955998E-02 Pxc 0.4290862E+01 Qxc -0.3787283E+01 3,+1 101 3 +1 2.174888 -1.039298 1.437052 Rho 0.3084806E-01 |GRAD(Rho)| 0.8761037E-16 GRAD(Rho)x 0.7776155E-16 GRAD(Rho)y -0.1168023E-16 GRAD(Rho)z 0.3863017E-16 Laplacian 0.1200697E+00 (-1/4)Del**2(Rho)) -0.3001741E-01 Diamond 0.1796888E-01 Metallicity 0.1741378E+01 Ellipticity -0.2619363E+01 Gb(Abramov) 0.2872355E-01 Vb(Abramov) -0.2742969E-01 Hb(Abramov) 0.1293862E-02 Ex_ueg -0.7145328E-02 Ec_ueg -0.1387434E-02 Delta_ex -0.7654915E-02 Delta_ec 0.1596555E-02 Delta_et -0.1485140E-01 Pxc 0.5150033E+01 Qxc -0.4794646E+01 3,+1 102 3 -1 1.753075 -0.552892 1.730933 Rho 0.4411208E-01 |GRAD(Rho)| 0.1584477E-15 GRAD(Rho)x -0.1180982E-15 GRAD(Rho)y -0.4409442E-16 GRAD(Rho)z -0.9599043E-16 Laplacian 0.1777532E+00 (-1/4)Del**2(Rho)) -0.4443829E-01 Diamond 0.7384752E-01 Metallicity 0.2134970E+01 Ellipticity 0.1271951E-01 Gb(Abramov) 0.4543793E-01 Vb(Abramov) -0.4643757E-01 Hb(Abramov) -0.9996378E-03 Ex_ueg -0.1151141E-01 Ec_ueg -0.2092094E-02 Delta_ex -0.1406956E-01 Delta_ec 0.5105799E-02 Delta_et -0.5205442E-01 Pxc 0.5502338E+01 Qxc -0.2755604E+01 3,-1 103 3 +1 0.496901 0.499547 1.632408 Rho 0.8187457E-02 |GRAD(Rho)| 0.2841254E-15 GRAD(Rho)x -0.2392678E-15 GRAD(Rho)y 0.4639534E-16 GRAD(Rho)z -0.1460331E-15 Laplacian 0.2857826E-01 (-1/4)Del**2(Rho)) -0.7144565E-02 Diamond 0.6283292E-03 Metallicity 0.8019717E+00 Ellipticity -0.1408504E+01 Gb(Abramov) 0.5718000E-02 Vb(Abramov) -0.4291435E-02 Hb(Abramov) 0.1426565E-02 Ex_ueg -0.1218757E-02 Ec_ueg -0.2865598E-03 Delta_ex -0.1247639E-02 Delta_ec 0.3274824E-03 Delta_et -0.2271713E-02 Pxc 0.4253064E+01 Qxc -0.3809790E+01 3,+1 104 3 -1 1.988782 -0.837487 3.004756 Rho 0.1421827E+00 |GRAD(Rho)| 0.9870756E-14 GRAD(Rho)x 0.4677316E-14 GRAD(Rho)y 0.6252187E-14 GRAD(Rho)z -0.6038600E-14 Laplacian 0.5614248E+00 (-1/4)Del**2(Rho)) -0.1403562E+00 Diamond 0.1069972E+01 Metallicity 0.4754076E+01 Ellipticity 0.3206789E-01 Gb(Abramov) 0.2047815E+00 Vb(Abramov) -0.2692067E+00 Hb(Abramov) -0.6442526E-01 Ex_ueg -0.5480842E-01 Ec_ueg -0.7944986E-02 Delta_ex -0.5953950E-01 Delta_ec 0.1449278E-01 Delta_et -0.1915756E+00 Pxc 0.6898492E+01 Qxc -0.4108217E+01 3,-1 105 3 -1 1.730497 0.556592 -1.740381 Rho 0.4871484E-01 |GRAD(Rho)| 0.8541907E-16 GRAD(Rho)x 0.4906184E-16 GRAD(Rho)y -0.9932520E-17 GRAD(Rho)z -0.6921487E-16 Laplacian 0.1999809E+00 (-1/4)Del**2(Rho)) -0.4999522E-01 Diamond 0.9605463E-01 Metallicity 0.2239031E+01 Ellipticity 0.1315081E-01 Gb(Abramov) 0.5198695E-01 Vb(Abramov) -0.5397869E-01 Hb(Abramov) -0.1991735E-02 Ex_ueg -0.1314014E-01 Ec_ueg -0.2343959E-02 Delta_ex -0.1627334E-01 Delta_ec 0.5816764E-02 Delta_et -0.6088260E-01 Pxc 0.5605961E+01 Qxc -0.2797662E+01 3,-1 106 3 +1 1.279721 -1.208498 2.159670 Rho 0.2910877E-01 |GRAD(Rho)| 0.2206280E-16 GRAD(Rho)x -0.1463088E-16 GRAD(Rho)y -0.1083743E-16 GRAD(Rho)z -0.1246011E-16 Laplacian 0.1162103E+00 (-1/4)Del**2(Rho)) -0.2905257E-01 Diamond 0.2034325E-01 Metallicity 0.1633335E+01 Ellipticity -0.1338418E+02 Gb(Abramov) 0.2727714E-01 Vb(Abramov) -0.2550171E-01 Hb(Abramov) 0.1775429E-02 Ex_ueg -0.6613280E-02 Ec_ueg -0.1297729E-02 Delta_ex -0.7670802E-02 Delta_ec 0.2225296E-02 Delta_et -0.2034904E-01 Pxc 0.5096042E+01 Qxc -0.3447094E+01 3,+1 107 3 +1 0.492332 1.669470 0.472461 Rho 0.8913185E-02 |GRAD(Rho)| 0.4998789E-13 GRAD(Rho)x -0.1276796E-13 GRAD(Rho)y 0.3337105E-13 GRAD(Rho)z -0.3495915E-13 Laplacian 0.3237387E-01 (-1/4)Del**2(Rho)) -0.8093467E-02 Diamond 0.8151837E-03 Metallicity 0.8155930E+00 Ellipticity -0.1420213E+01 Gb(Abramov) 0.6495807E-02 Vb(Abramov) -0.4898147E-02 Hb(Abramov) 0.1597660E-02 Ex_ueg -0.1364884E-02 Ec_ueg -0.3190146E-03 Delta_ex -0.1451853E-02 Delta_ec 0.3830901E-03 Delta_et -0.2700776E-02 Pxc 0.4278437E+01 Qxc -0.3789848E+01 3,+1 108 3 -1 -1.717538 -1.723691 -0.555937 Rho 0.4524301E-01 |GRAD(Rho)| 0.2281329E-15 GRAD(Rho)x -0.1879045E-15 GRAD(Rho)y 0.4370139E-16 GRAD(Rho)z -0.1217650E-15 Laplacian 0.1839118E+00 (-1/4)Del**2(Rho)) -0.4597796E-01 Diamond 0.7929617E-01 Metallicity 0.2152399E+01 Ellipticity 0.1137276E-01 Gb(Abramov) 0.4714579E-01 Vb(Abramov) -0.4831362E-01 Hb(Abramov) -0.1167830E-02 Ex_ueg -0.1190658E-01 Ec_ueg -0.2153663E-02 Delta_ex -0.1466056E-01 Delta_ec 0.5300458E-02 Delta_et -0.5440384E-01 Pxc 0.5528525E+01 Qxc -0.2765904E+01 3,-1 109 3 -1 -3.193871 -3.190861 0.074795 Rho 0.2588873E+00 |GRAD(Rho)| 0.1632913E-13 GRAD(Rho)x 0.2531612E-15 GRAD(Rho)y -0.1625555E-13 GRAD(Rho)z 0.1527587E-14 Laplacian 0.9303925E+00 (-1/4)Del**2(Rho)) -0.2325981E+00 Diamond 0.3594256E+01 Metallicity 0.7788697E+01 Ellipticity 0.1279754E-02 Gb(Abramov) 0.4570048E+00 Vb(Abramov) -0.6814115E+00 Hb(Abramov) -0.2244067E+00 Ex_ueg -0.1218614E+00 Ec_ueg -0.1575450E-01 Delta_ex -0.1146157E+00 Delta_ec 0.1999768E-01 Delta_et -0.2770577E+00 Pxc 0.7735020E+01 Qxc -0.5731451E+01 3,-1 110 3 -1 -1.770947 0.541144 -2.776328 Rho 0.1423592E+00 |GRAD(Rho)| 0.4388038E-15 GRAD(Rho)x -0.2746284E-15 GRAD(Rho)y -0.3329178E-15 GRAD(Rho)z 0.7933311E-16 Laplacian 0.6024090E+00 (-1/4)Del**2(Rho)) -0.1506023E+00 Diamond 0.1144623E+01 Metallicity 0.4439807E+01 Ellipticity 0.8936411E-02 Gb(Abramov) 0.2118423E+00 Vb(Abramov) -0.2730824E+00 Hb(Abramov) -0.6124006E-01 Ex_ueg -0.5489915E-01 Ec_ueg -0.7956199E-02 Delta_ex -0.6385002E-01 Delta_ec 0.1544747E-01 Delta_et -0.2040233E+00 Pxc 0.6900173E+01 Qxc -0.4133365E+01 3,-1 111 3 -1 -2.729457 0.543998 -1.804939 Rho 0.1181995E+00 |GRAD(Rho)| 0.1114558E-15 GRAD(Rho)x 0.1716766E-16 GRAD(Rho)y -0.9345145E-16 GRAD(Rho)z -0.5826231E-16 Laplacian 0.4909928E+00 (-1/4)Del**2(Rho)) -0.1227482E+00 Diamond 0.7546307E+00 Metallicity 0.3995435E+01 Ellipticity 0.1350684E-01 Gb(Abramov) 0.1635709E+00 Vb(Abramov) -0.2043935E+00 Hb(Abramov) -0.4082267E-01 Ex_ueg -0.4284228E-01 Ec_ueg -0.6440132E-02 Delta_ex -0.4987560E-01 Delta_ec 0.1337152E-01 Delta_et -0.1717000E+00 Pxc 0.6652391E+01 Qxc -0.3729987E+01 3,-1 112 3 +3 -2.314978 -0.042999 -0.042431 Rho 0.5048789E-02 |GRAD(Rho)| 0.5350913E-14 GRAD(Rho)x -0.5349057E-14 GRAD(Rho)y -0.1018205E-15 GRAD(Rho)z -0.9740271E-16 Laplacian 0.2051332E-01 (-1/4)Del**2(Rho)) -0.5128330E-02 Diamond 0.2121321E-03 Metallicity 0.4991402E+00 Ellipticity -0.4212286E+00 Gb(Abramov) 0.3845512E-02 Vb(Abramov) -0.2562695E-02 Hb(Abramov) 0.1282817E-02 Ex_ueg -0.6396877E-03 Ec_ueg -0.1490130E-03 Delta_ex -0.7720135E-03 Delta_ec 0.1999495E-03 Delta_et -0.1269188E-02 Pxc 0.4292832E+01 Qxc -0.3861042E+01 3,+3 113 3 -1 -1.749509 0.574368 1.712426 Rho 0.4431546E-01 |GRAD(Rho)| 0.8106598E-14 GRAD(Rho)x -0.5164661E-14 GRAD(Rho)y -0.3014834E-14 GRAD(Rho)z 0.5473024E-14 Laplacian 0.1786818E+00 (-1/4)Del**2(Rho)) -0.4467046E-01 Diamond 0.7477534E-01 Metallicity 0.2140219E+01 Ellipticity 0.1325934E-01 Gb(Abramov) 0.4571440E-01 Vb(Abramov) -0.4675834E-01 Hb(Abramov) -0.1043941E-02 Ex_ueg -0.1158223E-01 Ec_ueg -0.2103150E-02 Delta_ex -0.1416328E-01 Delta_ec 0.5139175E-02 Delta_et -0.5245955E-01 Pxc 0.5507085E+01 Qxc -0.2755945E+01 3,-1 114 3 -1 -1.997782 0.871443 2.982779 Rho 0.1444000E+00 |GRAD(Rho)| 0.1537096E-13 GRAD(Rho)x -0.9793517E-14 GRAD(Rho)y -0.1099255E-13 GRAD(Rho)z -0.4417839E-14 Laplacian 0.5708476E+00 (-1/4)Del**2(Rho)) -0.1427119E+00 Diamond 0.1108010E+01 Metallicity 0.4797758E+01 Ellipticity 0.3449167E-01 Gb(Abramov) 0.2092575E+00 Vb(Abramov) -0.2758030E+00 Hb(Abramov) -0.6654555E-01 Ex_ueg -0.5595102E-01 Ec_ueg -0.8086003E-02 Delta_ex -0.6076443E-01 Delta_ec 0.1467412E-01 Delta_et -0.1944033E+00 Pxc 0.6919490E+01 Qxc -0.4140926E+01 3,-1 115 3 +3 -0.024594 -2.298245 -0.016643 Rho 0.5192811E-02 |GRAD(Rho)| 0.4577396E-17 GRAD(Rho)x -0.4148040E-17 GRAD(Rho)y -0.9784471E-19 GRAD(Rho)z 0.1933066E-17 Laplacian 0.2098520E-01 (-1/4)Del**2(Rho)) -0.5246300E-02 Diamond 0.2155603E-03 Metallicity 0.5113336E+00 Ellipticity -0.4015150E+00 Gb(Abramov) 0.3944635E-02 Vb(Abramov) -0.2642970E-02 Hb(Abramov) 0.1301665E-02 Ex_ueg -0.6641331E-03 Ec_ueg -0.1552197E-03 Delta_ex -0.7867351E-03 Delta_ec 0.1889341E-03 Delta_et -0.1227741E-02 Pxc 0.4278666E+01 Qxc -0.4164071E+01 3,+3 116 3 -1 0.096308 -3.224322 -3.169270 Rho 0.2591999E+00 |GRAD(Rho)| 0.1917275E-10 GRAD(Rho)x 0.4005286E-11 GRAD(Rho)y -0.1350345E-10 GRAD(Rho)z -0.1300804E-10 Laplacian 0.9369557E+00 (-1/4)Del**2(Rho)) -0.2342389E+00 Diamond 0.3619821E+01 Metallicity 0.7749712E+01 Ellipticity 0.3042788E-02 Gb(Abramov) 0.4587067E+00 Vb(Abramov) -0.6831744E+00 Hb(Abramov) -0.2244678E+00 Ex_ueg -0.1220576E+00 Ec_ueg -0.1577644E-01 Delta_ex -0.1154367E+00 Delta_ec 0.2008788E-01 Delta_et -0.2780989E+00 Pxc 0.7736704E+01 Qxc -0.5746584E+01 3,-1 117 3 +1 -0.216041 -2.869548 -0.208025 Rho 0.5839725E-02 |GRAD(Rho)| 0.2773047E-16 GRAD(Rho)x -0.2275178E-16 GRAD(Rho)y 0.3213800E-17 GRAD(Rho)z -0.1552440E-16 Laplacian 0.2466036E-01 (-1/4)Del**2(Rho)) -0.6165091E-02 Diamond 0.6057023E-03 Metallicity 0.5291771E+00 Ellipticity -0.1875709E+01 Gb(Abramov) 0.4653798E-02 Vb(Abramov) -0.3142505E-02 Hb(Abramov) 0.1511293E-02 Ex_ueg -0.7766791E-03 Ec_ueg -0.1832267E-03 Delta_ex -0.1186118E-02 Delta_ec 0.6378209E-03 Delta_et -0.3683896E-02 Pxc 0.4238897E+01 Qxc -0.1859641E+01 3,+1 118 3 -1 0.037341 -2.871864 0.050228 Rho 0.6003074E-02 |GRAD(Rho)| 0.2914151E-16 GRAD(Rho)x 0.1379069E-16 GRAD(Rho)y 0.1322512E-16 GRAD(Rho)z 0.2200319E-16 Laplacian 0.2430920E-01 (-1/4)Del**2(Rho)) -0.6077300E-02 Diamond 0.8395981E-03 Metallicity 0.5620806E+00 Ellipticity 0.1736541E+01 Gb(Abramov) 0.4620856E-02 Vb(Abramov) -0.3164411E-02 Hb(Abramov) 0.1456445E-02 Ex_ueg -0.8057803E-03 Ec_ueg -0.1903313E-03 Delta_ex -0.1336063E-02 Delta_ec 0.9144334E-03 Delta_et -0.5187155E-02 Pxc 0.4233567E+01 Qxc -0.1461083E+01 3,-1 119 3 -1 -0.556705 -2.749132 1.814829 Rho 0.1429309E+00 |GRAD(Rho)| 0.2285973E-15 GRAD(Rho)x -0.4815213E-16 GRAD(Rho)y -0.8525217E-16 GRAD(Rho)z -0.2065676E-15 Laplacian 0.6044545E+00 (-1/4)Del**2(Rho)) -0.1511136E+00 Diamond 0.1152666E+01 Metallicity 0.4454442E+01 Ellipticity 0.7196870E-02 Gb(Abramov) 0.2129302E+00 Vb(Abramov) -0.2747468E+00 Hb(Abramov) -0.6181660E-01 Ex_ueg -0.5519335E-01 Ec_ueg -0.7992539E-02 Delta_ex -0.6411485E-01 Delta_ec 0.1545839E-01 Delta_et -0.2042312E+00 Pxc 0.6905608E+01 Qxc -0.4147577E+01 3,-1 120 3 -1 -0.075747 -3.182721 3.217983 Rho 0.2596871E+00 |GRAD(Rho)| 0.1177194E-14 GRAD(Rho)x 0.1817394E-15 GRAD(Rho)y 0.8010086E-15 GRAD(Rho)z -0.8432924E-15 Laplacian 0.9339037E+00 (-1/4)Del**2(Rho)) -0.2334759E+00 Diamond 0.3623845E+01 Metallicity 0.7799411E+01 Ellipticity 0.2630360E-02 Gb(Abramov) 0.4591464E+00 Vb(Abramov) -0.6848169E+00 Hb(Abramov) -0.2256705E+00 Ex_ueg -0.1223636E+00 Ec_ueg -0.1581063E-01 Delta_ex -0.1151543E+00 Delta_ec 0.2007621E-01 Delta_et -0.2782631E+00 Pxc 0.7739323E+01 Qxc -0.5735858E+01 3,-1 121 3 -1 -0.535648 -1.734527 -1.730833 Rho 0.4793990E-01 |GRAD(Rho)| 0.1195744E-14 GRAD(Rho)x -0.8823544E-15 GRAD(Rho)y 0.6569837E-15 GRAD(Rho)z -0.4686434E-15 Laplacian 0.1963938E+00 (-1/4)Del**2(Rho)) -0.4909844E-01 Diamond 0.9226130E-01 Metallicity 0.2219800E+01 Ellipticity 0.1450974E-01 Gb(Abramov) 0.5089709E-01 Vb(Abramov) -0.5269573E-01 Hb(Abramov) -0.1798643E-02 Ex_ueg -0.1286218E-01 Ec_ueg -0.2301319E-02 Delta_ex -0.1591527E-01 Delta_ec 0.5710233E-02 Delta_et -0.5951748E-01 Pxc 0.5589045E+01 Qxc -0.2787149E+01 3,-1 122 3 -1 -0.568841 -1.779905 2.788071 Rho 0.1471600E+00 |GRAD(Rho)| 0.3261360E-15 GRAD(Rho)x 0.1666283E-15 GRAD(Rho)y 0.2774744E-15 GRAD(Rho)z -0.4009515E-16 Laplacian 0.6213776E+00 (-1/4)Del**2(Rho)) -0.1553444E+00 Diamond 0.1230255E+01 Metallicity 0.4548911E+01 Ellipticity 0.7895790E-02 Gb(Abramov) 0.2213376E+00 Vb(Abramov) -0.2873307E+00 Hb(Abramov) -0.6599317E-01 Ex_ueg -0.5738146E-01 Ec_ueg -0.8261964E-02 Delta_ex -0.6641374E-01 Delta_ec 0.1583356E-01 Delta_et -0.2101938E+00 Pxc 0.6945256E+01 Qxc -0.4194491E+01 3,-1 123 3 +1 -2.145299 -1.333096 -1.144275 Rho 0.3007984E-01 |GRAD(Rho)| 0.2154472E-14 GRAD(Rho)x -0.1383944E-14 GRAD(Rho)y -0.1455749E-14 GRAD(Rho)z 0.7792596E-15 Laplacian 0.1193070E+00 (-1/4)Del**2(Rho)) -0.2982675E-01 Diamond 0.2055196E-01 Metallicity 0.1680376E+01 Ellipticity -0.6034183E+01 Gb(Abramov) 0.2823785E-01 Vb(Abramov) -0.2664896E-01 Hb(Abramov) 0.1588892E-02 Ex_ueg -0.6909061E-02 Ec_ueg -0.1347726E-02 Delta_ex -0.7833892E-02 Delta_ec 0.2088041E-02 Delta_et -0.1926522E-01 Pxc 0.5126458E+01 Qxc -0.3751790E+01 3,+1 124 3 -1 0.561850 -1.729739 1.730515 Rho 0.4469845E-01 |GRAD(Rho)| 0.4283479E-15 GRAD(Rho)x 0.3775046E-15 GRAD(Rho)y -0.1466690E-15 GRAD(Rho)z -0.1395004E-15 Laplacian 0.1795354E+00 (-1/4)Del**2(Rho)) -0.4488385E-01 Diamond 0.7618179E-01 Metallicity 0.2160813E+01 Ellipticity 0.2200614E-01 Gb(Abramov) 0.4608684E-01 Vb(Abramov) -0.4728982E-01 Hb(Abramov) -0.1202987E-02 Ex_ueg -0.1171588E-01 Ec_ueg -0.2123990E-02 Delta_ex -0.1427001E-01 Delta_ec 0.5178108E-02 Delta_et -0.5297977E-01 Pxc 0.5515978E+01 Qxc -0.2755835E+01 3,-1 125 3 -1 0.847131 -1.968593 3.003827 Rho 0.1431135E+00 |GRAD(Rho)| 0.2492208E-12 GRAD(Rho)x -0.1709908E-12 GRAD(Rho)y -0.1659665E-12 GRAD(Rho)z -0.7299494E-13 Laplacian 0.5658816E+00 (-1/4)Del**2(Rho)) -0.1414704E+00 Diamond 0.1085779E+01 Metallicity 0.4768210E+01 Ellipticity 0.3498654E-01 Gb(Abramov) 0.2067404E+00 Vb(Abramov) -0.2720103E+00 Hb(Abramov) -0.6526997E-01 Ex_ueg -0.5528738E-01 Ec_ueg -0.8004148E-02 Delta_ex -0.6009530E-01 Delta_ec 0.1456232E-01 Delta_et -0.1926338E+00 Pxc 0.6907340E+01 Qxc -0.4126768E+01 3,-1 126 3 -1 -0.005080 0.012474 2.891873 Rho 0.5752544E-02 |GRAD(Rho)| 0.1934521E-17 GRAD(Rho)x 0.1134041E-17 GRAD(Rho)y 0.6710102E-18 GRAD(Rho)z 0.1416357E-17 Laplacian 0.2294401E-01 (-1/4)Del**2(Rho)) -0.5736003E-02 Diamond 0.7507277E-03 Metallicity 0.5546816E+00 Ellipticity 0.2039709E+01 Gb(Abramov) 0.4354278E-02 Vb(Abramov) -0.2972553E-02 Hb(Abramov) 0.1381725E-02 Ex_ueg -0.7612576E-03 Ec_ueg -0.1794402E-03 Delta_ex -0.1252967E-02 Delta_ec 0.8663919E-03 Delta_et -0.4850149E-02 Pxc 0.4242403E+01 Qxc -0.1446189E+01 3,-1 127 3 +1 0.203796 0.178675 -2.838705 Rho 0.5626665E-02 |GRAD(Rho)| 0.4365503E-15 GRAD(Rho)x 0.3167826E-15 GRAD(Rho)y 0.3003729E-15 GRAD(Rho)z -0.1057796E-17 Laplacian 0.2322661E-01 (-1/4)Del**2(Rho)) -0.5806653E-02 Diamond 0.5780196E-03 Metallicity 0.5280954E+00 Ellipticity -0.2375087E+01 Gb(Abramov) 0.4382180E-02 Vb(Abramov) -0.2957707E-02 Hb(Abramov) 0.1424473E-02 Ex_ueg -0.7391282E-03 Ec_ueg -0.1739796E-03 Delta_ex -0.1136562E-02 Delta_ec 0.6508802E-03 Delta_et -0.3694330E-02 Pxc 0.4248361E+01 Qxc -0.1746192E+01 3,+1 128 3 +1 1.672544 0.500384 0.485457 Rho 0.8809041E-02 |GRAD(Rho)| 0.1426509E-16 GRAD(Rho)x -0.5708066E-17 GRAD(Rho)y -0.1246153E-16 GRAD(Rho)z 0.3952322E-17 Laplacian 0.3186633E-01 (-1/4)Del**2(Rho)) -0.7966583E-02 Diamond 0.7916301E-03 Metallicity 0.8125102E+00 Ellipticity -0.1422680E+01 Gb(Abramov) 0.6389877E-02 Vb(Abramov) -0.4813171E-02 Hb(Abramov) 0.1576706E-02 Ex_ueg -0.1343662E-02 Ec_ueg -0.3143429E-03 Delta_ex -0.1425595E-02 Delta_ec 0.3786538E-03 Delta_et -0.2660348E-02 Pxc 0.4274510E+01 Qxc -0.3764904E+01 3,+1 129 3 +1 2.878105 0.202331 -0.178144 Rho 0.5557595E-02 |GRAD(Rho)| 0.1017451E-13 GRAD(Rho)x 0.8696020E-15 GRAD(Rho)y 0.7214053E-14 GRAD(Rho)z -0.7121929E-14 Laplacian 0.2333560E-01 (-1/4)Del**2(Rho)) -0.5833901E-02 Diamond 0.5559103E-03 Metallicity 0.5149190E+00 Ellipticity -0.1991727E+01 Gb(Abramov) 0.4389932E-02 Vb(Abramov) -0.2945962E-02 Hb(Abramov) 0.1443969E-02 Ex_ueg -0.7270555E-03 Ec_ueg -0.1709867E-03 Delta_ex -0.1126728E-02 Delta_ec 0.6319856E-03 Delta_et -0.3583846E-02 Pxc 0.4252116E+01 Qxc -0.1782838E+01 3,+1 130 3 -1 2.769821 0.573175 1.823635 Rho 0.1425672E+00 |GRAD(Rho)| 0.1103149E-15 GRAD(Rho)x -0.9599255E-16 GRAD(Rho)y 0.4306993E-16 GRAD(Rho)z 0.3316303E-16 Laplacian 0.6029942E+00 (-1/4)Del**2(Rho)) -0.1507486E+00 Diamond 0.1147912E+01 Metallicity 0.4446305E+01 Ellipticity 0.7650781E-02 Gb(Abramov) 0.2122114E+00 Vb(Abramov) -0.2736742E+00 Hb(Abramov) -0.6146284E-01 Ex_ueg -0.5500614E-01 Ec_ueg -0.7969418E-02 Delta_ex -0.6393661E-01 Delta_ec 0.1546010E-01 Delta_et -0.2042407E+00 Pxc 0.6902153E+01 Qxc -0.4135590E+01 3,-1 131 3 -1 1.798174 0.573831 2.787843 Rho 0.1398439E+00 |GRAD(Rho)| 0.1318479E-15 GRAD(Rho)x 0.1170125E-15 GRAD(Rho)y -0.5506392E-16 GRAD(Rho)z 0.2568882E-16 Laplacian 0.5912044E+00 (-1/4)Del**2(Rho)) -0.1478011E+00 Diamond 0.1103098E+01 Metallicity 0.4391516E+01 Ellipticity 0.8559352E-02 Gb(Abramov) 0.2067126E+00 Vb(Abramov) -0.2656240E+00 Hb(Abramov) -0.5891145E-01 Ex_ueg -0.5360964E-01 Ec_ueg -0.7796579E-02 Delta_ex -0.6242953E-01 Delta_ec 0.1529595E-01 Delta_et -0.2016319E+00 Pxc 0.6876047E+01 Qxc -0.4081442E+01 3,-1 132 3 +1 1.723961 1.740012 1.740699 Rho 0.1249891E-01 |GRAD(Rho)| 0.1569736E-16 GRAD(Rho)x -0.9859680E-17 GRAD(Rho)y 0.1101632E-16 GRAD(Rho)z -0.5275855E-17 Laplacian 0.6381476E-01 (-1/4)Del**2(Rho)) -0.1595369E-01 Diamond 0.2696088E-02 Metallicity 0.7269075E+00 Ellipticity -0.1240646E+01 Gb(Abramov) 0.1256860E-01 Vb(Abramov) -0.9183516E-02 Hb(Abramov) 0.3385087E-02 Ex_ueg -0.2142306E-02 Ec_ueg -0.4826493E-03 Delta_ex -0.3168544E-02 Delta_ec 0.8244343E-03 Delta_et -0.6246575E-02 Pxc 0.4438638E+01 Qxc -0.3843294E+01 3,+1 133 3 -1 2.751984 -1.779444 -0.513494 Rho 0.1613295E+00 |GRAD(Rho)| 0.4175027E-15 GRAD(Rho)x 0.1190996E-15 GRAD(Rho)y 0.1804926E-15 GRAD(Rho)z -0.3571362E-15 Laplacian 0.6829527E+00 (-1/4)Del**2(Rho)) -0.1707382E+00 Diamond 0.1480477E+01 Metallicity 0.4824054E+01 Ellipticity 0.2676240E-01 Gb(Abramov) 0.2511005E+00 Vb(Abramov) -0.3314627E+00 Hb(Abramov) -0.8036229E-01 Ex_ueg -0.6486395E-01 Ec_ueg -0.9172665E-02 Delta_ex -0.7440241E-01 Delta_ec 0.1652980E-01 Delta_et -0.2209406E+00 Pxc 0.7071440E+01 Qxc -0.4501109E+01 3,-1 134 3 +3 2.335259 0.050030 -0.022982 Rho 0.5021643E-02 |GRAD(Rho)| 0.2240506E-15 GRAD(Rho)x 0.1430509E-15 GRAD(Rho)y 0.1154029E-15 GRAD(Rho)z -0.1281300E-15 Laplacian 0.2034712E-01 (-1/4)Del**2(Rho)) -0.5086780E-02 Diamond 0.2098071E-03 Metallicity 0.4987159E+00 Ellipticity -0.4136279E+00 Gb(Abramov) 0.3813996E-02 Vb(Abramov) -0.2541213E-02 Hb(Abramov) 0.1272784E-02 Ex_ueg -0.6351059E-03 Ec_ueg -0.1478443E-03 Delta_ex -0.7655618E-03 Delta_ec 0.1998611E-03 Delta_et -0.1264975E-02 Pxc 0.4295775E+01 Qxc -0.3830470E+01 3,+3 135 3 -1 1.738258 1.729919 -0.557119 Rho 0.4527820E-01 |GRAD(Rho)| 0.2909223E-14 GRAD(Rho)x 0.8884499E-15 GRAD(Rho)y 0.2115170E-14 GRAD(Rho)z 0.1788936E-14 Laplacian 0.1842251E+00 (-1/4)Del**2(Rho)) -0.4605628E-01 Diamond 0.7952498E-01 Metallicity 0.2151524E+01 Ellipticity 0.1109286E-01 Gb(Abramov) 0.4721939E-01 Vb(Abramov) -0.4838249E-01 Hb(Abramov) -0.1163107E-02 Ex_ueg -0.1191893E-01 Ec_ueg -0.2155582E-02 Delta_ex -0.1468888E-01 Delta_ec 0.5310308E-02 Delta_et -0.5451626E-01 Pxc 0.5529332E+01 Qxc -0.2766107E+01 3,-1 136 3 -1 -3.166419 0.051783 -3.215562 Rho 0.2592455E+00 |GRAD(Rho)| 0.5224280E-15 GRAD(Rho)x -0.2032879E-15 GRAD(Rho)y 0.7258734E-16 GRAD(Rho)z -0.4757479E-15 Laplacian 0.9398726E+00 (-1/4)Del**2(Rho)) -0.2349681E+00 Diamond 0.3629677E+01 Metallicity 0.7727927E+01 Ellipticity 0.4224011E-02 Gb(Abramov) 0.4592815E+00 Vb(Abramov) -0.6835949E+00 Hb(Abramov) -0.2243134E+00 Ex_ueg -0.1220863E+00 Ec_ueg -0.1577964E-01 Delta_ex -0.1157909E+00 Delta_ec 0.2013060E-01 Delta_et -0.2785991E+00 Pxc 0.7736949E+01 Qxc -0.5751986E+01 3,-1 137 3 +1 -2.859800 -0.199290 -0.205247 Rho 0.5590016E-02 |GRAD(Rho)| 0.3823548E-14 GRAD(Rho)x -0.3110061E-15 GRAD(Rho)y -0.2703974E-14 GRAD(Rho)z -0.2685390E-14 Laplacian 0.2353515E-01 (-1/4)Del**2(Rho)) -0.5883787E-02 Diamond 0.5593828E-03 Metallicity 0.5155269E+00 Ellipticity -0.1938327E+01 Gb(Abramov) 0.4428066E-02 Vb(Abramov) -0.2972346E-02 Hb(Abramov) 0.1455721E-02 Ex_ueg -0.7327162E-03 Ec_ueg -0.1723913E-03 Delta_ex -0.1133172E-02 Delta_ec 0.6292595E-03 Delta_et -0.3578276E-02 Pxc 0.4250309E+01 Qxc -0.1800803E+01 3,+1 138 3 -1 -2.760852 -1.791428 0.564315 Rho 0.1417937E+00 |GRAD(Rho)| 0.1093696E-13 GRAD(Rho)x -0.8481266E-14 GRAD(Rho)y 0.5622063E-14 GRAD(Rho)z -0.4009705E-14 Laplacian 0.6000990E+00 (-1/4)Del**2(Rho)) -0.1500248E+00 Diamond 0.1136848E+01 Metallicity 0.4427431E+01 Ellipticity 0.8741036E-02 Gb(Abramov) 0.2107205E+00 Vb(Abramov) -0.2714163E+00 Hb(Abramov) -0.6069579E-01 Ex_ueg -0.5460859E-01 Ec_ueg -0.7920280E-02 Delta_ex -0.6356545E-01 Delta_ec 0.1544259E-01 Delta_et -0.2039227E+00 Pxc 0.6894780E+01 Qxc -0.4116243E+01 3,-1 139 3 -1 -3.216608 -0.045401 3.199039 Rho 0.2596029E+00 |GRAD(Rho)| 0.9418483E-15 GRAD(Rho)x -0.6039006E-15 GRAD(Rho)y -0.4203994E-16 GRAD(Rho)z 0.7215365E-15 Laplacian 0.9328869E+00 (-1/4)Del**2(Rho)) -0.2332217E+00 Diamond 0.3618432E+01 Metallicity 0.7803693E+01 Ellipticity 0.2510432E-02 Gb(Abramov) 0.4588130E+00 Vb(Abramov) -0.6844042E+00 Hb(Abramov) -0.2255912E+00 Ex_ueg -0.1223107E+00 Ec_ueg -0.1580472E-01 Delta_ex -0.1150188E+00 Delta_ec 0.2005591E-01 Delta_et -0.2779785E+00 Pxc 0.7738871E+01 Qxc -0.5734910E+01 3,-1 140 3 -1 -2.852222 0.097313 0.100024 Rho 0.5742812E-02 |GRAD(Rho)| 0.1041778E-15 GRAD(Rho)x 0.8246584E-17 GRAD(Rho)y 0.8114575E-16 GRAD(Rho)z 0.6481035E-16 Laplacian 0.2364941E-01 (-1/4)Del**2(Rho)) -0.5912352E-02 Diamond 0.7207055E-03 Metallicity 0.5366205E+00 Ellipticity 0.1473580E+02 Gb(Abramov) 0.4470349E-02 Vb(Abramov) -0.3028347E-02 Hb(Abramov) 0.1442002E-02 Ex_ueg -0.7595410E-03 Ec_ueg -0.1790178E-03 Delta_ex -0.1251449E-02 Delta_ec 0.8222610E-03 Delta_et -0.4624160E-02 Pxc 0.4242824E+01 Qxc -0.1521960E+01 3,-1 141 3 -1 0.526596 -0.512127 0.480760 Rho 0.1913512E+00 |GRAD(Rho)| 0.8989758E-15 GRAD(Rho)x -0.7266389E-15 GRAD(Rho)y 0.4759662E-15 GRAD(Rho)z -0.2315373E-15 Laplacian 0.7900351E+00 (-1/4)Del**2(Rho)) -0.1975088E+00 Diamond 0.2529098E+01 Metallicity 0.5542242E+01 Ellipticity 0.1787276E-01 Gb(Abramov) 0.3141128E+00 Vb(Abramov) -0.4307167E+00 Hb(Abramov) -0.1166040E+00 Ex_ueg -0.8143792E-01 Ec_ueg -0.1114133E-01 Delta_ex -0.9292810E-01 Delta_ec 0.2376364E-01 Delta_et -0.3414758E+00 Pxc 0.7309531E+01 Qxc -0.3910516E+01 3,-1 142 3 +3 -0.000158 0.007292 2.257014 Rho 0.4812254E-02 |GRAD(Rho)| 0.2300633E-16 GRAD(Rho)x 0.1025634E-16 GRAD(Rho)y 0.2279883E-18 GRAD(Rho)z 0.2059240E-16 Laplacian 0.1852743E-01 (-1/4)Del**2(Rho)) -0.4631858E-02 Diamond 0.1593262E-03 Metallicity 0.5101668E+00 Ellipticity -0.3666602E+00 Gb(Abramov) 0.3481742E-02 Vb(Abramov) -0.2331626E-02 Hb(Abramov) 0.1150116E-02 Ex_ueg -0.6000441E-03 Ec_ueg -0.1388423E-03 Delta_ex -0.6690680E-03 Delta_ec 0.1453807E-03 Delta_et -0.9583256E-03 Pxc 0.4321767E+01 Qxc -0.4602178E+01 3,+3 143 3 -1 0.019439 -0.007245 -2.850463 Rho 0.5679563E-02 |GRAD(Rho)| 0.2563754E-17 GRAD(Rho)x -0.2327223E-17 GRAD(Rho)y -0.8890922E-18 GRAD(Rho)z -0.6052953E-18 Laplacian 0.2273239E-01 (-1/4)Del**2(Rho)) -0.5683097E-02 Diamond 0.7107501E-03 Metallicity 0.5480577E+00 Ellipticity 0.2318085E+01 Gb(Abramov) 0.4307843E-02 Vb(Abramov) -0.2932588E-02 Hb(Abramov) 0.1375255E-02 Ex_ueg -0.7484078E-03 Ec_ueg -0.1762734E-03 Delta_ex -0.1222511E-02 Delta_ec 0.8298646E-03 Delta_et -0.4637088E-02 Pxc 0.4245722E+01 Qxc -0.1473146E+01 3,-1 144 3 -1 1.801914 2.771127 0.555642 Rho 0.1385591E+00 |GRAD(Rho)| 0.1050073E-15 GRAD(Rho)x 0.1901420E-16 GRAD(Rho)y 0.2194832E-16 GRAD(Rho)z 0.1009121E-15 Laplacian 0.5835823E+00 (-1/4)Del**2(Rho)) -0.1458956E+00 Diamond 0.1075892E+01 Metallicity 0.4380962E+01 Ellipticity 0.1037618E-01 Gb(Abramov) 0.2037909E+00 Vb(Abramov) -0.2616862E+00 Hb(Abramov) -0.5789531E-01 Ex_ueg -0.5295396E-01 Ec_ueg -0.7715204E-02 Delta_ex -0.6147562E-01 Delta_ec 0.1511329E-01 Delta_et -0.1989051E+00 Pxc 0.6863586E+01 Qxc -0.4067652E+01 3,-1 145 3 -1 1.998871 0.864227 -3.006074 Rho 0.1486874E+00 |GRAD(Rho)| 0.4679279E-15 GRAD(Rho)x -0.1872959E-15 GRAD(Rho)y 0.4213210E-15 GRAD(Rho)z -0.7978373E-16 Laplacian 0.5826275E+00 (-1/4)Del**2(Rho)) -0.1456569E+00 Diamond 0.1173398E+01 Metallicity 0.4935667E+01 Ellipticity 0.4164547E-01 Gb(Abramov) 0.2169235E+00 Vb(Abramov) -0.2881902E+00 Hb(Abramov) -0.7126667E-01 Ex_ueg -0.5817690E-01 Ec_ueg -0.8359542E-02 Delta_ex -0.6248516E-01 Delta_ec 0.1490667E-01 Delta_et -0.1984025E+00 Pxc 0.6959341E+01 Qxc -0.4191758E+01 3,-1 146 3 +1 1.039258 -2.154790 1.453238 Rho 0.3085846E-01 |GRAD(Rho)| 0.2837420E-13 GRAD(Rho)x -0.1895447E-13 GRAD(Rho)y -0.3774587E-14 GRAD(Rho)z 0.2077441E-13 Laplacian 0.1209084E+00 (-1/4)Del**2(Rho)) -0.3022709E-01 Diamond 0.1732725E-01 Metallicity 0.1730270E+01 Ellipticity -0.2317372E+01 Gb(Abramov) 0.2886823E-01 Vb(Abramov) -0.2750937E-01 Hb(Abramov) 0.1358861E-02 Ex_ueg -0.7148540E-02 Ec_ueg -0.1387972E-02 Delta_ex -0.7645494E-02 Delta_ec 0.1494123E-02 Delta_et -0.1390893E-01 Pxc 0.5150349E+01 Qxc -0.5117045E+01 3,+1 147 3 -1 -3.204554 3.190077 -0.113088 Rho 0.1813542E+00 |GRAD(Rho)| 0.1962072E-15 GRAD(Rho)x 0.1855070E-15 GRAD(Rho)y -0.5347827E-16 GRAD(Rho)z -0.3499263E-16 Laplacian 0.7155470E+00 (-1/4)Del**2(Rho)) -0.1788868E+00 Diamond 0.1843842E+01 Metallicity 0.5595697E+01 Ellipticity 0.1124484E+00 Gb(Abramov) 0.2860905E+00 Vb(Abramov) -0.3932943E+00 Hb(Abramov) -0.1072037E+00 Ex_ueg -0.7581499E-01 Ec_ueg -0.1048001E-01 Delta_ex -0.8073440E-01 Delta_ec 0.1760517E-01 Delta_et -0.2407806E+00 Pxc 0.7234245E+01 Qxc -0.4585835E+01 3,-1 148 3 -1 -1.979575 -2.984031 -0.848027 Rho 0.1392838E+00 |GRAD(Rho)| 0.3943750E-15 GRAD(Rho)x -0.5799126E-16 GRAD(Rho)y 0.1105209E-15 GRAD(Rho)z 0.3741040E-15 Laplacian 0.5495856E+00 (-1/4)Del**2(Rho)) -0.1373964E+00 Diamond 0.1023704E+01 Metallicity 0.4692584E+01 Ellipticity 0.2968840E-01 Gb(Abramov) 0.1990549E+00 Vb(Abramov) -0.2607135E+00 Hb(Abramov) -0.6165855E-01 Ex_ueg -0.5332355E-01 Ec_ueg -0.7761090E-02 Delta_ex -0.5801315E-01 Delta_ec 0.1429572E-01 Delta_et -0.1884614E+00 Pxc 0.6870626E+01 Qxc -0.4058080E+01 3,-1 149 3 -1 -1.788518 -2.756651 0.564743 Rho 0.1394403E+00 |GRAD(Rho)| 0.2667950E-14 GRAD(Rho)x -0.1993251E-14 GRAD(Rho)y 0.3034546E-15 GRAD(Rho)z -0.1747232E-14 Laplacian 0.5872954E+00 (-1/4)Del**2(Rho)) -0.1468239E+00 Diamond 0.1090580E+01 Metallicity 0.4399504E+01 Ellipticity 0.1001884E-01 Gb(Abramov) 0.2055412E+00 Vb(Abramov) -0.2642586E+00 Hb(Abramov) -0.5871739E-01 Ex_ueg -0.5340346E-01 Ec_ueg -0.7771006E-02 Delta_ex -0.6195748E-01 Delta_ec 0.1517752E-01 Delta_et -0.1999253E+00 Pxc 0.6872143E+01 Qxc -0.4082188E+01 3,-1 150 3 +1 -1.312623 -2.160952 -1.152648 Rho 0.2984195E-01 |GRAD(Rho)| 0.1598880E-13 GRAD(Rho)x -0.1065511E-13 GRAD(Rho)y -0.1050049E-13 GRAD(Rho)z 0.5643574E-14 Laplacian 0.1184770E+00 (-1/4)Del**2(Rho)) -0.2961925E-01 Diamond 0.2046302E-01 Metallicity 0.1669903E+01 Ellipticity -0.6824118E+01 Gb(Abramov) 0.2798971E-01 Vb(Abramov) -0.2636017E-01 Hb(Abramov) 0.1629539E-02 Ex_ueg -0.6836304E-02 Ec_ueg -0.1335458E-02 Delta_ex -0.7786478E-02 Delta_ec 0.2115787E-02 Delta_et -0.1948025E-01 Pxc 0.5119072E+01 Qxc -0.3680181E+01 3,+1 151 3 -1 -0.838119 -2.005851 -2.995464 Rho 0.1382260E+00 |GRAD(Rho)| 0.3032642E-15 GRAD(Rho)x -0.1917683E-15 GRAD(Rho)y 0.2164610E-15 GRAD(Rho)z -0.9131693E-16 Laplacian 0.5433686E+00 (-1/4)Del**2(Rho)) -0.1358422E+00 Diamond 0.1003119E+01 Metallicity 0.4686350E+01 Ellipticity 0.3189790E-01 Gb(Abramov) 0.1966621E+00 Vb(Abramov) -0.2574820E+00 Hb(Abramov) -0.6081993E-01 Ex_ueg -0.5278428E-01 Ec_ueg -0.7694121E-02 Delta_ex -0.5725325E-01 Delta_ec 0.1416453E-01 Delta_et -0.1865223E+00 Pxc 0.6860339E+01 Qxc -0.4042017E+01 3,-1 152 3 +1 -1.166477 -1.299617 -2.186556 Rho 0.2978558E-01 |GRAD(Rho)| 0.4468561E-15 GRAD(Rho)x 0.8166681E-16 GRAD(Rho)y -0.2767728E-15 GRAD(Rho)z -0.3411857E-15 Laplacian 0.1179087E+00 (-1/4)Del**2(Rho)) -0.2947717E-01 Diamond 0.2029757E-01 Metallicity 0.1672672E+01 Ellipticity -0.6785546E+01 Gb(Abramov) 0.2786905E-01 Vb(Abramov) -0.2626093E-01 Hb(Abramov) 0.1608118E-02 Ex_ueg -0.6819090E-02 Ec_ueg -0.1332552E-02 Delta_ex -0.7743968E-02 Delta_ec 0.2103435E-02 Delta_et -0.1935788E-01 Pxc 0.5117315E+01 Qxc -0.3681581E+01 3,+1 153 3 -1 0.558201 1.809090 2.774920 Rho 0.1456582E+00 |GRAD(Rho)| 0.4445753E-15 GRAD(Rho)x -0.3980377E-15 GRAD(Rho)y 0.1843144E-15 GRAD(Rho)z -0.7239760E-16 Laplacian 0.6150251E+00 (-1/4)Del**2(Rho)) -0.1537563E+00 Diamond 0.1203309E+01 Metallicity 0.4517991E+01 Ellipticity 0.7337439E-02 Gb(Abramov) 0.2182824E+00 Vb(Abramov) -0.2828086E+00 Hb(Abramov) -0.6452615E-01 Ex_ueg -0.5660200E-01 Ec_ueg -0.8166160E-02 Delta_ex -0.6557536E-01 Delta_ec 0.1572143E-01 Delta_et -0.2084212E+00 Pxc 0.6931287E+01 Qxc -0.4171081E+01 3,-1 154 3 -1 1.743379 -1.718756 0.548815 Rho 0.6082947E-01 |GRAD(Rho)| 0.6076506E-16 GRAD(Rho)x -0.4020950E-16 GRAD(Rho)y 0.4555682E-16 GRAD(Rho)z 0.4053053E-18 Laplacian 0.2491808E+00 (-1/4)Del**2(Rho)) -0.6229520E-01 Diamond 0.1590503E+00 Metallicity 0.2601888E+01 Ellipticity 0.1209031E-01 Gb(Abramov) 0.6854432E-01 Vb(Abramov) -0.7479344E-01 Hb(Abramov) -0.6249124E-02 Ex_ueg -0.1766867E-01 Ec_ueg -0.3021695E-02 Delta_ex -0.2136213E-01 Delta_ec 0.7067076E-02 Delta_et -0.7820646E-01 Pxc 0.5847270E+01 Qxc -0.3022768E+01 3,-1 155 3 -1 2.001593 2.987841 -0.857121 Rho 0.1400050E+00 |GRAD(Rho)| 0.6946186E-15 GRAD(Rho)x 0.3953679E-15 GRAD(Rho)y -0.1490439E-15 GRAD(Rho)z 0.5513304E-15 Laplacian 0.5522889E+00 (-1/4)Del**2(Rho)) -0.1380722E+00 Diamond 0.1035194E+01 Metallicity 0.4709985E+01 Ellipticity 0.3034122E-01 Gb(Abramov) 0.2004345E+00 Vb(Abramov) -0.2627968E+00 Hb(Abramov) -0.6236228E-01 Ex_ueg -0.5369204E-01 Ec_ueg -0.7806794E-02 Delta_ex -0.5837232E-01 Delta_ec 0.1434904E-01 Delta_et -0.1893156E+00 Pxc 0.6877604E+01 Qxc -0.4068031E+01 3,-1 156 3 -1 3.211660 -3.189250 -0.032067 Rho 0.1804652E+00 |GRAD(Rho)| 0.5205883E-15 GRAD(Rho)x -0.4654751E-15 GRAD(Rho)y 0.1792457E-15 GRAD(Rho)z 0.1490507E-15 Laplacian 0.7052280E+00 (-1/4)Del**2(Rho)) -0.1763070E+00 Diamond 0.1810218E+01 Metallicity 0.5631266E+01 Ellipticity 0.1195181E+00 Gb(Abramov) 0.2830099E+00 Vb(Abramov) -0.3897129E+00 Hb(Abramov) -0.1067029E+00 Ex_ueg -0.7531989E-01 Ec_ueg -0.1042148E-01 Delta_ex -0.7950053E-01 Delta_ec 0.1742446E-01 Delta_et -0.2383305E+00 Pxc 0.7227367E+01 Qxc -0.4562583E+01 3,-1 157 3 -1 2.978924 -1.956700 0.885634 Rho 0.1516491E+00 |GRAD(Rho)| 0.6442914E-13 GRAD(Rho)x 0.4417194E-13 GRAD(Rho)y 0.4516393E-13 GRAD(Rho)z -0.1265592E-13 Laplacian 0.5883045E+00 (-1/4)Del**2(Rho)) -0.1470761E+00 Diamond 0.1208614E+01 Metallicity 0.5051391E+01 Ellipticity 0.4054153E-01 Gb(Abramov) 0.2218739E+00 Vb(Abramov) -0.2966717E+00 Hb(Abramov) -0.7479779E-01 Ex_ueg -0.5972714E-01 Ec_ueg -0.8549167E-02 Delta_ex -0.6335494E-01 Delta_ec 0.1489756E-01 Delta_et -0.1986426E+00 Pxc 0.6986311E+01 Qxc -0.4252707E+01 3,-1 158 3 -1 2.772786 1.807015 0.571178 Rho 0.1404685E+00 |GRAD(Rho)| 0.5389782E-15 GRAD(Rho)x -0.6078308E-16 GRAD(Rho)y 0.3698485E-15 GRAD(Rho)z -0.3873177E-15 Laplacian 0.5941517E+00 (-1/4)Del**2(Rho)) -0.1485379E+00 Diamond 0.1113214E+01 Metallicity 0.4402310E+01 Ellipticity 0.9188390E-02 Gb(Abramov) 0.2080103E+00 Vb(Abramov) -0.2674827E+00 Hb(Abramov) -0.5947236E-01 Ex_ueg -0.5392915E-01 Ec_ueg -0.7836180E-02 Delta_ex -0.6279436E-01 Delta_ec 0.1532963E-01 Delta_et -0.2021578E+00 Pxc 0.6882072E+01 Qxc -0.4096274E+01 3,-1 159 3 -1 1.790849 -2.739646 -0.514262 Rho 0.1505773E+00 |GRAD(Rho)| 0.3617518E-14 GRAD(Rho)x 0.2564328E-14 GRAD(Rho)y 0.5735904E-15 GRAD(Rho)z 0.2486292E-14 Laplacian 0.6312577E+00 (-1/4)Del**2(Rho)) -0.1578144E+00 Diamond 0.1271677E+01 Metallicity 0.4652349E+01 Ellipticity 0.2006056E-01 Gb(Abramov) 0.2275776E+00 Vb(Abramov) -0.2973407E+00 Hb(Abramov) -0.6976316E-01 Ex_ueg -0.5916493E-01 Ec_ueg -0.8480479E-02 Delta_ex -0.6772157E-01 Delta_ec 0.1576262E-01 Delta_et -0.2093901E+00 Pxc 0.6976602E+01 Qxc -0.4296340E+01 3,-1 160 3 -1 1.985036 -2.950119 0.876441 Rho 0.1605471E+00 |GRAD(Rho)| 0.6834361E-09 GRAD(Rho)x -0.3670650E-09 GRAD(Rho)y -0.3008916E-09 GRAD(Rho)z 0.4917443E-09 Laplacian 0.6317534E+00 (-1/4)Del**2(Rho)) -0.1579384E+00 Diamond 0.1393233E+01 Metallicity 0.5172929E+01 Ellipticity 0.4827379E-01 Gb(Abramov) 0.2414596E+00 Vb(Abramov) -0.3249807E+00 Hb(Abramov) -0.8352120E-01 Ex_ueg -0.6444489E-01 Ec_ueg -0.9122066E-02 Delta_ex -0.6902979E-01 Delta_ec 0.1582494E-01 Delta_et -0.2127461E+00 Pxc 0.7064725E+01 Qxc -0.4362089E+01 3,-1 161 3 -1 2.999036 1.980745 -0.845901 Rho 0.1413173E+00 |GRAD(Rho)| 0.1385321E-15 GRAD(Rho)x -0.1223725E-15 GRAD(Rho)y 0.1352542E-16 GRAD(Rho)z 0.6350714E-16 Laplacian 0.5559656E+00 (-1/4)Del**2(Rho)) -0.1389914E+00 Diamond 0.1053885E+01 Metallicity 0.4752158E+01 Ellipticity 0.3180329E-01 Gb(Abramov) 0.2027458E+00 Vb(Abramov) -0.2665002E+00 Hb(Abramov) -0.6375440E-01 Ex_ueg -0.5436411E-01 Ec_ueg -0.7890036E-02 Delta_ex -0.5889508E-01 Delta_ec 0.1441288E-01 Delta_et -0.1904290E+00 Pxc 0.6890223E+01 Qxc -0.4086280E+01 3,-1 162 3 -1 -1.775377 2.747478 -0.554706 Rho 0.1519740E+00 |GRAD(Rho)| 0.1122212E-15 GRAD(Rho)x -0.9809319E-16 GRAD(Rho)y 0.2254463E-16 GRAD(Rho)z -0.4962935E-16 Laplacian 0.6370114E+00 (-1/4)Del**2(Rho)) -0.1592529E+00 Diamond 0.1299303E+01 Metallicity 0.4681819E+01 Ellipticity 0.1707895E-01 Gb(Abramov) 0.2304341E+00 Vb(Abramov) -0.3016153E+00 Hb(Abramov) -0.7118121E-01 Ex_ueg -0.5989777E-01 Ec_ueg -0.8569996E-02 Delta_ex -0.6851164E-01 Delta_ec 0.1589966E-01 Delta_et -0.2115437E+00 Pxc 0.6989241E+01 Qxc -0.4309001E+01 3,-1 163 3 -1 -1.980752 2.965940 0.834009 Rho 0.1580977E+00 |GRAD(Rho)| 0.1669433E-13 GRAD(Rho)x -0.1011357E-13 GRAD(Rho)y -0.5302982E-14 GRAD(Rho)z -0.1217762E-13 Laplacian 0.6180673E+00 (-1/4)Del**2(Rho)) -0.1545168E+00 Diamond 0.1328225E+01 Metallicity 0.5153712E+01 Ellipticity 0.3238834E-01 Gb(Abramov) 0.2357337E+00 Vb(Abramov) -0.3169507E+00 Hb(Abramov) -0.8121693E-01 Ex_ueg -0.6313729E-01 Ec_ueg -0.8963885E-02 Delta_ex -0.6718595E-01 Delta_ec 0.1537835E-01 Delta_et -0.2059244E+00 Pxc 0.7043519E+01 Qxc -0.4368867E+01 3,-1 164 3 -1 -0.844857 -2.995902 -1.977663 Rho 0.1463739E+00 |GRAD(Rho)| 0.1368556E-14 GRAD(Rho)x -0.6438806E-16 GRAD(Rho)y 0.5552064E-15 GRAD(Rho)z 0.1249218E-14 Laplacian 0.5781742E+00 (-1/4)Del**2(Rho)) -0.1445435E+00 Diamond 0.1140365E+01 Metallicity 0.4845374E+01 Ellipticity 0.3952792E-01 Gb(Abramov) 0.2130903E+00 Vb(Abramov) -0.2816370E+00 Hb(Abramov) -0.6854674E-01 Ex_ueg -0.5697312E-01 Ec_ueg -0.8211798E-02 Delta_ex -0.6174578E-01 Delta_ec 0.1480710E-01 Delta_et -0.1965395E+00 Pxc 0.6937959E+01 Qxc -0.4170010E+01 3,-1 165 3 -1 2.762345 -0.552376 -1.778133 Rho 0.1205114E+00 |GRAD(Rho)| 0.3477291E-14 GRAD(Rho)x -0.4527594E-15 GRAD(Rho)y 0.2247212E-14 GRAD(Rho)z -0.2614689E-14 Laplacian 0.5001166E+00 (-1/4)Del**2(Rho)) -0.1250292E+00 Diamond 0.7860254E+00 Metallicity 0.4051247E+01 Ellipticity 0.1332784E-01 Gb(Abramov) 0.1677734E+00 Vb(Abramov) -0.2105177E+00 Hb(Abramov) -0.4274428E-01 Ex_ueg -0.4396319E-01 Ec_ueg -0.6583508E-02 Delta_ex -0.5102681E-01 Delta_ec 0.1354129E-01 Delta_et -0.1744502E+00 Pxc 0.6677776E+01 Qxc -0.3768239E+01 3,-1 166 3 -1 2.996296 -0.840684 2.012997 Rho 0.1370597E+00 |GRAD(Rho)| 0.2595506E-15 GRAD(Rho)x -0.1013594E-15 GRAD(Rho)y 0.1151829E-15 GRAD(Rho)z 0.2093459E-15 Laplacian 0.5430485E+00 (-1/4)Del**2(Rho)) -0.1357621E+00 Diamond 0.9937999E+00 Metallicity 0.4623356E+01 Ellipticity 0.4373700E-01 Gb(Abramov) 0.1951209E+00 Vb(Abramov) -0.2544796E+00 Hb(Abramov) -0.5935873E-01 Ex_ueg -0.5219128E-01 Ec_ueg -0.7620365E-02 Delta_ex -0.5711803E-01 Delta_ec 0.1421380E-01 Delta_et -0.1869830E+00 Pxc 0.6848921E+01 Qxc -0.4018490E+01 3,-1 167 3 -1 3.209097 -0.071834 -3.187539 Rho 0.2592507E+00 |GRAD(Rho)| 0.2704873E-13 GRAD(Rho)x -0.1923331E-13 GRAD(Rho)y 0.5667314E-14 GRAD(Rho)z 0.1815475E-13 Laplacian 0.9389869E+00 (-1/4)Del**2(Rho)) -0.2347467E+00 Diamond 0.3626918E+01 Metallicity 0.7735473E+01 Ellipticity 0.4050577E-02 Gb(Abramov) 0.4591440E+00 Vb(Abramov) -0.6835413E+00 Hb(Abramov) -0.2243973E+00 Ex_ueg -0.1220895E+00 Ec_ueg -0.1578000E-01 Delta_ex -0.1156852E+00 Delta_ec 0.2011644E-01 Delta_et -0.2784273E+00 Pxc 0.7736977E+01 Qxc -0.5750779E+01 3,-1 168 3 -1 3.203374 0.086344 3.226588 Rho 0.2596071E+00 |GRAD(Rho)| 0.2815733E-15 GRAD(Rho)x 0.2374403E-15 GRAD(Rho)y 0.1149525E-15 GRAD(Rho)z 0.9844556E-16 Laplacian 0.9323618E+00 (-1/4)Del**2(Rho)) -0.2330905E+00 Diamond 0.3616892E+01 Metallicity 0.7808295E+01 Ellipticity 0.2278390E-02 Gb(Abramov) 0.4587335E+00 Vb(Abramov) -0.6843765E+00 Hb(Abramov) -0.2256430E+00 Ex_ueg -0.1223133E+00 Ec_ueg -0.1580501E-01 Delta_ex -0.1149566E+00 Delta_ec 0.2004817E-01 Delta_et -0.2778893E+00 Pxc 0.7738893E+01 Qxc -0.5734019E+01 3,-1 169 3 -1 3.924178 -4.411661 0.136474 Rho 0.3242713E+00 |GRAD(Rho)| 0.1971468E-13 GRAD(Rho)x -0.4149577E-14 GRAD(Rho)y 0.1119840E-13 GRAD(Rho)z -0.1568584E-13 Laplacian -0.1822504E+01 (-1/4)Del**2(Rho)) 0.4556260E+00 Diamond 0.6330370E+01 Metallicity -0.5787070E+01 Ellipticity 0.3032196E-02 Gb(Abramov) 0.1357060E+00 Vb(Abramov) -0.7270380E+00 Hb(Abramov) -0.5913320E+00 Ex_ueg -0.1645368E+00 Ec_ueg -0.2045961E-01 Delta_ex 0.1829403E+00 Delta_ec 0.6268742E-01 Delta_et -0.1499488E+01 Pxc 0.8042029E+01 Qxc 0.2918293E+01 3,-1 170 3 -1 -2.975427 -1.977391 -0.852780 Rho 0.1398718E+00 |GRAD(Rho)| 0.4314818E-15 GRAD(Rho)x -0.1366772E-16 GRAD(Rho)y 0.1731606E-15 GRAD(Rho)z -0.3949749E-15 Laplacian 0.5498279E+00 (-1/4)Del**2(Rho)) -0.1374570E+00 Diamond 0.1029691E+01 Metallicity 0.4723565E+01 Ellipticity 0.3036407E-01 Gb(Abramov) 0.1998525E+00 Vb(Abramov) -0.2622480E+00 Hb(Abramov) -0.6239551E-01 Ex_ueg -0.5362392E-01 Ec_ueg -0.7798349E-02 Delta_ex -0.5810192E-01 Delta_ec 0.1429404E-01 Delta_et -0.1885742E+00 Pxc 0.6876317E+01 Qxc -0.4064767E+01 3,-1 171 3 -1 -0.487013 -0.497180 -0.514199 Rho 0.2013657E+00 |GRAD(Rho)| 0.5543044E-14 GRAD(Rho)x 0.1943822E-14 GRAD(Rho)y 0.4573353E-14 GRAD(Rho)z 0.2455877E-14 Laplacian 0.8309251E+00 (-1/4)Del**2(Rho)) -0.2077313E+00 Diamond 0.2833331E+01 Metallicity 0.5737117E+01 Ellipticity 0.8321212E-03 Gb(Abramov) 0.3371173E+00 Vb(Abramov) -0.4665033E+00 Hb(Abramov) -0.1293860E+00 Ex_ueg -0.8716972E-01 Ec_ueg -0.1180946E-01 Delta_ex -0.9899212E-01 Delta_ec 0.2474904E-01 Delta_et -0.3585975E+00 Pxc 0.7381347E+01 Qxc -0.3999837E+01 3,-1 172 3 -1 0.564962 1.729216 -1.740404 Rho 0.4803967E-01 |GRAD(Rho)| 0.1856695E-15 GRAD(Rho)x -0.7137078E-16 GRAD(Rho)y 0.1318712E-15 GRAD(Rho)z -0.1094959E-15 Laplacian 0.1968851E+00 (-1/4)Del**2(Rho)) -0.4922127E-01 Diamond 0.9277093E-01 Metallicity 0.2221947E+01 Ellipticity 0.1396761E-01 Gb(Abramov) 0.5104203E-01 Vb(Abramov) -0.5286278E-01 Hb(Abramov) -0.1820755E-02 Ex_ueg -0.1289788E-01 Ec_ueg -0.2306804E-02 Delta_ex -0.1596423E-01 Delta_ec 0.5725802E-02 Delta_et -0.5971250E-01 Pxc 0.5591235E+01 Qxc -0.2788121E+01 3,-1 173 3 -1 0.878671 1.989186 -3.004115 Rho 0.1394169E+00 |GRAD(Rho)| 0.2759510E-15 GRAD(Rho)x 0.7466087E-16 GRAD(Rho)y -0.1079459E-15 GRAD(Rho)z 0.2427393E-15 Laplacian 0.5475265E+00 (-1/4)Del**2(Rho)) -0.1368816E+00 Diamond 0.1021153E+01 Metallicity 0.4717738E+01 Ellipticity 0.3324042E-01 Gb(Abramov) 0.1988830E+00 Vb(Abramov) -0.2608844E+00 Hb(Abramov) -0.6200141E-01 Ex_ueg -0.5339153E-01 Ec_ueg -0.7769526E-02 Delta_ex -0.5781047E-01 Delta_ec 0.1424108E-01 Delta_et -0.1877731E+00 Pxc 0.6871917E+01 Qxc -0.4059417E+01 3,-1 174 3 -1 -2.960853 -0.863165 -2.002068 Rho 0.1454748E+00 |GRAD(Rho)| 0.8899771E-13 GRAD(Rho)x 0.3222029E-13 GRAD(Rho)y 0.6173001E-13 GRAD(Rho)z -0.5542428E-13 Laplacian 0.5747520E+00 (-1/4)Del**2(Rho)) -0.1436880E+00 Diamond 0.1124608E+01 Metallicity 0.4824428E+01 Ellipticity 0.4023261E-01 Gb(Abramov) 0.2113274E+00 Vb(Abramov) -0.2789668E+00 Hb(Abramov) -0.6763939E-01 Ex_ueg -0.5650700E-01 Ec_ueg -0.8154470E-02 Delta_ex -0.6128108E-01 Delta_ec 0.1472978E-01 Delta_et -0.1953126E+00 Pxc 0.6929573E+01 Qxc -0.4160353E+01 3,-1 175 3 -1 -1.730119 1.734885 0.524346 Rho 0.5868058E-01 |GRAD(Rho)| 0.7866399E-14 GRAD(Rho)x 0.3807522E-14 GRAD(Rho)y 0.3467916E-14 GRAD(Rho)z 0.5946139E-14 Laplacian 0.2389140E+00 (-1/4)Del**2(Rho)) -0.5972849E-01 Diamond 0.1454806E+00 Metallicity 0.2555813E+01 Ellipticity 0.7424786E-02 Gb(Abramov) 0.6526146E-01 Vb(Abramov) -0.7079444E-01 Hb(Abramov) -0.5532974E-02 Ex_ueg -0.1684138E-01 Ec_ueg -0.2900041E-02 Delta_ex -0.2030250E-01 Delta_ec 0.6794389E-02 Delta_et -0.7452555E-01 Pxc 0.5807289E+01 Qxc -0.2988127E+01 3,-1 176 3 -1 -0.511114 0.519408 0.473107 Rho 0.1925577E+00 |GRAD(Rho)| 0.2843072E-15 GRAD(Rho)x -0.2587182E-15 GRAD(Rho)y -0.1012317E-15 GRAD(Rho)z -0.6039557E-16 Laplacian 0.7939528E+00 (-1/4)Del**2(Rho)) -0.1984882E+00 Diamond 0.2560618E+01 Metallicity 0.5572970E+01 Ellipticity 0.1596400E-01 Gb(Abramov) 0.3166869E+00 Vb(Abramov) -0.4348857E+00 Hb(Abramov) -0.1181987E+00 Ex_ueg -0.8212328E-01 Ec_ueg -0.1122153E-01 Delta_ex -0.9352919E-01 Delta_ec 0.2384174E-01 Delta_et -0.3429251E+00 Pxc 0.7318369E+01 Qxc -0.3922918E+01 3,-1 177 3 -1 0.568231 -2.770122 -1.768242 Rho 0.1343569E+00 |GRAD(Rho)| 0.3127672E-15 GRAD(Rho)x 0.3050674E-16 GRAD(Rho)y 0.4644451E-16 GRAD(Rho)z -0.3077914E-15 Laplacian 0.5623227E+00 (-1/4)Del**2(Rho)) -0.1405807E+00 Diamond 0.1004026E+01 Metallicity 0.4319109E+01 Ellipticity 0.1560062E-01 Gb(Abramov) 0.1949177E+00 Vb(Abramov) -0.2492547E+00 Hb(Abramov) -0.5433699E-01 Ex_ueg -0.5082355E-01 Ec_ueg -0.7449781E-02 Delta_ex -0.5885260E-01 Delta_ec 0.1477425E-01 Delta_et -0.1937178E+00 Pxc 0.6822154E+01 Qxc -0.3983459E+01 3,-1 178 3 -1 -2.768824 -0.545975 1.804940 Rho 0.1412676E+00 |GRAD(Rho)| 0.1312080E-15 GRAD(Rho)x 0.1179680E-15 GRAD(Rho)y 0.5682575E-16 GRAD(Rho)z 0.8361909E-17 Laplacian 0.5974175E+00 (-1/4)Del**2(Rho)) -0.1493544E+00 Diamond 0.1125108E+01 Metallicity 0.4419835E+01 Ellipticity 0.7868982E-02 Gb(Abramov) 0.2095899E+00 Vb(Abramov) -0.2698254E+00 Hb(Abramov) -0.6023550E-01 Ex_ueg -0.5433860E-01 Ec_ueg -0.7886879E-02 Delta_ex -0.6320661E-01 Delta_ec 0.1535639E-01 Delta_et -0.2026064E+00 Pxc 0.6889747E+01 Qxc -0.4115982E+01 3,-1 179 3 -1 -0.535175 1.799132 -2.766374 Rho 0.1400701E+00 |GRAD(Rho)| 0.8954960E-16 GRAD(Rho)x 0.2972069E-16 GRAD(Rho)y -0.8283305E-16 GRAD(Rho)z -0.1656796E-16 Laplacian 0.5920640E+00 (-1/4)Del**2(Rho)) -0.1480160E+00 Diamond 0.1105350E+01 Metallicity 0.4396970E+01 Ellipticity 0.9106639E-02 Gb(Abramov) 0.2071477E+00 Vb(Abramov) -0.2662793E+00 Hb(Abramov) -0.5913166E-01 Ex_ueg -0.5372531E-01 Ec_ueg -0.7810919E-02 Delta_ex -0.6252855E-01 Delta_ec 0.1528296E-01 Delta_et -0.2014491E+00 Pxc 0.6878232E+01 Qxc -0.4091391E+01 3,-1 180 3 -1 -0.559577 1.749698 1.708870 Rho 0.4478144E-01 |GRAD(Rho)| 0.4208003E-14 GRAD(Rho)x 0.1676705E-14 GRAD(Rho)y 0.2682907E-14 GRAD(Rho)z 0.2774520E-14 Laplacian 0.1800022E+00 (-1/4)Del**2(Rho)) -0.4500055E-01 Diamond 0.7649501E-01 Metallicity 0.2161883E+01 Ellipticity 0.1641872E-01 Gb(Abramov) 0.4621469E-01 Vb(Abramov) -0.4742883E-01 Hb(Abramov) -0.1214136E-02 Ex_ueg -0.1174490E-01 Ec_ueg -0.2128509E-02 Delta_ex -0.1430991E-01 Delta_ec 0.5184565E-02 Delta_et -0.5307033E-01 Pxc 0.5517898E+01 Qxc -0.2760098E+01 3,-1 181 3 -1 2.992905 0.853840 -1.983275 Rho 0.1440832E+00 |GRAD(Rho)| 0.1551404E-15 GRAD(Rho)x -0.5107947E-16 GRAD(Rho)y -0.1462453E-15 GRAD(Rho)z 0.8470329E-17 Laplacian 0.5692980E+00 (-1/4)Del**2(Rho)) -0.1423245E+00 Diamond 0.1101482E+01 Metallicity 0.4793237E+01 Ellipticity 0.3842208E-01 Gb(Abramov) 0.2085822E+00 Vb(Abramov) -0.2748398E+00 Hb(Abramov) -0.6625767E-01 Ex_ueg -0.5578738E-01 Ec_ueg -0.8065833E-02 Delta_ex -0.6056056E-01 Delta_ec 0.1463074E-01 Delta_et -0.1937414E+00 Pxc 0.6916506E+01 Qxc -0.4139269E+01 3,-1 182 3 -1 0.508218 0.501459 -0.513336 Rho 0.2015374E+00 |GRAD(Rho)| 0.3209152E-11 GRAD(Rho)x 0.1841567E-11 GRAD(Rho)y 0.1842028E-11 GRAD(Rho)z -0.1874626E-11 Laplacian 0.8312018E+00 (-1/4)Del**2(Rho)) -0.2078005E+00 Diamond 0.2837841E+01 Metallicity 0.5743362E+01 Ellipticity 0.6228492E-03 Gb(Abramov) 0.3374458E+00 Vb(Abramov) -0.4670912E+00 Hb(Abramov) -0.1296454E+00 Ex_ueg -0.8726887E-01 Ec_ueg -0.1182097E-01 Delta_ex -0.9905011E-01 Delta_ec 0.2476006E-01 Delta_et -0.3588250E+00 Pxc 0.7382549E+01 Qxc -0.4000398E+01 3,-1 183 3 -1 -0.054292 3.203686 -3.199217 Rho 0.2592714E+00 |GRAD(Rho)| 0.5611041E-15 GRAD(Rho)x 0.1987885E-15 GRAD(Rho)y -0.1079865E-15 GRAD(Rho)z 0.5134781E-15 Laplacian 0.9374742E+00 (-1/4)Del**2(Rho)) -0.2343686E+00 Diamond 0.3622981E+01 Metallicity 0.7748983E+01 Ellipticity 0.3175863E-02 Gb(Abramov) 0.4589320E+00 Vb(Abramov) -0.6834955E+00 Hb(Abramov) -0.2245635E+00 Ex_ueg -0.1221025E+00 Ec_ueg -0.1578145E-01 Delta_ex -0.1155087E+00 Delta_ec 0.2009689E-01 Delta_et -0.2782225E+00 Pxc 0.7737088E+01 Qxc -0.5747591E+01 3,-1 184 3 -1 0.063137 3.216846 3.188647 Rho 0.2596277E+00 |GRAD(Rho)| 0.4550471E-15 GRAD(Rho)x 0.7616520E-17 GRAD(Rho)y 0.1869165E-15 GRAD(Rho)z 0.4148158E-15 Laplacian 0.9339414E+00 (-1/4)Del**2(Rho)) -0.2334853E+00 Diamond 0.3622788E+01 Metallicity 0.7796123E+01 Ellipticity 0.2353547E-02 Gb(Abramov) 0.4590370E+00 Vb(Abramov) -0.6845886E+00 Hb(Abramov) -0.2255516E+00 Ex_ueg -0.1223263E+00 Ec_ueg -0.1580646E-01 Delta_ex -0.1151510E+00 Delta_ec 0.2007669E-01 Delta_et -0.2782606E+00 Pxc 0.7739004E+01 Qxc -0.5735556E+01 3,-1 185 3 -1 0.558464 2.773256 1.794966 Rho 0.1439122E+00 |GRAD(Rho)| 0.3568173E-12 GRAD(Rho)x -0.2319654E-12 GRAD(Rho)y -0.1118701E-12 GRAD(Rho)z 0.2469731E-12 Laplacian 0.6092408E+00 (-1/4)Del**2(Rho)) -0.1523102E+00 Diamond 0.1171276E+01 Metallicity 0.4470128E+01 Ellipticity 0.7484034E-02 Gb(Abramov) 0.2150145E+00 Vb(Abramov) -0.2777188E+00 Hb(Abramov) -0.6270428E-01 Ex_ueg -0.5569912E-01 Ec_ueg -0.8054950E-02 Delta_ex -0.6472965E-01 Delta_ec 0.1555267E-01 Delta_et -0.2056776E+00 Pxc 0.6914894E+01 Qxc -0.4161964E+01 3,-1 186 3 -1 3.210639 3.202182 0.070895 Rho 0.2589462E+00 |GRAD(Rho)| 0.1413772E-14 GRAD(Rho)x -0.8505566E-15 GRAD(Rho)y -0.1104910E-14 GRAD(Rho)z -0.2334016E-15 Laplacian 0.9306441E+00 (-1/4)Del**2(Rho)) -0.2326610E+00 Diamond 0.3596158E+01 Metallicity 0.7789544E+01 Ellipticity 0.1285095E-02 Gb(Abramov) 0.4571612E+00 Vb(Abramov) -0.6816614E+00 Hb(Abramov) -0.2245002E+00 Ex_ueg -0.1218983E+00 Ec_ueg -0.1575863E-01 Delta_ex -0.1146533E+00 Delta_ec 0.2000121E-01 Delta_et -0.2771051E+00 Pxc 0.7735337E+01 Qxc -0.5732318E+01 3,-1 187 3 -1 -4.256563 3.830584 -0.853325 Rho 0.3248755E+00 |GRAD(Rho)| 0.3096054E-10 GRAD(Rho)x 0.2016971E-10 GRAD(Rho)y -0.2334235E-10 GRAD(Rho)z 0.2621572E-11 Laplacian -0.1834813E+01 (-1/4)Del**2(Rho)) 0.4587032E+00 Diamond 0.6387063E+01 Metallicity -0.5766110E+01 Ellipticity 0.2636010E-02 Gb(Abramov) 0.1350201E+00 Vb(Abramov) -0.7287433E+00 Hb(Abramov) -0.5937233E+00 Ex_ueg -0.1649457E+00 Ec_ueg -0.2050420E-01 Delta_ex 0.1843110E+00 Delta_ec 0.6310913E-01 Delta_et -0.1510738E+01 Pxc 0.8044484E+01 Qxc 0.2920512E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 124 122 119 125 97 120 121 84 177 151 164 116 172 179 81 173 79 183 180 153 185 77 80 184 154 133 159 157 160 156 135 158 144 161 155 186 175 57 162 60 163 147 108 138 149 170 148 109 63 111 110 174 62 136 113 178 66 59 114 139 102 130 131 166 104 168 105 165 98 181 145 167 141 171 182 176 140 143 126 82 118 169 187 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 21 22 25 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 23 24 27 28 55 54 2.416535 1.918147 1.930240 1.941766 1.989720 1.714234 2.382566 1.940888 1.955391 1.955455 1.933112 1.714821 2.381572 1.938258 1.960563 1.952183 1.934986 1.714707 2.415553 1.922229 1.927424 1.946668 1.982184 1.714306 2.277609 1.883478 1.911533 1.921762 1.898201 1.846178 2.407107 1.936671 1.942467 1.947095 1.950655 1.715325 2.294423 1.876937 1.907957 1.923094 1.904313 1.842794 2.407666 1.932981 1.939939 1.951268 1.952740 1.715418 2.372505 2.007105 1.931641 1.935534 1.922809 1.714662 2.419276 1.934713 1.941938 1.956879 1.938161 1.714351 2.421588 1.931071 1.938047 1.957935 1.944425 1.714366 2.375734 1.999714 1.929804 1.939321 1.926733 1.714681 1.712591 1.693460 1.693187 1.710352 3.224566 3.242790 3.228940 3.206648 3.200823 0.983466 0.982801 2.416834 1.918509 1.930627 1.942477 1.990078 1.714238 2.382792 1.941230 1.955796 1.956141 1.933772 1.714827 2.381799 1.938641 1.960993 1.952866 1.935648 1.714710 2.415833 1.922595 1.927764 1.947338 1.982582 1.714311 2.277985 1.884042 1.911977 1.922544 1.899064 1.848304 2.407348 1.937010 1.942849 1.947755 1.951314 1.715330 2.294577 1.877499 1.908416 1.923923 1.905150 1.844648 2.407912 1.933363 1.940282 1.951966 1.953406 1.715421 2.372751 2.007510 1.932063 1.936247 1.923443 1.714667 2.419536 1.935055 1.942261 1.957337 1.938851 1.714359 2.421850 1.931408 1.938373 1.958392 1.945119 1.714370 2.375979 2.000162 1.930179 1.940035 1.927382 1.714684 1.712659 1.693467 1.693190 1.710408 3.245046 3.253511 3.238116 3.216283 3.209950 0.983788 0.983111 30 26 27 29 23 22 27 23 23 25 23 24 27 25 28 25 23 20 27 26 23 23 27 21 27 23 23 23 23 23 27 23 27 23 23 22 27 23 23 24 23 23 27 25 23 25 23 23 27 25 25 25 24 23 27 23 23 23 26 23 27 23 23 23 25 21 27 23 23 26 27 20 26 21 20 23 35 35 35 35 35 18 19 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 W W 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 O V H H 2.5735 2.5704 2.5710 2.5691 2.7055 2.5682 2.7014 2.5676 2.5694 2.5722 2.5720 2.5679 -1.1463 -1.1254 -1.1249 -1.1435 -0.9419 -0.9151 -0.9177 -0.9419 -0.9432 -0.9410 -0.9434 -0.9408 -0.9228 -0.9414 -0.9413 -0.9244 -0.9175 -0.9281 -0.9282 -0.9162 -0.9319 -0.9244 -0.9312 -0.9242 -0.9291 -0.9127 -0.9176 -0.9288 -0.6956 -0.6962 -0.6960 -0.6962 -0.6575 -0.7010 -0.6513 -0.7013 -0.6941 -0.6971 -0.6975 -0.6946 2.4005 0.3040 0.3103 2.0679 2.0679 2.0680 2.0697 2.0536 2.0709 2.0514 2.0712 2.0697 2.0667 2.0666 2.0704 1.9580 1.9627 1.9629 1.9587 1.9351 1.9413 1.9416 1.9350 1.9354 1.9351 1.9353 1.9351 1.9385 1.9352 1.9353 1.9381 1.9529 1.9512 1.9512 1.9523 1.9508 1.9522 1.9507 1.9522 1.9513 1.9541 1.9537 1.9513 1.9818 1.9811 1.9812 1.9819 1.8795 1.9806 1.8785 1.9806 1.9813 1.9815 1.9815 1.9814 1.6715 0.5992 0.5936 6.0634 6.0623 6.0629 6.0649 6.0553 6.0638 6.0621 6.0642 6.0624 6.0630 6.0636 6.0626 5.1523 5.1265 5.1259 5.1491 4.9765 4.9431 4.9451 4.9765 4.9779 4.9751 4.9781 4.9749 4.9535 4.9759 4.9758 4.9554 4.9303 4.9433 4.9435 4.9296 4.9477 4.9379 4.9469 4.9375 4.9441 4.9246 4.9299 4.9439 4.6733 4.6746 4.6743 4.6738 4.7455 4.6802 4.7405 4.6805 4.6723 4.6751 4.6755 4.6727 5.9669 0.0968 0.0961 3.2667 3.2708 3.2697 3.2677 3.1550 3.2686 3.1544 3.2684 3.2702 3.2695 3.2692 3.2707 0.0360 0.0361 0.0361 0.0358 0.0303 0.0307 0.0310 0.0303 0.0300 0.0308 0.0300 0.0308 0.0308 0.0303 0.0303 0.0309 0.0343 0.0336 0.0336 0.0343 0.0335 0.0344 0.0335 0.0345 0.0337 0.0340 0.0341 0.0336 0.0405 0.0404 0.0404 0.0405 0.0326 0.0402 0.0322 0.0402 0.0405 0.0405 0.0405 0.0405 2.9611 0.0000 0.0000 14.0285 14.0285 14.0285 14.0285 14.0306 14.0285 14.0307 14.0285 14.0284 14.0286 14.0286 14.0284 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 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 54 55 W W 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 O V H H 2.528576 2.530370 2.530651 2.528436 2.584132 2.528624 2.583119 2.528355 2.529204 2.529096 2.528632 2.528874 -1.038376 -1.031003 -1.031067 -1.037160 -0.928138 -0.900760 -0.901524 -0.928239 -0.928330 -0.927096 -0.928079 -0.926163 -0.913738 -0.928253 -0.928004 -0.914240 -0.878545 -0.887674 -0.887738 -0.877779 -0.890923 -0.881645 -0.890371 -0.881430 -0.887843 -0.869445 -0.869868 -0.887638 -0.711936 -0.712474 -0.712073 -0.712195 -0.481310 -0.718903 -0.481473 -0.719236 -0.710061 -0.713291 -0.713764 -0.710417 2.058684 0.181612 0.179839 1.952011 1.957006 1.957152 1.955557 1.843334 1.953152 1.845937 1.952355 1.957031 1.954638 1.953498 1.958308 -0.725228 -0.735382 -0.734632 -0.724274 -0.694951 -0.654073 -0.660470 -0.695325 -0.694051 -0.696942 -0.693469 -0.697567 -0.664751 -0.697025 -0.696238 -0.661954 -0.684511 -0.718384 -0.717136 -0.684101 -0.720487 -0.714874 -0.718949 -0.715160 -0.718903 -0.676577 -0.677687 -0.718529 -0.583371 -0.583602 -0.583215 -0.583285 -0.608754 -0.592615 -0.603819 -0.593088 -0.580156 -0.585153 -0.585681 -0.580870 1.495594 0.459524 0.460141 2.046838 2.047015 2.049273 2.044077 2.066077 2.046101 2.078996 2.046140 2.046996 2.044930 2.047849 2.047028 -0.767363 -0.773176 -0.776122 -0.771301 -0.771221 -0.731588 -0.763044 -0.771235 -0.776506 -0.771639 -0.770174 -0.770673 -0.766739 -0.771473 -0.772633 -0.748874 -0.743742 -0.752843 -0.750224 -0.731036 -0.754825 -0.744477 -0.756169 -0.743783 -0.751408 -0.721958 -0.744719 -0.751622 -0.553903 -0.553366 -0.552758 -0.552985 -0.631189 -0.561832 -0.605230 -0.562226 -0.549904 -0.554158 -0.554645 -0.550272 1.451018 0.459182 0.481514 -1.15325080 -1.63331137 -1.61175102 2.56815786 20.13938117 -72.86210408 13.68439053 23.51407299 -12.64436417 -43.65345416 -425.7026 410.6688 -64.1143 -383.0908 -2.1641 -464.4031 Mar27-2024 11:09:58 Nodes: 1 Procs: 1 Mar27-2024 11:09:59 Nodes: 1 Procs: 1 0 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Mar27-2024 11:10:00 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Mar27-2024 11:10:01 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar27-2024 11:10:02 Nodes: 1 Procs: 1 Mar27-2024 11:10:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar27-2024 11:10:05 Nodes: 1 Procs: 28 *** (NO TITLE) *** -1 -17.06642542 -17.06644524 -17.06646370 -17.06647344 -17.06647923 -17.06649028 -17.06649976 GEOMETRY CONVERGED