ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 2.14 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.19 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 Jun12-2024 06:48:32 Nodes: 1 Procs: 1 Jun12-2024 06:48:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.04 1.90 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 Jun12-2024 06:48:32 Nodes: 1 Procs: 1 Jun12-2024 06:48:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:48:37 Nodes: 1 Procs: 1 Jun12-2024 06:48:39 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 1.41 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 Jun12-2024 06:48:32 Nodes: 1 Procs: 1 Jun12-2024 06:48:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:48:37 Nodes: 1 Procs: 1 Jun12-2024 06:48:39 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:48:42 Nodes: 1 Procs: 1 Jun12-2024 06:48:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:45 Hydrogen (TZP) c10-5 c10-5 c10-5 c10-5 c10-5 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.04 2.28 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 Jun12-2024 06:48:32 Nodes: 1 Procs: 1 Jun12-2024 06:48:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:48:37 Nodes: 1 Procs: 1 Jun12-2024 06:48:39 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:48:42 Nodes: 1 Procs: 1 Jun12-2024 06:48:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 06:48:45 Nodes: 1 Procs: 1 Jun12-2024 06:48:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:48:51 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2305.6775999999995 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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.Mo ADF 2019.304 Jun12-2024 06:48:39 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun12-2024 06:48:47 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 06:48:43 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun12-2024 06:48:34 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun12-2024 06:48:30 1 1 Hydrogen TZP 1 1 -15.77664604 0.22883206 0.00100000 F 0.10036775 0.00066667 F 0.22883206 0.10036775 0.12893752 0.01000000 F 0.04432234 0.00666667 F Cartesian 2305.6775999999995 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Delta_ec 0.9576284E-04 Delta_et -0.7688079E-03 Pxc 0.4258184E+01 Qxc -0.8019485E+01 3,+3 57 3 -1 -1.807541 0.558040 1.686738 Rho 0.3867170E-01 |GRAD(Rho)| 0.2671525E-12 GRAD(Rho)x 0.2620731E-12 GRAD(Rho)y 0.3817176E-13 GRAD(Rho)z 0.3508647E-13 Laplacian 0.1628470E+00 (-1/4)Del**2(Rho)) -0.4071175E-01 Diamond 0.5938986E-01 Metallicity 0.1871352E+01 Ellipticity 0.1074794E-01 Gb(Abramov) 0.3983884E-01 Vb(Abramov) -0.3896592E-01 Hb(Abramov) 0.8729174E-03 Ex_ueg -0.9658493E-02 Ec_ueg -0.1798992E-02 Delta_ex -0.1264368E-01 Delta_ec 0.4988297E-02 Delta_et -0.4913658E-01 Pxc 0.5368836E+01 Qxc -0.2534669E+01 3,-1 58 3 -1 -3.147235 3.253758 -0.114794 Rho 0.1792822E+00 |GRAD(Rho)| 0.2915406E-12 GRAD(Rho)x 0.2022536E-12 GRAD(Rho)y -0.1871467E-12 GRAD(Rho)z 0.9521302E-13 Laplacian 0.7034472E+00 (-1/4)Del**2(Rho)) -0.1758618E+00 Diamond 0.1791242E+01 Metallicity 0.5583975E+01 Ellipticity 0.1135373E+00 Gb(Abramov) 0.2809092E+00 Vb(Abramov) -0.3859566E+00 Hb(Abramov) -0.1050474E+00 Ex_ueg -0.7466226E-01 Ec_ueg -0.1034366E-01 Delta_ex -0.7916758E-01 Delta_ec 0.1740749E-01 Delta_et -0.2379158E+00 Pxc 0.7218166E+01 Qxc -0.4547903E+01 3,-1 59 3 -1 -3.329775 -0.031733 3.125991 Rho 0.2472821E+00 |GRAD(Rho)| 0.6147891E-15 GRAD(Rho)x -0.4464745E-15 GRAD(Rho)y -0.1317306E-15 GRAD(Rho)z 0.4015885E-15 Laplacian 0.8720223E+00 (-1/4)Del**2(Rho)) -0.2180056E+00 Diamond 0.3224520E+01 Metallicity 0.7698510E+01 Ellipticity 0.5673269E-02 Gb(Abramov) 0.4250567E+00 Vb(Abramov) -0.6321079E+00 Hb(Abramov) -0.2070512E+00 Ex_ueg -0.1146327E+00 Ec_ueg -0.1494395E-01 Delta_ex -0.1063255E+00 Delta_ec 0.1934303E-01 Delta_et -0.2693237E+00 Pxc 0.7670842E+01 Qxc -0.5496838E+01 3,-1 60 3 -1 -3.251654 0.052421 -3.116301 Rho 0.2573273E+00 |GRAD(Rho)| 0.2524504E-14 GRAD(Rho)x 0.1990378E-14 GRAD(Rho)y -0.5083011E-15 GRAD(Rho)z 0.1467359E-14 Laplacian 0.9390965E+00 (-1/4)Del**2(Rho)) -0.2347741E+00 Diamond 0.3591865E+01 Metallicity 0.7639168E+01 Ellipticity 0.3249641E-02 Gb(Abramov) 0.4554293E+00 Vb(Abramov) -0.6760844E+00 Hb(Abramov) -0.2206551E+00 Ex_ueg -0.1208833E+00 Ec_ueg -0.1564512E-01 Delta_ex -0.1154568E+00 Delta_ec 0.2013839E-01 Delta_et -0.2785811E+00 Pxc 0.7726582E+01 Qxc -0.5733168E+01 3,-1 61 3 +1 -2.871751 -0.225084 -0.163117 Rho 0.5355365E-02 |GRAD(Rho)| 0.2450263E-14 GRAD(Rho)x -0.3264930E-15 GRAD(Rho)y 0.2428358E-14 GRAD(Rho)z -0.1632419E-16 Laplacian 0.2241413E-01 (-1/4)Del**2(Rho)) -0.5603532E-02 Diamond 0.5178702E-03 Metallicity 0.5039720E+00 Ellipticity -0.2043727E+01 Gb(Abramov) 0.4206358E-02 Vb(Abramov) -0.2809185E-02 Hb(Abramov) 0.1397173E-02 Ex_ueg -0.6919963E-03 Ec_ueg -0.1622375E-03 Delta_ex -0.1082419E-02 Delta_ec 0.6220200E-03 Delta_et -0.3482015E-02 Pxc 0.4265329E+01 Qxc -0.1740168E+01 3,+1 62 3 +1 -1.660893 -0.546353 0.522786 Rho 0.8679048E-02 |GRAD(Rho)| 0.8531544E-17 GRAD(Rho)x -0.4348727E-17 GRAD(Rho)y 0.1300417E-17 GRAD(Rho)z -0.7223901E-17 Laplacian 0.3338855E-01 (-1/4)Del**2(Rho)) -0.8347137E-02 Diamond 0.9330748E-03 Metallicity 0.7564887E+00 Ellipticity -0.1503524E+01 Gb(Abramov) 0.6617177E-02 Vb(Abramov) -0.4887217E-02 Hb(Abramov) 0.1729960E-02 Ex_ueg -0.1317289E-02 Ec_ueg -0.3085183E-03 Delta_ex -0.1541473E-02 Delta_ec 0.4923549E-03 Delta_et -0.3354902E-02 Pxc 0.4269728E+01 Qxc -0.3130817E+01 3,+1 63 3 -1 -3.064329 0.882444 1.947263 Rho 0.1477984E+00 |GRAD(Rho)| 0.1577168E-15 GRAD(Rho)x -0.1395910E-15 GRAD(Rho)y -0.6747803E-16 GRAD(Rho)z 0.2890754E-16 Laplacian 0.5837072E+00 (-1/4)Del**2(Rho)) -0.1459268E+00 Diamond 0.1152709E+01 Metallicity 0.4877539E+01 Ellipticity 0.7613992E-01 Gb(Abramov) 0.2159118E+00 Vb(Abramov) -0.2858969E+00 Hb(Abramov) -0.6998503E-01 Ex_ueg -0.5771356E-01 Ec_ueg -0.8302727E-02 Delta_ex -0.6236244E-01 Delta_ec 0.1469475E-01 Delta_et -0.1948276E+00 Pxc 0.6951158E+01 Qxc -0.4243858E+01 3,-1 64 3 -1 -1.758673 2.780146 -0.574410 Rho 0.1844931E+00 |GRAD(Rho)| 0.4607565E-15 GRAD(Rho)x -0.3111118E-15 GRAD(Rho)y -0.9030049E-16 GRAD(Rho)z 0.3276459E-15 Laplacian 0.7748642E+00 (-1/4)Del**2(Rho)) -0.1937160E+00 Diamond 0.1982660E+01 Metallicity 0.5317260E+01 Ellipticity 0.1930869E-01 Gb(Abramov) 0.3008171E+00 Vb(Abramov) -0.4079182E+00 Hb(Abramov) -0.1071011E+00 Ex_ueg -0.7756967E-01 Ec_ueg -0.1068705E-01 Delta_ex -0.8738465E-01 Delta_ec 0.1822842E-01 Delta_et -0.2474885E+00 Pxc 0.7258287E+01 Qxc -0.4793870E+01 3,-1 65 3 +1 -0.170341 -2.898368 -0.196686 Rho 0.5241373E-02 |GRAD(Rho)| 0.3791131E-17 GRAD(Rho)x 0.2451699E-17 GRAD(Rho)y -0.1385243E-17 GRAD(Rho)z -0.2538296E-17 Laplacian 0.2209501E-01 (-1/4)Del**2(Rho)) -0.5523753E-02 Diamond 0.4972587E-03 Metallicity 0.4932427E+00 Ellipticity -0.1974301E+01 Gb(Abramov) 0.4136594E-02 Vb(Abramov) -0.2749435E-02 Hb(Abramov) 0.1387159E-02 Ex_ueg -0.6724269E-03 Ec_ueg -0.1573148E-03 Delta_ex -0.1063519E-02 Delta_ec 0.6152402E-03 Delta_et -0.3421264E-02 Pxc 0.4274404E+01 Qxc -0.1728625E+01 3,+1 66 3 +1 0.513648 1.666137 0.514104 Rho 0.9056428E-02 |GRAD(Rho)| 0.7592893E-15 GRAD(Rho)x -0.6332508E-15 GRAD(Rho)y -0.1794940E-15 GRAD(Rho)z 0.3785441E-15 Laplacian 0.3513641E-01 (-1/4)Del**2(Rho)) -0.8784102E-02 Diamond 0.1004427E-02 Metallicity 0.7717039E+00 Ellipticity -0.1468752E+01 Gb(Abramov) 0.6985856E-02 Vb(Abramov) -0.5187609E-02 Hb(Abramov) 0.1798246E-02 Ex_ueg -0.1394208E-02 Ec_ueg -0.3254479E-03 Delta_ex -0.1624454E-02 Delta_ec 0.4910059E-03 Delta_et -0.3403581E-02 Pxc 0.4283967E+01 Qxc -0.3308419E+01 3,+1 67 3 +1 -0.178576 0.150297 2.944539 Rho 0.5027766E-02 |GRAD(Rho)| 0.3876738E-14 GRAD(Rho)x -0.2471469E-14 GRAD(Rho)y 0.2973085E-14 GRAD(Rho)z 0.2858431E-15 Laplacian 0.2075358E-01 (-1/4)Del**2(Rho)) -0.5188396E-02 Diamond 0.4826994E-03 Metallicity 0.4899425E+00 Ellipticity -0.2651417E+01 Gb(Abramov) 0.3882600E-02 Vb(Abramov) -0.2576804E-02 Hb(Abramov) 0.1305796E-02 Ex_ueg -0.6361386E-03 Ec_ueg -0.1481079E-03 Delta_ex -0.1028442E-02 Delta_ec 0.6454639E-03 Delta_et -0.3514498E-02 Pxc 0.4295104E+01 Qxc -0.1593337E+01 3,+1 68 3 +1 -1.432790 1.063116 2.131958 Rho 0.2630120E-01 |GRAD(Rho)| 0.3222636E-16 GRAD(Rho)x 0.1314775E-16 GRAD(Rho)y -0.6683359E-18 GRAD(Rho)z 0.2941477E-16 Laplacian 0.1048276E+00 (-1/4)Del**2(Rho)) -0.2620691E-01 Diamond 0.1497806E-01 Metallicity 0.1529079E+01 Ellipticity -0.3956025E+01 Gb(Abramov) 0.2415001E-01 Vb(Abramov) -0.2209312E-01 Hb(Abramov) 0.2056897E-02 Ex_ueg -0.5776780E-02 Ec_ueg -0.1154448E-02 Delta_ex -0.6636796E-02 Delta_ec 0.1828803E-02 Delta_et -0.1633420E-01 Pxc 0.5003932E+01 Qxc -0.3629038E+01 3,+1 69 3 -1 -2.782294 0.551068 -1.741015 Rho 0.1420586E+00 |GRAD(Rho)| 0.1645037E-13 GRAD(Rho)x -0.4129865E-14 GRAD(Rho)y -0.1591579E-13 GRAD(Rho)z 0.4964562E-15 Laplacian 0.5947013E+00 (-1/4)Del**2(Rho)) -0.1486753E+00 Diamond 0.1134414E+01 Metallicity 0.4481536E+01 Ellipticity 0.2368090E-01 Gb(Abramov) 0.2101659E+00 Vb(Abramov) -0.2716564E+00 Hb(Abramov) -0.6149053E-01 Ex_ueg -0.5474467E-01 Ec_ueg -0.7937105E-02 Delta_ex -0.6307875E-01 Delta_ec 0.1539733E-01 Delta_et -0.2035957E+00 Pxc 0.6897309E+01 Qxc -0.4096732E+01 3,-1 70 3 +3 -2.323947 -0.062334 -0.005617 Rho 0.4805614E-02 |GRAD(Rho)| 0.2222106E-17 GRAD(Rho)x 0.2386190E-18 GRAD(Rho)y 0.1568866E-17 GRAD(Rho)z 0.1555467E-17 Laplacian 0.1986839E-01 (-1/4)Del**2(Rho)) -0.4967099E-02 Diamond 0.1951478E-03 Metallicity 0.4746409E+00 Ellipticity -0.3574952E+00 Gb(Abramov) 0.3704330E-02 Vb(Abramov) -0.2441562E-02 Hb(Abramov) 0.1262768E-02 Ex_ueg -0.5989403E-03 Ec_ueg -0.1385572E-03 Delta_ex -0.7413269E-03 Delta_ec 0.1989196E-03 Delta_et -0.1240751E-02 Pxc 0.4322694E+01 Qxc -0.3726766E+01 3,+3 71 3 +1 2.166617 1.349078 -1.118646 Rho 0.3000628E-01 |GRAD(Rho)| 0.1050378E-14 GRAD(Rho)x 0.4430462E-15 GRAD(Rho)y -0.4495908E-15 GRAD(Rho)z -0.8395667E-15 Laplacian 0.1222924E+00 (-1/4)Del**2(Rho)) -0.3057309E-01 Diamond 0.2132548E-01 Metallicity 0.1632679E+01 Ellipticity -0.5588508E+01 Gb(Abramov) 0.2870140E-01 Vb(Abramov) -0.2682971E-01 Hb(Abramov) 0.1871690E-02 Ex_ueg -0.6886544E-02 Ec_ueg -0.1343931E-02 Delta_ex -0.8052745E-02 Delta_ec 0.2190482E-02 Delta_et -0.2019419E-01 Pxc 0.5124179E+01 Qxc -0.3676244E+01 3,+1 72 3 -1 -3.096744 -3.282539 0.072863 Rho 0.2463719E+00 |GRAD(Rho)| 0.4975298E-12 GRAD(Rho)x 0.3440422E-12 GRAD(Rho)y 0.3463321E-12 GRAD(Rho)z -0.9604652E-13 Laplacian 0.8746430E+00 (-1/4)Del**2(Rho)) -0.2186608E+00 Diamond 0.3210697E+01 Metallicity 0.7628416E+01 Ellipticity 0.9193856E-03 Gb(Abramov) 0.4237797E+00 Vb(Abramov) -0.6288987E+00 Hb(Abramov) -0.2051189E+00 Ex_ueg -0.1140705E+00 Ec_ueg -0.1488070E-01 Delta_ex -0.1064950E+00 Delta_ec 0.1933820E-01 Delta_et -0.2688444E+00 Pxc 0.7665669E+01 Qxc -0.5506977E+01 3,-1 73 3 -1 -2.719880 1.812404 -0.535036 Rho 0.1425180E+00 |GRAD(Rho)| 0.1352836E-14 GRAD(Rho)x -0.2146653E-15 GRAD(Rho)y 0.1229689E-14 GRAD(Rho)z 0.5214877E-15 Laplacian 0.5975057E+00 (-1/4)Del**2(Rho)) -0.1493764E+00 Diamond 0.1135802E+01 Metallicity 0.4484569E+01 Ellipticity 0.2234957E-01 Gb(Abramov) 0.2112324E+00 Vb(Abramov) -0.2730884E+00 Hb(Abramov) -0.6185599E-01 Ex_ueg -0.5498084E-01 Ec_ueg -0.7966292E-02 Delta_ex -0.6333661E-01 Delta_ec 0.1529800E-01 Delta_et -0.2020405E+00 Pxc 0.6901685E+01 Qxc -0.4140188E+01 3,-1 74 3 -1 -2.956634 2.018011 0.821552 Rho 0.1293541E+00 |GRAD(Rho)| 0.1767810E-12 GRAD(Rho)x 0.8113525E-13 GRAD(Rho)y 0.1081431E-12 GRAD(Rho)z -0.1139021E-12 Laplacian 0.5057486E+00 (-1/4)Del**2(Rho)) -0.1264372E+00 Diamond 0.8577175E+00 Metallicity 0.4507946E+01 Ellipticity 0.9541507E-02 Gb(Abramov) 0.1792868E+00 Vb(Abramov) -0.2321363E+00 Hb(Abramov) -0.5284960E-01 Ex_ueg -0.4831611E-01 Ec_ueg -0.7135290E-02 Delta_ex -0.5238818E-01 Delta_ec 0.1329944E-01 Delta_et -0.1731120E+00 Pxc 0.6771429E+01 Qxc -0.3939126E+01 3,-1 75 3 -1 -2.718460 -1.869043 0.565276 Rho 0.1137467E+00 |GRAD(Rho)| 0.1196390E-15 GRAD(Rho)x 0.2217532E-17 GRAD(Rho)y -0.2661716E-16 GRAD(Rho)z 0.1166195E-15 Laplacian 0.4739901E+00 (-1/4)Del**2(Rho)) -0.1184975E+00 Diamond 0.6843335E+00 Metallicity 0.3882179E+01 Ellipticity 0.1221593E-01 Gb(Abramov) 0.1556698E+00 Vb(Abramov) -0.1928420E+00 Hb(Abramov) -0.3717226E-01 Ex_ueg -0.4070400E-01 Ec_ueg -0.6165054E-02 Delta_ex -0.4755045E-01 Delta_ec 0.1273282E-01 Delta_et -0.1619302E+00 Pxc 0.6602375E+01 Qxc -0.3734478E+01 3,-1 76 3 +1 -2.186314 1.057600 1.374105 Rho 0.2766553E-01 |GRAD(Rho)| 0.2443288E-16 GRAD(Rho)x 0.1189783E-16 GRAD(Rho)y -0.1681097E-16 GRAD(Rho)z -0.1314529E-16 Laplacian 0.1121072E+00 (-1/4)Del**2(Rho)) -0.2802680E-01 Diamond 0.1566248E-01 Metallicity 0.1555528E+01 Ellipticity -0.2723753E+01 Gb(Abramov) 0.2595061E-01 Vb(Abramov) -0.2387443E-01 Hb(Abramov) 0.2076186E-02 Ex_ueg -0.6179742E-02 Ec_ueg -0.1223834E-02 Delta_ex -0.7050932E-02 Delta_ec 0.1699893E-02 Delta_et -0.1541020E-01 Pxc 0.5049496E+01 Qxc -0.4147867E+01 3,+1 77 3 -1 -2.074629 0.841746 2.954757 Rho 0.1237395E+00 |GRAD(Rho)| 0.6260563E-16 GRAD(Rho)x -0.5498938E-16 GRAD(Rho)y 0.5210947E-17 GRAD(Rho)z 0.2946997E-16 Laplacian 0.4790872E+00 (-1/4)Del**2(Rho)) -0.1197718E+00 Diamond 0.7670743E+00 Metallicity 0.4419559E+01 Ellipticity 0.2884072E-01 Gb(Abramov) 0.1680710E+00 Vb(Abramov) -0.2163701E+00 Hb(Abramov) -0.4829916E-01 Ex_ueg -0.4554031E-01 Ec_ueg -0.6784321E-02 Delta_ex -0.4905868E-01 Delta_ec 0.1265732E-01 Delta_et -0.1634137E+00 Pxc 0.6712582E+01 Qxc -0.3875912E+01 3,-1 78 3 +1 -1.652229 0.498769 -0.554253 Rho 0.9635542E-02 |GRAD(Rho)| 0.8395212E-15 GRAD(Rho)x 0.5966942E-15 GRAD(Rho)y -0.2643612E-15 GRAD(Rho)z 0.5280768E-15 Laplacian 0.3835785E-01 (-1/4)Del**2(Rho)) -0.9589462E-02 Diamond 0.1172302E-02 Metallicity 0.7838252E+00 Ellipticity -0.1444588E+01 Gb(Abramov) 0.7645718E-02 Vb(Abramov) -0.5701974E-02 Hb(Abramov) 0.1943744E-02 Ex_ueg -0.1514328E-02 Ec_ueg -0.3515481E-03 Delta_ex -0.1793549E-02 Delta_ec 0.5215060E-03 Delta_et -0.3684069E-02 Pxc 0.4307599E+01 Qxc -0.3439172E+01 3,+1 79 3 +1 -0.509797 0.539998 -1.657117 Rho 0.9343253E-02 |GRAD(Rho)| 0.9435397E-17 GRAD(Rho)x -0.6480123E-17 GRAD(Rho)y 0.2624323E-17 GRAD(Rho)z -0.6336217E-17 Laplacian 0.3625459E-01 (-1/4)Del**2(Rho)) -0.9063648E-02 Diamond 0.1093133E-02 Metallicity 0.7877958E+00 Ellipticity -0.1495762E+01 Gb(Abramov) 0.7232483E-02 Vb(Abramov) -0.5401317E-02 Hb(Abramov) 0.1831166E-02 Ex_ueg -0.1453391E-02 Ec_ueg -0.3383568E-03 Delta_ex -0.1694250E-02 Delta_ec 0.5150603E-03 Delta_et -0.3592167E-02 Pxc 0.4295440E+01 Qxc -0.3289421E+01 3,+1 80 3 -1 -0.543583 1.759546 -2.811165 Rho 0.1385265E+00 |GRAD(Rho)| 0.5411808E-13 GRAD(Rho)x 0.5282951E-14 GRAD(Rho)y 0.4628440E-13 GRAD(Rho)z -0.2754290E-13 Laplacian 0.5834823E+00 (-1/4)Del**2(Rho)) -0.1458706E+00 Diamond 0.1056078E+01 Metallicity 0.4379995E+01 Ellipticity 0.1884654E-01 Gb(Abramov) 0.2037324E+00 Vb(Abramov) -0.2615943E+00 Hb(Abramov) -0.5786186E-01 Ex_ueg -0.5293735E-01 Ec_ueg -0.7713140E-02 Delta_ex -0.6124753E-01 Delta_ec 0.1472940E-01 Delta_et -0.1930624E+00 Pxc 0.6863268E+01 Qxc -0.4158183E+01 3,-1 81 3 +1 -0.489276 1.667520 -0.595061 Rho 0.8940862E-02 |GRAD(Rho)| 0.7481005E-17 GRAD(Rho)x -0.4186300E-17 GRAD(Rho)y 0.3046639E-17 GRAD(Rho)z 0.5399845E-17 Laplacian 0.3573667E-01 (-1/4)Del**2(Rho)) -0.8934167E-02 Diamond 0.1039575E-02 Metallicity 0.7426738E+00 Ellipticity -0.1467861E+01 Gb(Abramov) 0.7061973E-02 Vb(Abramov) -0.5189780E-02 Hb(Abramov) 0.1872194E-02 Ex_ueg -0.1370538E-02 Ec_ueg -0.3202569E-03 Delta_ex -0.1662099E-02 Delta_ec 0.5266837E-03 Delta_et -0.3616865E-02 Pxc 0.4279494E+01 Qxc -0.3155782E+01 3,+1 82 3 +1 -0.182656 -0.198707 -2.854287 Rho 0.5464259E-02 |GRAD(Rho)| 0.5228845E-17 GRAD(Rho)x -0.3727312E-17 GRAD(Rho)y 0.3659053E-17 GRAD(Rho)z 0.2435074E-18 Laplacian 0.2267926E-01 (-1/4)Del**2(Rho)) -0.5669815E-02 Diamond 0.5487561E-03 Metallicity 0.5150742E+00 Ellipticity -0.2326650E+01 Gb(Abramov) 0.4266606E-02 Vb(Abramov) -0.2863397E-02 Hb(Abramov) 0.1403209E-02 Ex_ueg -0.7108208E-03 Ec_ueg -0.1669462E-03 Delta_ex -0.1108273E-02 Delta_ec 0.6446446E-03 Delta_et -0.3623280E-02 Pxc 0.4257785E+01 Qxc -0.1719200E+01 3,+1 83 3 +1 -1.089362 -2.173986 -1.361562 Rho 0.2784171E-01 |GRAD(Rho)| 0.4265075E-16 GRAD(Rho)x 0.3438710E-16 GRAD(Rho)y 0.2148701E-16 GRAD(Rho)z 0.1322580E-16 Laplacian 0.1137348E+00 (-1/4)Del**2(Rho)) -0.2843370E-01 Diamond 0.1868076E-01 Metallicity 0.1549577E+01 Ellipticity -0.6826628E+01 Gb(Abramov) 0.2629916E-01 Vb(Abramov) -0.2416463E-01 Hb(Abramov) 0.2134532E-02 Ex_ueg -0.6232271E-02 Ec_ueg -0.1232827E-02 Delta_ex -0.7415124E-02 Delta_ec 0.2169871E-02 Delta_et -0.1962401E-01 Pxc 0.5055267E+01 Qxc -0.3417312E+01 3,+1 84 3 +1 -1.731133 1.724411 -1.732255 Rho 0.1237366E-01 |GRAD(Rho)| 0.2107025E-16 GRAD(Rho)x -0.1422349E-16 GRAD(Rho)y -0.9323707E-17 GRAD(Rho)z 0.1243851E-16 Laplacian 0.6244549E-01 (-1/4)Del**2(Rho)) -0.1561137E-01 Diamond 0.2620721E-02 Metallicity 0.7304811E+00 Ellipticity -0.1266800E+01 Gb(Abramov) 0.1230822E-01 Vb(Abramov) -0.9005063E-02 Hb(Abramov) 0.3303156E-02 Ex_ueg -0.2113729E-02 Ec_ueg -0.4768458E-03 Delta_ex -0.3097488E-02 Delta_ec 0.8160034E-03 Delta_et -0.6160531E-02 Pxc 0.4432730E+01 Qxc -0.3795925E+01 3,+1 85 3 -1 -1.924194 -3.033189 -0.858308 Rho 0.1435934E+00 |GRAD(Rho)| 0.8415127E-14 GRAD(Rho)x 0.4039778E-14 GRAD(Rho)y -0.1179558E-14 GRAD(Rho)z 0.7287194E-14 Laplacian 0.5603234E+00 (-1/4)Del**2(Rho)) -0.1400809E+00 Diamond 0.1070910E+01 Metallicity 0.4842449E+01 Ellipticity 0.5899048E-01 Gb(Abramov) 0.2064430E+00 Vb(Abramov) -0.2728051E+00 Hb(Abramov) -0.6636211E-01 Ex_ueg -0.5553468E-01 Ec_ueg -0.8034667E-02 Delta_ex -0.5946358E-01 Delta_ec 0.1424656E-01 Delta_et -0.1882026E+00 Pxc 0.6911883E+01 Qxc -0.4173889E+01 3,-1 86 3 +1 -1.723661 -1.743603 1.790596 Rho 0.1185391E-01 |GRAD(Rho)| 0.1071792E-16 GRAD(Rho)x -0.2732648E-17 GRAD(Rho)y 0.1042279E-17 GRAD(Rho)z -0.1031116E-16 Laplacian 0.5923309E-01 (-1/4)Del**2(Rho)) -0.1480827E-01 Diamond 0.2347256E-02 Metallicity 0.7169434E+00 Ellipticity -0.1258441E+01 Gb(Abramov) 0.1164163E-01 Vb(Abramov) -0.8474988E-02 Hb(Abramov) 0.3166642E-02 Ex_ueg -0.1996184E-02 Ec_ueg -0.4528292E-03 Delta_ex -0.2906089E-02 Delta_ec 0.7758250E-03 Delta_et -0.5794583E-02 Pxc 0.4408249E+01 Qxc -0.3745805E+01 3,+1 87 3 -1 -1.739198 -2.805234 0.581490 Rho 0.1373246E+00 |GRAD(Rho)| 0.4886506E-11 GRAD(Rho)x 0.3669615E-11 GRAD(Rho)y -0.9622332E-13 GRAD(Rho)z 0.3225307E-11 Laplacian 0.5727136E+00 (-1/4)Del**2(Rho)) -0.1431784E+00 Diamond 0.1028482E+01 Metallicity 0.4398011E+01 Ellipticity 0.1766710E-01 Gb(Abramov) 0.2004023E+00 Vb(Abramov) -0.2576262E+00 Hb(Abramov) -0.5722390E-01 Ex_ueg -0.5232585E-01 Ec_ueg -0.7637112E-02 Delta_ex -0.6001944E-01 Delta_ec 0.1454231E-01 Delta_et -0.1904772E+00 Pxc 0.6851522E+01 Qxc -0.4127228E+01 3,-1 88 3 +3 -1.093458 -1.070573 1.173280 Rho 0.4981739E-02 |GRAD(Rho)| 0.4735448E-17 GRAD(Rho)x -0.2357387E-17 GRAD(Rho)y 0.3464608E-17 GRAD(Rho)z -0.2205378E-17 Laplacian 0.1901433E-01 (-1/4)Del**2(Rho)) -0.4753582E-02 Diamond 0.1336821E-03 Metallicity 0.5266238E+00 Ellipticity -0.2406087E+00 Gb(Abramov) 0.3586280E-02 Vb(Abramov) -0.2418977E-02 Hb(Abramov) 0.1167302E-02 Ex_ueg -0.6283858E-03 Ec_ueg -0.1461271E-03 Delta_ex -0.6577230E-03 Delta_ec 0.8636308E-04 Delta_et -0.6757495E-03 Pxc 0.4300270E+01 Qxc -0.7615789E+01 3,+3 89 3 -1 -1.696575 1.755630 0.506378 Rho 0.5641022E-01 |GRAD(Rho)| 0.1281257E-15 GRAD(Rho)x -0.3193907E-16 GRAD(Rho)y 0.1137421E-15 GRAD(Rho)z -0.4958658E-16 Laplacian 0.2287596E+00 (-1/4)Del**2(Rho)) -0.5718989E-01 Diamond 0.1330335E+00 Metallicity 0.2499369E+01 Ellipticity 0.2255929E-01 Gb(Abramov) 0.6194969E-01 Vb(Abramov) -0.6670950E-01 Hb(Abramov) -0.4759805E-02 Ex_ueg -0.1597824E-01 Ec_ueg -0.2772156E-02 Delta_ex -0.1928108E-01 Delta_ec 0.6574275E-02 Delta_et -0.7142745E-01 Pxc 0.5763831E+01 Qxc -0.2932806E+01 3,-1 90 3 +1 -0.534308 -1.659436 0.514608 Rho 0.8943550E-02 |GRAD(Rho)| 0.7595005E-14 GRAD(Rho)x 0.6144593E-14 GRAD(Rho)y 0.1986443E-14 GRAD(Rho)z 0.3997766E-14 Laplacian 0.3468770E-01 (-1/4)Del**2(Rho)) -0.8671926E-02 Diamond 0.9895402E-03 Metallicity 0.7655158E+00 Ellipticity -0.1481770E+01 Gb(Abramov) 0.6887700E-02 Vb(Abramov) -0.5103474E-02 Hb(Abramov) 0.1784226E-02 Ex_ueg -0.1371087E-02 Ec_ueg -0.3203776E-03 Delta_ex -0.1604909E-02 Delta_ec 0.4960039E-03 Delta_et -0.3418106E-02 Pxc 0.4279597E+01 Qxc -0.3235679E+01 3,+1 91 3 -1 2.883147 0.008794 0.028122 Rho 0.5518376E-02 |GRAD(Rho)| 0.1218555E-16 GRAD(Rho)x 0.5200900E-18 GRAD(Rho)y -0.9199184E-17 GRAD(Rho)z -0.7974472E-17 Laplacian 0.2236578E-01 (-1/4)Del**2(Rho)) -0.5591444E-02 Diamond 0.6796611E-03 Metallicity 0.5309431E+00 Ellipticity 0.3687887E+01 Gb(Abramov) 0.4222419E-02 Vb(Abramov) -0.2853394E-02 Hb(Abramov) 0.1369025E-02 Ex_ueg -0.7202227E-03 Ec_ueg -0.1692884E-03 Delta_ex -0.1202002E-02 Delta_ec 0.8265306E-03 Delta_et -0.4574756E-02 Pxc 0.4254412E+01 Qxc -0.1454274E+01 3,-1 92 3 +1 0.179863 2.902919 -0.225140 Rho 0.5477778E-02 |GRAD(Rho)| 0.5117071E-14 GRAD(Rho)x 0.3924257E-14 GRAD(Rho)y 0.5149126E-15 GRAD(Rho)z -0.3243377E-14 Laplacian 0.2308226E-01 (-1/4)Del**2(Rho)) -0.5770565E-02 Diamond 0.5350052E-03 Metallicity 0.5081697E+00 Ellipticity -0.1904938E+01 Gb(Abramov) 0.4335781E-02 Vb(Abramov) -0.2900997E-02 Hb(Abramov) 0.1434784E-02 Ex_ueg -0.7131665E-03 Ec_ueg -0.1675311E-03 Delta_ex -0.1107678E-02 Delta_ec 0.6188691E-03 Delta_et -0.3497445E-02 Pxc 0.4256920E+01 Qxc -0.1789843E+01 3,+1 93 3 +3 -0.066995 0.021436 2.320881 Rho 0.4280825E-02 |GRAD(Rho)| 0.2551831E-13 GRAD(Rho)x 0.6342077E-14 GRAD(Rho)y 0.1984860E-13 GRAD(Rho)z -0.1473075E-13 Laplacian 0.1722858E-01 (-1/4)Del**2(Rho)) -0.4307146E-02 Diamond 0.1360437E-03 Metallicity 0.4514151E+00 Ellipticity -0.3344461E+00 Gb(Abramov) 0.3195483E-02 Vb(Abramov) -0.2083819E-02 Hb(Abramov) 0.1111664E-02 Ex_ueg -0.5133597E-03 Ec_ueg -0.1160963E-03 Delta_ex -0.6145119E-03 Delta_ec 0.1549225E-03 Delta_et -0.9618861E-03 Pxc 0.4421844E+01 Qxc -0.3966577E+01 3,+3 94 3 +1 -1.002192 2.153020 1.475607 Rho 0.2768746E-01 |GRAD(Rho)| 0.2870073E-13 GRAD(Rho)x 0.1424202E-13 GRAD(Rho)y 0.1178992E-13 GRAD(Rho)z 0.2195210E-13 Laplacian 0.1119265E+00 (-1/4)Del**2(Rho)) -0.2798163E-01 Diamond 0.1373195E-01 Metallicity 0.1560098E+01 Ellipticity -0.2024628E+01 Gb(Abramov) 0.2593011E-01 Vb(Abramov) -0.2387858E-01 Hb(Abramov) 0.2051528E-02 Ex_ueg -0.6186275E-02 Ec_ueg -0.1224953E-02 Delta_ex -0.6858882E-02 Delta_ec 0.1371832E-02 Delta_et -0.1249513E-01 Pxc 0.5050215E+01 Qxc -0.4999797E+01 3,+1 95 3 +1 -0.585066 -0.510826 1.696582 Rho 0.7545676E-02 |GRAD(Rho)| 0.6606737E-13 GRAD(Rho)x 0.2276630E-13 GRAD(Rho)y 0.2160480E-13 GRAD(Rho)z -0.5813627E-13 Laplacian 0.2854252E-01 (-1/4)Del**2(Rho)) -0.7135630E-02 Diamond 0.6587009E-03 Metallicity 0.7008383E+00 Ellipticity -0.1460131E+01 Gb(Abramov) 0.5590574E-02 Vb(Abramov) -0.4045518E-02 Hb(Abramov) 0.1545056E-02 Ex_ueg -0.1093073E-02 Ec_ueg -0.2580566E-03 Delta_ex -0.1272163E-02 Delta_ec 0.4202848E-03 Delta_et -0.2761527E-02 Pxc 0.4235789E+01 Qxc -0.3026908E+01 3,+1 96 3 +3 1.104208 -1.131162 -1.104408 Rho 0.5271055E-02 |GRAD(Rho)| 0.4741763E-15 GRAD(Rho)x 0.1802708E-15 GRAD(Rho)y -0.1891740E-15 GRAD(Rho)z -0.3956751E-15 Laplacian 0.2073856E-01 (-1/4)Del**2(Rho)) -0.5184639E-02 Diamond 0.1552696E-03 Metallicity 0.5304738E+00 Ellipticity -0.8249750E-01 Gb(Abramov) 0.3914812E-02 Vb(Abramov) -0.2644985E-02 Hb(Abramov) 0.1269827E-02 Ex_ueg -0.6775092E-03 Ec_ueg -0.1585960E-03 Delta_ex -0.7267349E-03 Delta_ec 0.9070243E-04 Delta_et -0.7264079E-03 Pxc 0.4271918E+01 Qxc -0.8012298E+01 3,+3 97 3 -1 -1.828035 0.532696 -2.731297 Rho 0.1325464E+00 |GRAD(Rho)| 0.2514451E-15 GRAD(Rho)x 0.1557185E-16 GRAD(Rho)y -0.2415467E-15 GRAD(Rho)z -0.6809806E-16 Laplacian 0.5560211E+00 (-1/4)Del**2(Rho)) -0.1390053E+00 Diamond 0.9740841E+00 Metallicity 0.4270402E+01 Ellipticity 0.1417449E-01 Gb(Abramov) 0.1916049E+00 Vb(Abramov) -0.2442045E+00 Hb(Abramov) -0.5259963E-01 Ex_ueg -0.4991248E-01 Ec_ueg -0.7335781E-02 Delta_ex -0.5797169E-01 Delta_ec 0.1460089E-01 Delta_et -0.1909243E+00 Pxc 0.6803977E+01 Qxc -0.3970421E+01 3,-1 98 3 +1 1.710587 1.752822 1.751611 Rho 0.1218887E-01 |GRAD(Rho)| 0.1848555E-15 GRAD(Rho)x 0.1447674E-15 GRAD(Rho)y -0.2605009E-16 GRAD(Rho)z -0.1119614E-15 Laplacian 0.6160276E-01 (-1/4)Del**2(Rho)) -0.1540069E-01 Diamond 0.2521205E-02 Metallicity 0.7221352E+00 Ellipticity -0.1243444E+01 Gb(Abramov) 0.1212069E-01 Vb(Abramov) -0.8840690E-02 Hb(Abramov) 0.3280000E-02 Ex_ueg -0.2071744E-02 Ec_ueg -0.4682947E-03 Delta_ex -0.3040365E-02 Delta_ec 0.7992652E-03 Delta_et -0.6016332E-02 Pxc 0.4424018E+01 Qxc -0.3803950E+01 3,+1 99 3 +1 0.540249 -0.530997 -1.662468 Rho 0.9164377E-02 |GRAD(Rho)| 0.1325268E-16 GRAD(Rho)x -0.3646116E-17 GRAD(Rho)y 0.1273390E-16 GRAD(Rho)z 0.4326221E-18 Laplacian 0.3576846E-01 (-1/4)Del**2(Rho)) -0.8942115E-02 Diamond 0.1047475E-02 Metallicity 0.7731869E+00 Ellipticity -0.1476415E+01 Gb(Abramov) 0.7113731E-02 Vb(Abramov) -0.5285347E-02 Hb(Abramov) 0.1828384E-02 Ex_ueg -0.1416410E-02 Ec_ueg -0.3303021E-03 Delta_ex -0.1662118E-02 Delta_ec 0.5059858E-03 Delta_et -0.3513133E-02 Pxc 0.4288226E+01 Qxc -0.3284910E+01 3,+1 100 3 +1 -2.140785 -1.439782 -1.037706 Rho 0.2838704E-01 |GRAD(Rho)| 0.2960679E-12 GRAD(Rho)x 0.8053848E-13 GRAD(Rho)y -0.1873262E-12 GRAD(Rho)z 0.2146594E-12 Laplacian 0.1143385E+00 (-1/4)Del**2(Rho)) -0.2858462E-01 Diamond 0.1673574E-01 Metallicity 0.1592041E+01 Ellipticity -0.2937232E+01 Gb(Abramov) 0.2664106E-01 Vb(Abramov) -0.2469750E-01 Hb(Abramov) 0.1943560E-02 Ex_ueg -0.6395559E-02 Ec_ueg -0.1260713E-02 Delta_ex -0.7258855E-02 Delta_ec 0.1763723E-02 Delta_et -0.1607878E-01 Pxc 0.5072970E+01 Qxc -0.4115643E+01 3,+1 101 3 -1 -0.816129 -2.964036 -2.040171 Rho 0.1227187E+00 |GRAD(Rho)| 0.1556841E-15 GRAD(Rho)x 0.9808642E-16 GRAD(Rho)y 0.6513345E-16 GRAD(Rho)z -0.1018540E-15 Laplacian 0.4760035E+00 (-1/4)Del**2(Rho)) -0.1190009E+00 Diamond 0.7545151E+00 Metallicity 0.4387202E+01 Ellipticity 0.3421621E-01 Gb(Abramov) 0.1663474E+00 Vb(Abramov) -0.2136939E+00 Hb(Abramov) -0.4734652E-01 Ex_ueg -0.4504011E-01 Ec_ueg -0.6720744E-02 Delta_ex -0.4864532E-01 Delta_ec 0.1259882E-01 Delta_et -0.1624278E+00 Pxc 0.6701655E+01 Qxc -0.3861102E+01 3,-1 102 3 +1 1.654735 0.534633 0.536305 Rho 0.9001220E-02 |GRAD(Rho)| 0.2306726E-13 GRAD(Rho)x -0.1491509E-13 GRAD(Rho)y -0.4114195E-14 GRAD(Rho)z -0.1710882E-13 Laplacian 0.3489129E-01 (-1/4)Del**2(Rho)) -0.8722823E-02 Diamond 0.9850912E-03 Metallicity 0.7692457E+00 Ellipticity -0.1462406E+01 Gb(Abramov) 0.6933548E-02 Vb(Abramov) -0.5144272E-02 Hb(Abramov) 0.1789275E-02 Ex_ueg -0.1382888E-02 Ec_ueg -0.3229674E-03 Delta_ex -0.1608897E-02 Delta_ec 0.4845184E-03 Delta_et -0.3355829E-02 Pxc 0.4281819E+01 Qxc -0.3320611E+01 3,+1 103 3 +3 -0.007495 -2.324695 -0.033014 Rho 0.4657647E-02 |GRAD(Rho)| 0.1168769E-16 GRAD(Rho)x -0.5514971E-17 GRAD(Rho)y 0.6016155E-17 GRAD(Rho)z -0.8366191E-17 Laplacian 0.1922656E-01 (-1/4)Del**2(Rho)) -0.4806641E-02 Diamond 0.1804377E-03 Metallicity 0.4655745E+00 Ellipticity -0.3952376E+00 Gb(Abramov) 0.3577402E-02 Vb(Abramov) -0.2348163E-02 Hb(Abramov) 0.1229239E-02 Ex_ueg -0.5744786E-03 Ec_ueg -0.1322098E-03 Delta_ex -0.7111489E-03 Delta_ec 0.1914734E-03 Delta_et -0.1186497E-02 Pxc 0.4345203E+01 Qxc -0.3714088E+01 3,+3 104 3 -1 -0.541672 1.705772 1.751573 Rho 0.4139722E-01 |GRAD(Rho)| 0.1029940E-15 GRAD(Rho)x -0.3917316E-16 GRAD(Rho)y -0.2865237E-16 GRAD(Rho)z -0.9084195E-16 Laplacian 0.1737343E+00 (-1/4)Del**2(Rho)) -0.4343357E-01 Diamond 0.6984044E-01 Metallicity 0.1964927E+01 Ellipticity 0.2794846E-01 Gb(Abramov) 0.4317968E-01 Vb(Abramov) -0.4292578E-01 Hb(Abramov) 0.2538927E-03 Ex_ueg -0.1057661E-01 Ec_ueg -0.1945176E-02 Delta_ex -0.1373573E-01 Delta_ec 0.5352661E-02 Delta_et -0.5371318E-01 Pxc 0.5437357E+01 Qxc -0.2566150E+01 3,-1 105 3 +1 0.511213 0.557480 1.655447 Rho 0.8394343E-02 |GRAD(Rho)| 0.5285210E-17 GRAD(Rho)x -0.2202765E-17 GRAD(Rho)y 0.8296721E-18 GRAD(Rho)z 0.4732115E-17 Laplacian 0.3208944E-01 (-1/4)Del**2(Rho)) -0.8022361E-02 Diamond 0.8394459E-03 Metallicity 0.7445528E+00 Ellipticity -0.1470734E+01 Gb(Abramov) 0.6343753E-02 Vb(Abramov) -0.4665144E-02 Hb(Abramov) 0.1678608E-02 Ex_ueg -0.1259991E-02 Ec_ueg -0.2957879E-03 Delta_ex -0.1461006E-02 Delta_ec 0.4586563E-03 Delta_et -0.3109616E-02 Pxc 0.4259778E+01 Qxc -0.3185404E+01 3,+1 106 3 -1 -0.872085 1.942983 3.017273 Rho 0.1420962E+00 |GRAD(Rho)| 0.1751671E-11 GRAD(Rho)x -0.1332513E-11 GRAD(Rho)y -0.9249024E-12 GRAD(Rho)z 0.6612987E-12 Laplacian 0.5545848E+00 (-1/4)Del**2(Rho)) -0.1386462E+00 Diamond 0.1044186E+01 Metallicity 0.4807835E+01 Ellipticity 0.5837214E-01 Gb(Abramov) 0.2035288E+00 Vb(Abramov) -0.2684114E+00 Hb(Abramov) -0.6488261E-01 Ex_ueg -0.5476400E-01 Ec_ueg -0.7939495E-02 Delta_ex -0.5867713E-01 Delta_ec 0.1408934E-01 Delta_et -0.1857399E+00 Pxc 0.6897668E+01 Qxc -0.4164647E+01 3,-1 107 3 -1 -0.619404 -1.748745 2.877032 Rho 0.1667885E+00 |GRAD(Rho)| 0.2786225E-11 GRAD(Rho)x 0.1896778E-11 GRAD(Rho)y -0.1961412E-11 GRAD(Rho)z -0.5640478E-12 Laplacian 0.6934690E+00 (-1/4)Del**2(Rho)) -0.1733673E+00 Diamond 0.1564860E+01 Metallicity 0.5021840E+01 Ellipticity 0.3538709E-01 Gb(Abramov) 0.2606819E+00 Vb(Abramov) -0.3479966E+00 Hb(Abramov) -0.8731468E-01 Ex_ueg -0.6780678E-01 Ec_ueg -0.9526742E-02 Delta_ex -0.7618199E-01 Delta_ec 0.1664485E-01 Delta_et -0.2233435E+00 Pxc 0.7117520E+01 Qxc -0.4576911E+01 3,-1 108 3 -1 -0.527212 -1.703570 -1.781021 Rho 0.4442363E-01 |GRAD(Rho)| 0.2018940E-13 GRAD(Rho)x 0.6811363E-14 GRAD(Rho)y -0.1265653E-13 GRAD(Rho)z -0.1417848E-13 Laplacian 0.1889788E+00 (-1/4)Del**2(Rho)) -0.4724470E-01 Diamond 0.8349663E-01 Metallicity 0.2031843E+01 Ellipticity 0.6850180E-02 Gb(Abramov) 0.4749544E-01 Vb(Abramov) -0.4774618E-01 Hb(Abramov) -0.2507390E-03 Ex_ueg -0.1161994E-01 Ec_ueg -0.2109034E-02 Delta_ex -0.1519805E-01 Delta_ec 0.5809074E-02 Delta_et -0.5940925E-01 Pxc 0.5509602E+01 Qxc -0.2616260E+01 3,-1 109 3 +3 1.080655 1.105309 1.127021 Rho 0.5226265E-02 |GRAD(Rho)| 0.5064316E-17 GRAD(Rho)x -0.4178730E-17 GRAD(Rho)y -0.1094532E-17 GRAD(Rho)z -0.2643391E-17 Laplacian 0.2016557E-01 (-1/4)Del**2(Rho)) -0.5041393E-02 Diamond 0.1476318E-03 Metallicity 0.5378423E+00 Ellipticity -0.3431819E-01 Gb(Abramov) 0.3812841E-02 Vb(Abramov) -0.2584289E-02 Hb(Abramov) 0.1228552E-02 Ex_ueg -0.6698439E-03 Ec_ueg -0.1566629E-03 Delta_ex -0.7035846E-03 Delta_ec 0.8570954E-04 Delta_et -0.6926391E-03 Pxc 0.4275703E+01 Qxc -0.8208942E+01 3,+3 110 3 +1 -1.141712 -1.315451 -2.189975 Rho 0.2842412E-01 |GRAD(Rho)| 0.4109516E-16 GRAD(Rho)x 0.1552773E-16 GRAD(Rho)y 0.8091305E-17 GRAD(Rho)z 0.3717839E-16 Laplacian 0.1159427E+00 (-1/4)Del**2(Rho)) -0.2898568E-01 Diamond 0.1903251E-01 Metallicity 0.1573432E+01 Ellipticity -0.5429724E+01 Gb(Abramov) 0.2692496E-01 Vb(Abramov) -0.2486423E-01 Hb(Abramov) 0.2060729E-02 Ex_ueg -0.6406700E-02 Ec_ueg -0.1262611E-02 Delta_ex -0.7549236E-02 Delta_ec 0.2120397E-02 Delta_et -0.1928700E-01 Pxc 0.5074166E+01 Qxc -0.3560293E+01 3,+1 111 3 -1 -0.467684 -0.471674 -0.488850 Rho 0.1896646E+00 |GRAD(Rho)| 0.1680445E-15 GRAD(Rho)x 0.3816392E-16 GRAD(Rho)y 0.8673617E-16 GRAD(Rho)z -0.1387779E-15 Laplacian 0.5329592E+00 (-1/4)Del**2(Rho)) -0.1332398E+00 Diamond 0.1458120E+01 Metallicity 0.8095236E+01 Ellipticity 0.2248206E-02 Gb(Abramov) 0.2685945E+00 Vb(Abramov) -0.4039491E+00 Hb(Abramov) -0.1353547E+00 Ex_ueg -0.8048222E-01 Ec_ueg -0.1102936E-01 Delta_ex -0.6087990E-01 Delta_ec 0.1307384E-01 Delta_et -0.1800093E+00 Pxc 0.7297089E+01 Qxc -0.4656619E+01 3,-1 112 3 -1 0.476626 0.468957 -0.482136 Rho 0.1874423E+00 |GRAD(Rho)| 0.6926144E-14 GRAD(Rho)x 0.4666406E-14 GRAD(Rho)y 0.4076600E-14 GRAD(Rho)z -0.3094747E-14 Laplacian 0.5228880E+00 (-1/4)Del**2(Rho)) -0.1307220E+00 Diamond 0.1410536E+01 Metallicity 0.8090654E+01 Ellipticity 0.2976539E-02 Gb(Abramov) 0.2634191E+00 Vb(Abramov) -0.3961162E+00 Hb(Abramov) -0.1326971E+00 Ex_ueg -0.7922734E-01 Ec_ueg -0.1088208E-01 Delta_ex -0.5955298E-01 Delta_ec 0.1286782E-01 Delta_et -0.1769586E+00 Pxc 0.7280536E+01 Qxc -0.4628056E+01 3,-1 113 3 +3 0.022941 0.004204 -2.323342 Rho 0.4885997E-02 |GRAD(Rho)| 0.4966778E-17 GRAD(Rho)x -0.3075682E-17 GRAD(Rho)y -0.2800416E-17 GRAD(Rho)z 0.2714173E-17 Laplacian 0.2003595E-01 (-1/4)Del**2(Rho)) -0.5008988E-02 Diamond 0.1989920E-03 Metallicity 0.4838661E+00 Ellipticity -0.3190137E+00 Gb(Abramov) 0.3743272E-02 Vb(Abramov) -0.2477556E-02 Hb(Abramov) 0.1265716E-02 Ex_ueg -0.6123353E-03 Ec_ueg -0.1420101E-03 Delta_ex -0.7485465E-03 Delta_ec 0.1966942E-03 Delta_et -0.1236831E-02 Pxc 0.4311914E+01 Qxc -0.3805636E+01 3,+3 114 3 +1 0.199353 0.181886 -2.865803 Rho 0.5462055E-02 |GRAD(Rho)| 0.1492292E-16 GRAD(Rho)x 0.7359235E-17 GRAD(Rho)y -0.1297301E-16 GRAD(Rho)z 0.4861274E-18 Laplacian 0.2265459E-01 (-1/4)Del**2(Rho)) -0.5663648E-02 Diamond 0.5505437E-03 Metallicity 0.5152884E+00 Ellipticity -0.2344555E+01 Gb(Abramov) 0.4262168E-02 Vb(Abramov) -0.2860687E-02 Hb(Abramov) 0.1401481E-02 Ex_ueg -0.7104385E-03 Ec_ueg -0.1668508E-03 Delta_ex -0.1109191E-02 Delta_ec 0.6478956E-03 Delta_et -0.3639366E-02 Pxc 0.4257927E+01 Qxc -0.1711990E+01 3,+1 115 3 +1 0.528421 -1.669386 -0.552002 Rho 0.8691523E-02 |GRAD(Rho)| 0.6726249E-17 GRAD(Rho)x -0.4426422E-17 GRAD(Rho)y -0.4603260E-17 GRAD(Rho)z -0.2111683E-17 Laplacian 0.3407190E-01 (-1/4)Del**2(Rho)) -0.8517975E-02 Diamond 0.9465790E-03 Metallicity 0.7430932E+00 Ellipticity -0.1470773E+01 Gb(Abramov) 0.6733592E-02 Vb(Abramov) -0.4949208E-02 Hb(Abramov) 0.1784383E-02 Ex_ueg -0.1319815E-02 Ec_ueg -0.3090770E-03 Delta_ex -0.1570277E-02 Delta_ec 0.4965166E-03 Delta_et -0.3389094E-02 Pxc 0.4270181E+01 Qxc -0.3162587E+01 3,+1 116 3 +1 1.661571 -0.532426 -0.514947 Rho 0.9174937E-02 |GRAD(Rho)| 0.1259894E-16 GRAD(Rho)x -0.6967693E-17 GRAD(Rho)y -0.7966964E-17 GRAD(Rho)z 0.6834626E-17 Laplacian 0.3610202E-01 (-1/4)Del**2(Rho)) -0.9025506E-02 Diamond 0.1053195E-02 Metallicity 0.7675148E+00 Ellipticity -0.1460403E+01 Gb(Abramov) 0.7171539E-02 Vb(Abramov) -0.5317572E-02 Hb(Abramov) 0.1853967E-02 Ex_ueg -0.1418587E-02 Ec_ueg -0.3307772E-03 Delta_ex -0.1675749E-02 Delta_ec 0.5064905E-03 Delta_et -0.3521011E-02 Pxc 0.4288647E+01 Qxc -0.3308551E+01 3,+1 117 3 -1 0.573768 1.765402 2.818718 Rho 0.1494350E+00 |GRAD(Rho)| 0.3322293E-15 GRAD(Rho)x -0.2733409E-15 GRAD(Rho)y 0.1878922E-15 GRAD(Rho)z -0.1890916E-16 Laplacian 0.6310546E+00 (-1/4)Del**2(Rho)) -0.1577636E+00 Diamond 0.1250386E+01 Metallicity 0.4595152E+01 Ellipticity 0.2450719E-01 Gb(Abramov) 0.2260004E+00 Vb(Abramov) -0.2942372E+00 Hb(Abramov) -0.6823678E-01 Ex_ueg -0.5856722E-01 Ec_ueg -0.8407353E-02 Delta_ex -0.6747960E-01 Delta_ec 0.1562123E-01 Delta_et -0.2069108E+00 Pxc 0.6966191E+01 Qxc -0.4319736E+01 3,-1 118 3 -1 0.563142 1.694347 -1.788975 Rho 0.4301645E-01 |GRAD(Rho)| 0.7555481E-16 GRAD(Rho)x 0.2823521E-16 GRAD(Rho)y -0.6864016E-16 GRAD(Rho)z 0.1413613E-16 Laplacian 0.1828762E+00 (-1/4)Del**2(Rho)) -0.4571904E-01 Diamond 0.7715344E-01 Metallicity 0.1989972E+01 Ellipticity 0.1473988E-01 Gb(Abramov) 0.4564263E-01 Vb(Abramov) -0.4556622E-01 Hb(Abramov) 0.7641381E-04 Ex_ueg -0.1113178E-01 Ec_ueg -0.2032650E-02 Delta_ex -0.1458052E-01 Delta_ec 0.5604975E-02 Delta_et -0.5682591E-01 Pxc 0.5476484E+01 Qxc -0.2601353E+01 3,-1 119 3 +1 0.164327 -2.883245 0.149990 Rho 0.5375891E-02 |GRAD(Rho)| 0.1589863E-14 GRAD(Rho)x 0.1323702E-14 GRAD(Rho)y -0.9633502E-17 GRAD(Rho)z 0.8805594E-15 Laplacian 0.2238408E-01 (-1/4)Del**2(Rho)) -0.5596019E-02 Diamond 0.6071895E-03 Metallicity 0.5078765E+00 Ellipticity -0.6014859E+01 Gb(Abramov) 0.4204361E-02 Vb(Abramov) -0.2812702E-02 Hb(Abramov) 0.1391659E-02 Ex_ueg -0.6955351E-03 Ec_ueg -0.1631246E-03 Delta_ex -0.1155442E-02 Delta_ec 0.7526497E-03 Delta_et -0.4158251E-02 Pxc 0.4263826E+01 Qxc -0.1535165E+01 3,+1 120 3 -1 0.082567 -3.134771 -3.263219 Rho 0.2470186E+00 |GRAD(Rho)| 0.1767307E-14 GRAD(Rho)x -0.3691708E-15 GRAD(Rho)y 0.1306138E-14 GRAD(Rho)z 0.1131853E-14 Laplacian 0.8804195E+00 (-1/4)Del**2(Rho)) -0.2201049E+00 Diamond 0.3239503E+01 Metallicity 0.7611548E+01 Ellipticity 0.3766608E-02 Gb(Abramov) 0.4259597E+00 Vb(Abramov) -0.6318146E+00 Hb(Abramov) -0.2058549E+00 Ex_ueg -0.1144699E+00 Ec_ueg -0.1492564E-01 Delta_ex -0.1072585E+00 Delta_ec 0.1942676E-01 Delta_et -0.2699886E+00 Pxc 0.7669347E+01 Qxc -0.5521174E+01 3,-1 121 3 -1 0.105746 -2.888597 0.088715 Rho 0.5377953E-02 |GRAD(Rho)| 0.1307451E-16 GRAD(Rho)x 0.7338862E-17 GRAD(Rho)y 0.9662825E-17 GRAD(Rho)z -0.4869661E-17 Laplacian 0.2208581E-01 (-1/4)Del**2(Rho)) -0.5521451E-02 Diamond 0.6497117E-03 Metallicity 0.5150645E+00 Ellipticity 0.5465366E+01 Gb(Abramov) 0.4154951E-02 Vb(Abramov) -0.2788452E-02 Hb(Abramov) 0.1366500E-02 Ex_ueg -0.6958907E-03 Ec_ueg -0.1632137E-03 Delta_ex -0.1182514E-02 Delta_ec 0.8182965E-03 Delta_et -0.4493058E-02 Pxc 0.4263677E+01 Qxc -0.1445093E+01 3,-1 122 3 -1 0.563447 -2.740797 -1.848834 Rho 0.1040824E+00 |GRAD(Rho)| 0.7633986E-14 GRAD(Rho)x -0.4498013E-14 GRAD(Rho)y 0.1883674E-14 GRAD(Rho)z -0.5873448E-14 Laplacian 0.4300380E+00 (-1/4)Del**2(Rho)) -0.1075095E+00 Diamond 0.5606135E+00 Metallicity 0.3690355E+01 Ellipticity 0.1449104E-01 Gb(Abramov) 0.1377977E+00 Vb(Abramov) -0.1680859E+00 Hb(Abramov) -0.3028820E-01 Ex_ueg -0.3615940E-01 Ec_ueg -0.5573003E-02 Delta_ex -0.4229076E-01 Delta_ec 0.1186607E-01 Delta_et -0.1485359E+00 Pxc 0.6488315E+01 Qxc -0.3564007E+01 3,-1 123 3 -1 0.835586 -2.915222 2.058269 Rho 0.8309861E-01 |GRAD(Rho)| 0.2584491E-15 GRAD(Rho)x -0.1844499E-15 GRAD(Rho)y 0.8918410E-16 GRAD(Rho)z 0.1575447E-15 Laplacian 0.3316281E+00 (-1/4)Del**2(Rho)) -0.8290703E-01 Diamond 0.3297790E+00 Metallicity 0.3288149E+01 Ellipticity 0.3193985E-01 Gb(Abramov) 0.1007065E+00 Vb(Abramov) -0.1185059E+00 Hb(Abramov) -0.1779943E-01 Ex_ueg -0.2678202E-01 Ec_ueg -0.4313164E-02 Delta_ex -0.3097134E-01 Delta_ec 0.9622658E-02 Delta_et -0.1149882E+00 Pxc 0.6209369E+01 Qxc -0.3218585E+01 3,-1 124 3 -1 0.898858 1.939498 -3.060327 Rho 0.1520250E+00 |GRAD(Rho)| 0.2290149E-14 GRAD(Rho)x 0.1776885E-14 GRAD(Rho)y -0.8168515E-15 GRAD(Rho)z -0.1191728E-14 Laplacian 0.5928273E+00 (-1/4)Del**2(Rho)) -0.1482068E+00 Diamond 0.1211611E+01 Metallicity 0.5033574E+01 Ellipticity 0.6724705E-01 Gb(Abramov) 0.2231396E+00 Vb(Abramov) -0.2980723E+00 Hb(Abramov) -0.7493273E-01 Ex_ueg -0.5992457E-01 Ec_ueg -0.8573266E-02 Delta_ex -0.6378385E-01 Delta_ec 0.1482952E-01 Delta_et -0.1973952E+00 Pxc 0.6989701E+01 Qxc -0.4301141E+01 3,-1 125 3 -1 0.845474 -1.923757 3.039360 Rho 0.1407547E+00 |GRAD(Rho)| 0.1659253E-11 GRAD(Rho)x 0.1305168E-11 GRAD(Rho)y 0.8407441E-12 GRAD(Rho)z 0.5854966E-12 Laplacian 0.5483986E+00 (-1/4)Del**2(Rho)) -0.1370996E+00 Diamond 0.1020923E+01 Metallicity 0.4785806E+01 Ellipticity 0.5570136E-01 Gb(Abramov) 0.2007551E+00 Vb(Abramov) -0.2644106E+00 Hb(Abramov) -0.6365550E-01 Ex_ueg -0.5407572E-01 Ec_ueg -0.7854335E-02 Delta_ex -0.5788910E-01 Delta_ec 0.1396630E-01 Delta_et -0.1838662E+00 Pxc 0.6884825E+01 Qxc -0.4144912E+01 3,-1 126 3 -1 0.576320 -1.771822 -2.803233 Rho 0.1431013E+00 |GRAD(Rho)| 0.4244814E-15 GRAD(Rho)x 0.2609675E-15 GRAD(Rho)y 0.2631630E-15 GRAD(Rho)z -0.2069437E-15 Laplacian 0.6039208E+00 (-1/4)Del**2(Rho)) -0.1509802E+00 Diamond 0.1135805E+01 Metallicity 0.4467241E+01 Ellipticity 0.2259078E-01 Gb(Abramov) 0.2130643E+00 Vb(Abramov) -0.2751484E+00 Hb(Abramov) -0.6208408E-01 Ex_ueg -0.5528110E-01 Ec_ueg -0.8003373E-02 Delta_ex -0.6389136E-01 Delta_ec 0.1510896E-01 Delta_et -0.1989336E+00 Pxc 0.6907225E+01 Qxc -0.4228706E+01 3,-1 127 3 +1 2.885615 -0.123041 0.158152 Rho 0.5500936E-02 |GRAD(Rho)| 0.1489779E-15 GRAD(Rho)x -0.4169215E-16 GRAD(Rho)y -0.9317977E-16 GRAD(Rho)z 0.1085067E-15 Laplacian 0.2279833E-01 (-1/4)Del**2(Rho)) -0.5699582E-02 Diamond 0.6028758E-03 Metallicity 0.5181289E+00 Ellipticity -0.3455979E+01 Gb(Abramov) 0.4291908E-02 Vb(Abramov) -0.2884234E-02 Hb(Abramov) 0.1407674E-02 Ex_ueg -0.7171894E-03 Ec_ueg -0.1685334E-03 Delta_ex -0.1153413E-02 Delta_ec 0.7155378E-03 Delta_et -0.3999841E-02 Pxc 0.4255473E+01 Qxc -0.1611953E+01 3,+1 128 3 -1 0.500593 -1.674790 1.793400 Rho 0.4166046E-01 |GRAD(Rho)| 0.2931040E-15 GRAD(Rho)x 0.4066457E-16 GRAD(Rho)y -0.1618665E-15 GRAD(Rho)z 0.2409472E-15 Laplacian 0.1728680E+00 (-1/4)Del**2(Rho)) -0.4321699E-01 Diamond 0.7022811E-01 Metallicity 0.1995747E+01 Ellipticity 0.5857787E-01 Gb(Abramov) 0.4318636E-01 Vb(Abramov) -0.4315572E-01 Hb(Abramov) 0.3063365E-04 Ex_ueg -0.1066638E-01 Ec_ueg -0.1959365E-02 Delta_ex -0.1369603E-01 Delta_ec 0.5338974E-02 Delta_et -0.5366956E-01 Pxc 0.5443795E+01 Qxc -0.2565292E+01 3,-1 129 3 -1 0.840570 2.950238 -2.061736 Rho 0.1308093E+00 |GRAD(Rho)| 0.6478395E-13 GRAD(Rho)x -0.4191966E-13 GRAD(Rho)y -0.2760110E-13 GRAD(Rho)z -0.4096195E-13 Laplacian 0.5089578E+00 (-1/4)Del**2(Rho)) -0.1272395E+00 Diamond 0.8688769E+00 Metallicity 0.4563826E+01 Ellipticity 0.4082332E-01 Gb(Abramov) 0.1816094E+00 Vb(Abramov) -0.2359794E+00 Hb(Abramov) -0.5436998E-01 Ex_ueg -0.4904220E-01 Ec_ueg -0.7226599E-02 Delta_ex -0.5279170E-01 Delta_ec 0.1322079E-01 Delta_et -0.1721611E+00 Pxc 0.6786345E+01 Qxc -0.3993082E+01 3,-1 130 3 -1 0.528118 2.739069 1.853476 Rho 0.1217796E+00 |GRAD(Rho)| 0.9912176E-16 GRAD(Rho)x -0.8114576E-16 GRAD(Rho)y -0.2340183E-16 GRAD(Rho)z -0.5189263E-16 Laplacian 0.5088291E+00 (-1/4)Del**2(Rho)) -0.1272073E+00 Diamond 0.7939037E+00 Metallicity 0.4051963E+01 Ellipticity 0.2697881E-02 Gb(Abramov) 0.1707114E+00 Vb(Abramov) -0.2142155E+00 Hb(Abramov) -0.4350411E-01 Ex_ueg -0.4458114E-01 Ec_ueg -0.6662316E-02 Delta_ex -0.5183562E-01 Delta_ec 0.1336923E-01 Delta_et -0.1719267E+00 Pxc 0.6691538E+01 Qxc -0.3877233E+01 3,-1 131 3 +1 1.197923 1.265610 -2.192359 Rho 0.2760091E-01 |GRAD(Rho)| 0.1953848E-16 GRAD(Rho)x 0.2415195E-17 GRAD(Rho)y 0.7148086E-17 GRAD(Rho)z -0.1802287E-16 Laplacian 0.1117531E+00 (-1/4)Del**2(Rho)) -0.2793827E-01 Diamond 0.1799168E-01 Metallicity 0.1554387E+01 Ellipticity -0.6637844E+01 Gb(Abramov) 0.2586333E-01 Vb(Abramov) -0.2378839E-01 Hb(Abramov) 0.2074942E-02 Ex_ueg -0.6160503E-02 Ec_ueg -0.1220537E-02 Delta_ex -0.7255363E-02 Delta_ec 0.2107294E-02 Delta_et -0.1902014E-01 Pxc 0.5047372E+01 Qxc -0.3442976E+01 3,+1 132 3 +1 1.109649 -1.318818 2.174310 Rho 0.2815180E-01 |GRAD(Rho)| 0.7509281E-14 GRAD(Rho)x -0.5799677E-14 GRAD(Rho)y -0.4537991E-14 GRAD(Rho)z -0.1469590E-14 Laplacian 0.1144758E+00 (-1/4)Del**2(Rho)) -0.2861894E-01 Diamond 0.1877242E-01 Metallicity 0.1568230E+01 Ellipticity -0.5903497E+01 Gb(Abramov) 0.2655948E-01 Vb(Abramov) -0.2450001E-01 Hb(Abramov) 0.2059465E-02 Ex_ueg -0.6324992E-02 Ec_ueg -0.1248675E-02 Delta_ex -0.7455779E-02 Delta_ec 0.2131296E-02 Delta_et -0.1933528E-01 Pxc 0.5065363E+01 Qxc -0.3498237E+01 3,+1 133 3 +3 2.319077 0.003572 0.025431 Rho 0.4835294E-02 |GRAD(Rho)| 0.1858508E-16 GRAD(Rho)x -0.1349665E-16 GRAD(Rho)y 0.1298691E-17 GRAD(Rho)z -0.1271059E-16 Laplacian 0.1988594E-01 (-1/4)Del**2(Rho)) -0.4971484E-02 Diamond 0.1912378E-03 Metallicity 0.4791137E+00 Ellipticity -0.2861956E+00 Gb(Abramov) 0.3711307E-02 Vb(Abramov) -0.2451130E-02 Hb(Abramov) 0.1260177E-02 Ex_ueg -0.6038776E-03 Ec_ueg -0.1398317E-03 Delta_ex -0.7375859E-03 Delta_ec 0.1891767E-03 Delta_et -0.1194415E-02 Pxc 0.4318602E+01 Qxc -0.3898926E+01 3,+3 134 3 -1 0.007038 -0.009386 -2.869399 Rho 0.5521000E-02 |GRAD(Rho)| 0.1406843E-16 GRAD(Rho)x -0.9551235E-17 GRAD(Rho)y 0.9939904E-17 GRAD(Rho)z -0.2809458E-17 Laplacian 0.2217377E-01 (-1/4)Del**2(Rho)) -0.5543443E-02 Diamond 0.6833221E-03 Metallicity 0.5359651E+00 Ellipticity 0.2231075E+01 Gb(Abramov) 0.4190811E-02 Vb(Abramov) -0.2838178E-02 Hb(Abramov) 0.1352632E-02 Ex_ueg -0.7206793E-03 Ec_ueg -0.1694020E-03 Delta_ex -0.1199163E-02 Delta_ec 0.8326033E-03 Delta_et -0.4604553E-02 Pxc 0.4254255E+01 Qxc -0.1440258E+01 3,-1 135 3 -1 1.780501 -2.796361 -0.546214 Rho 0.1616414E+00 |GRAD(Rho)| 0.4697554E-15 GRAD(Rho)x 0.4525731E-15 GRAD(Rho)y -0.1194791E-15 GRAD(Rho)z -0.3965469E-16 Laplacian 0.6680141E+00 (-1/4)Del**2(Rho)) -0.1670035E+00 Diamond 0.1439993E+01 Metallicity 0.4947834E+01 Ellipticity 0.2341232E-01 Gb(Abramov) 0.2490533E+00 Vb(Abramov) -0.3311031E+00 Hb(Abramov) -0.8204979E-01 Ex_ueg -0.6503121E-01 Ec_ueg -0.9192848E-02 Delta_ex -0.7270670E-01 Delta_ec 0.1597564E-01 Delta_et -0.2130945E+00 Pxc 0.7074109E+01 Qxc -0.4551097E+01 3,-1 136 3 -1 1.695016 1.756752 -0.533429 Rho 0.4827588E-01 |GRAD(Rho)| 0.1003590E-13 GRAD(Rho)x 0.6843553E-14 GRAD(Rho)y -0.3427781E-14 GRAD(Rho)z -0.6491179E-14 Laplacian 0.1979105E+00 (-1/4)Del**2(Rho)) -0.4947763E-01 Diamond 0.9467287E-01 Metallicity 0.2228579E+01 Ellipticity 0.1241039E-01 Gb(Abramov) 0.5136255E-01 Vb(Abramov) -0.5324747E-01 Hb(Abramov) -0.1884923E-02 Ex_ueg -0.1298251E-01 Ec_ueg -0.2319795E-02 Delta_ex -0.1610314E-01 Delta_ec 0.5819487E-02 Delta_et -0.6078396E-01 Pxc 0.5596404E+01 Qxc -0.2767106E+01 3,-1 137 3 +3 0.027766 2.316554 -0.063428 Rho 0.4841089E-02 |GRAD(Rho)| 0.9100931E-17 GRAD(Rho)x 0.8789089E-17 GRAD(Rho)y 0.8026954E-18 GRAD(Rho)z 0.2221380E-17 Laplacian 0.2008612E-01 (-1/4)Del**2(Rho)) -0.5021531E-02 Diamond 0.1918296E-03 Metallicity 0.4752866E+00 Ellipticity -0.4161880E+00 Gb(Abramov) 0.3745465E-02 Vb(Abramov) -0.2469399E-02 Hb(Abramov) 0.1276066E-02 Ex_ueg -0.6048428E-03 Ec_ueg -0.1400806E-03 Delta_ex -0.7436416E-03 Delta_ec 0.1882290E-03 Delta_et -0.1192605E-02 Pxc 0.4317819E+01 Qxc -0.3950728E+01 3,+3 138 3 -1 3.178040 -3.274727 -0.052762 Rho 0.1660080E+00 |GRAD(Rho)| 0.5621497E-15 GRAD(Rho)x 0.4417853E-15 GRAD(Rho)y -0.2905391E-15 GRAD(Rho)z -0.1908535E-15 Laplacian 0.6207925E+00 (-1/4)Del**2(Rho)) -0.1551981E+00 Diamond 0.1437575E+01 Metallicity 0.5566066E+01 Ellipticity 0.1279978E+00 Gb(Abramov) 0.2474393E+00 Vb(Abramov) -0.3396804E+00 Hb(Abramov) -0.9224113E-01 Ex_ueg -0.6738404E-01 Ec_ueg -0.9476011E-02 Delta_ex -0.6850586E-01 Delta_ec 0.1561128E-01 Delta_et -0.2112656E+00 Pxc 0.7111013E+01 Qxc -0.4388229E+01 3,-1 139 3 -1 1.699155 -1.763658 0.538025 Rho 0.4547036E-01 |GRAD(Rho)| 0.1984189E-15 GRAD(Rho)x -0.1140428E-15 GRAD(Rho)y 0.1457663E-15 GRAD(Rho)z 0.7152960E-16 Laplacian 0.1872210E+00 (-1/4)Del**2(Rho)) -0.4680526E-01 Diamond 0.8161913E-01 Metallicity 0.2132091E+01 Ellipticity 0.2851871E-01 Gb(Abramov) 0.4783569E-01 Vb(Abramov) -0.4886611E-01 Hb(Abramov) -0.1030426E-02 Ex_ueg -0.1198642E-01 Ec_ueg -0.2166065E-02 Delta_ex -0.1496002E-01 Delta_ec 0.5425669E-02 Delta_et -0.5576879E-01 Pxc 0.5533730E+01 Qxc -0.2757267E+01 3,-1 140 3 +1 1.745429 -1.742229 -1.728122 Rho 0.1215891E-01 |GRAD(Rho)| 0.1068219E-16 GRAD(Rho)x -0.6999910E-17 GRAD(Rho)y -0.4132273E-17 GRAD(Rho)z 0.6930719E-17 Laplacian 0.6135615E-01 (-1/4)Del**2(Rho)) -0.1533904E-01 Diamond 0.2516363E-02 Metallicity 0.7220701E+00 Ellipticity -0.1253119E+01 Gb(Abramov) 0.1207200E-01 Vb(Abramov) -0.8804966E-02 Hb(Abramov) 0.3267036E-02 Ex_ueg -0.2064958E-02 Ec_ueg -0.4669097E-03 Delta_ex -0.3030120E-02 Delta_ec 0.8030177E-03 Delta_et -0.6035640E-02 Pxc 0.4422606E+01 Qxc -0.3773416E+01 3,+1 141 3 -1 1.735348 2.806380 0.573287 Rho 0.1522170E+00 |GRAD(Rho)| 0.7229758E-15 GRAD(Rho)x -0.4276364E-15 GRAD(Rho)y 0.1124250E-15 GRAD(Rho)z 0.5719980E-15 Laplacian 0.6393792E+00 (-1/4)Del**2(Rho)) -0.1598448E+00 Diamond 0.1313145E+01 Metallicity 0.4676921E+01 Ellipticity 0.1468727E-01 Gb(Abramov) 0.2311601E+00 Vb(Abramov) -0.3024754E+00 Hb(Abramov) -0.7131531E-01 Ex_ueg -0.6002553E-01 Ec_ueg -0.8585586E-02 Delta_ex -0.6885701E-01 Delta_ec 0.1606585E-01 Delta_et -0.2140714E+00 Pxc 0.6991431E+01 Qxc -0.4285922E+01 3,-1 142 3 -1 1.923553 3.019060 -0.872410 Rho 0.1454496E+00 |GRAD(Rho)| 0.1552905E-13 GRAD(Rho)x 0.9997469E-14 GRAD(Rho)y 0.9903265E-14 GRAD(Rho)z 0.6567148E-14 Laplacian 0.5718260E+00 (-1/4)Del**2(Rho)) -0.1429565E+00 Diamond 0.1123045E+01 Metallicity 0.4847709E+01 Ellipticity 0.4070771E-01 Gb(Abramov) 0.2108063E+00 Vb(Abramov) -0.2786560E+00 Hb(Abramov) -0.6784976E-01 Ex_ueg -0.5649390E-01 Ec_ueg -0.8152859E-02 Delta_ex -0.6101214E-01 Delta_ec 0.1473686E-01 Delta_et -0.1955808E+00 Pxc 0.6929336E+01 Qxc -0.4140103E+01 3,-1 143 3 +1 2.168501 -1.305574 1.136638 Rho 0.2834333E-01 |GRAD(Rho)| 0.5763880E-16 GRAD(Rho)x -0.5586357E-16 GRAD(Rho)y 0.1069936E-16 GRAD(Rho)z -0.9328293E-17 Laplacian 0.1145587E+00 (-1/4)Del**2(Rho)) -0.2863967E-01 Diamond 0.1904910E-01 Metallicity 0.1584905E+01 Ellipticity -0.6757541E+01 Gb(Abramov) 0.2665831E-01 Vb(Abramov) -0.2467694E-01 Hb(Abramov) 0.1981366E-02 Ex_ueg -0.6382431E-02 Ec_ueg -0.1258475E-02 Delta_ex -0.7482617E-02 Delta_ec 0.2147127E-02 Delta_et -0.1950985E-01 Pxc 0.5071560E+01 Qxc -0.3484943E+01 3,+1 144 3 -1 2.041315 -0.835276 2.961135 Rho 0.1342856E+00 |GRAD(Rho)| 0.2829070E-12 GRAD(Rho)x 0.1592672E-12 GRAD(Rho)y 0.2084489E-12 GRAD(Rho)z -0.1059216E-12 Laplacian 0.5261086E+00 (-1/4)Del**2(Rho)) -0.1315272E+00 Diamond 0.9412639E+00 Metallicity 0.4612329E+01 Ellipticity 0.2240312E-01 Gb(Abramov) 0.1887925E+00 Vb(Abramov) -0.2460579E+00 Hb(Abramov) -0.5726537E-01 Ex_ueg -0.5078761E-01 Ec_ueg -0.7445289E-02 Delta_ex -0.5508420E-01 Delta_ec 0.1387600E-01 Delta_et -0.1820248E+00 Pxc 0.6821442E+01 Qxc -0.3969746E+01 3,-1 145 3 +1 2.869468 0.186829 -0.148695 Rho 0.5479699E-02 |GRAD(Rho)| 0.1314798E-16 GRAD(Rho)x -0.1424852E-18 GRAD(Rho)y -0.8057060E-17 GRAD(Rho)z -0.1038907E-16 Laplacian 0.2271798E-01 (-1/4)Del**2(Rho)) -0.5679496E-02 Diamond 0.5742071E-03 Metallicity 0.5166201E+00 Ellipticity -0.2750925E+01 Gb(Abramov) 0.4275354E-02 Vb(Abramov) -0.2871212E-02 Hb(Abramov) 0.1404142E-02 Ex_ueg -0.7135000E-03 Ec_ueg -0.1676143E-03 Delta_ex -0.1129226E-02 Delta_ec 0.6786441E-03 Delta_et -0.3802999E-02 Pxc 0.4256798E+01 Qxc -0.1663945E+01 3,+1 146 3 -1 1.848614 0.550275 2.756798 Rho 0.1248339E+00 |GRAD(Rho)| 0.3186105E-15 GRAD(Rho)x -0.1419085E-15 GRAD(Rho)y 0.2728124E-15 GRAD(Rho)z 0.8335482E-16 Laplacian 0.5238902E+00 (-1/4)Del**2(Rho)) -0.1309725E+00 Diamond 0.8576711E+00 Metallicity 0.4101352E+01 Ellipticity 0.1634847E-01 Gb(Abramov) 0.1768425E+00 Vb(Abramov) -0.2227124E+00 Hb(Abramov) -0.4586991E-01 Ex_ueg -0.4607815E-01 Ec_ueg -0.6852567E-02 Delta_ex -0.5388643E-01 Delta_ec 0.1403796E-01 Delta_et -0.1819042E+00 Pxc 0.6724218E+01 Qxc -0.3838623E+01 3,-1 147 3 -1 1.768251 0.531403 -1.691117 Rho 0.4924036E-01 |GRAD(Rho)| 0.7661898E-16 GRAD(Rho)x 0.6851988E-16 GRAD(Rho)y 0.1852885E-17 GRAD(Rho)z 0.3423538E-16 Laplacian 0.2019595E+00 (-1/4)Del**2(Rho)) -0.5048987E-01 Diamond 0.9934279E-01 Metallicity 0.2257100E+01 Ellipticity 0.2253798E-01 Gb(Abramov) 0.5265337E-01 Vb(Abramov) -0.5481686E-01 Hb(Abramov) -0.2163495E-02 Ex_ueg -0.1332948E-01 Ec_ueg -0.2372927E-02 Delta_ex -0.1651907E-01 Delta_ec 0.5945455E-02 Delta_et -0.6242345E-01 Pxc 0.5617317E+01 Qxc -0.2778437E+01 3,-1 148 3 -1 2.046711 0.833275 -2.971529 Rho 0.1258654E+00 |GRAD(Rho)| 0.1987684E-14 GRAD(Rho)x 0.8825677E-15 GRAD(Rho)y -0.1697319E-14 GRAD(Rho)z 0.5395126E-15 Laplacian 0.4944564E+00 (-1/4)Del**2(Rho)) -0.1236141E+00 Diamond 0.8179372E+00 Metallicity 0.4405504E+01 Ellipticity 0.1715206E-01 Gb(Abramov) 0.1731731E+00 Vb(Abramov) -0.2227322E+00 Hb(Abramov) -0.4955903E-01 Ex_ueg -0.4658650E-01 Ec_ueg -0.6916961E-02 Delta_ex -0.5096431E-01 Delta_ec 0.1323277E-01 Delta_et -0.1717264E+00 Pxc 0.6735111E+01 Qxc -0.3851372E+01 3,-1 149 3 -1 1.974536 -2.996231 0.864536 Rho 0.1840830E+00 |GRAD(Rho)| 0.2343496E-15 GRAD(Rho)x -0.1874857E-15 GRAD(Rho)y -0.7775085E-16 GRAD(Rho)z 0.1171480E-15 Laplacian 0.7135811E+00 (-1/4)Del**2(Rho)) -0.1783953E+00 Diamond 0.1841188E+01 Metallicity 0.5752537E+01 Ellipticity 0.6640365E-01 Gb(Abramov) 0.2899677E+00 Vb(Abramov) -0.4015402E+00 Hb(Abramov) -0.1115725E+00 Ex_ueg -0.7733986E-01 Ec_ueg -0.1065997E-01 Delta_ex -0.8058133E-01 Delta_ec 0.1707032E-01 Delta_et -0.2325779E+00 Pxc 0.7255168E+01 Qxc -0.4720553E+01 3,-1 150 3 -1 2.728925 -1.842173 -0.511870 Rho 0.1225169E+00 |GRAD(Rho)| 0.2961326E-15 GRAD(Rho)x 0.2099964E-16 GRAD(Rho)y -0.1431079E-15 GRAD(Rho)z 0.2584060E-15 Laplacian 0.5134698E+00 (-1/4)Del**2(Rho)) -0.1283675E+00 Diamond 0.7980960E+00 Metallicity 0.4055940E+01 Ellipticity 0.4101871E-01 Gb(Abramov) 0.1723534E+00 Vb(Abramov) -0.2163394E+00 Hb(Abramov) -0.4398597E-01 Ex_ueg -0.4494138E-01 Ec_ueg -0.6708183E-02 Delta_ex -0.5226827E-01 Delta_ec 0.1326500E-01 Delta_et -0.1704028E+00 Pxc 0.6699486E+01 Qxc -0.3940313E+01 3,-1 151 3 -1 2.945498 2.042103 -0.838087 Rho 0.1297717E+00 |GRAD(Rho)| 0.2341221E-15 GRAD(Rho)x 0.8932471E-16 GRAD(Rho)y 0.1978466E-15 GRAD(Rho)z -0.8769840E-16 Laplacian 0.5098041E+00 (-1/4)Del**2(Rho)) -0.1274510E+00 Diamond 0.8740317E+00 Metallicity 0.4496174E+01 Ellipticity 0.1871445E-01 Gb(Abramov) 0.1804743E+00 Vb(Abramov) -0.2334976E+00 Hb(Abramov) -0.5302331E-01 Ex_ueg -0.4852419E-01 Ec_ueg -0.7161477E-02 Delta_ex -0.5292278E-01 Delta_ec 0.1352698E-01 Delta_et -0.1764101E+00 Pxc 0.6775723E+01 Qxc -0.3912387E+01 3,-1 152 3 -1 2.727194 1.858217 0.558794 Rho 0.1338753E+00 |GRAD(Rho)| 0.9601490E-16 GRAD(Rho)x -0.2987655E-16 GRAD(Rho)y -0.2939543E-16 GRAD(Rho)z 0.8638381E-16 Laplacian 0.5641269E+00 (-1/4)Del**2(Rho)) -0.1410317E+00 Diamond 0.1002681E+01 Metallicity 0.4279606E+01 Ellipticity 0.1288915E-01 Gb(Abramov) 0.1946145E+00 Vb(Abramov) -0.2481973E+00 Hb(Abramov) -0.5358280E-01 Ex_ueg -0.5058080E-01 Ec_ueg -0.7419436E-02 Delta_ex -0.5898753E-01 Delta_ec 0.1482965E-01 Delta_et -0.1943240E+00 Pxc 0.6817338E+01 Qxc -0.3977674E+01 3,-1 153 3 -1 2.801184 -0.570727 -1.734861 Rho 0.1513606E+00 |GRAD(Rho)| 0.6883824E-13 GRAD(Rho)x -0.5003759E-13 GRAD(Rho)y -0.9705507E-14 GRAD(Rho)z -0.4626819E-13 Laplacian 0.6304144E+00 (-1/4)Del**2(Rho)) -0.1576036E+00 Diamond 0.1293139E+01 Metallicity 0.4699031E+01 Ellipticity 0.3586795E-01 Gb(Abramov) 0.2284998E+00 Vb(Abramov) -0.2993959E+00 Hb(Abramov) -0.7089617E-01 Ex_ueg -0.5957564E-01 Ec_ueg -0.8530667E-02 Delta_ex -0.6786757E-01 Delta_ec 0.1598859E-01 Delta_et -0.2131745E+00 Pxc 0.6983703E+01 Qxc -0.4244749E+01 3,-1 154 3 -1 3.033020 -0.855036 1.943258 Rho 0.1564573E+00 |GRAD(Rho)| 0.5176466E-15 GRAD(Rho)x -0.4292221E-15 GRAD(Rho)y 0.6499792E-16 GRAD(Rho)z -0.2819603E-15 Laplacian 0.6203142E+00 (-1/4)Del**2(Rho)) -0.1550786E+00 Diamond 0.1327051E+01 Metallicity 0.5046550E+01 Ellipticity 0.6420112E-01 Gb(Abramov) 0.2338210E+00 Vb(Abramov) -0.3125634E+00 Hb(Abramov) -0.7874242E-01 Ex_ueg -0.6226532E-01 Ec_ueg -0.8858149E-02 Delta_ex -0.6735599E-01 Delta_ec 0.1565307E-01 Delta_et -0.2097604E+00 Pxc 0.7029158E+01 Qxc -0.4303052E+01 3,-1 155 3 -1 2.797141 0.588171 1.772040 Rho 0.1495052E+00 |GRAD(Rho)| 0.1314934E-12 GRAD(Rho)x -0.9849149E-13 GRAD(Rho)y 0.2420462E-13 GRAD(Rho)z 0.8369032E-13 Laplacian 0.6339822E+00 (-1/4)Del**2(Rho)) -0.1584955E+00 Diamond 0.1275845E+01 Metallicity 0.4577517E+01 Ellipticity 0.1201294E-01 Gb(Abramov) 0.2265830E+00 Vb(Abramov) -0.2946706E+00 Hb(Abramov) -0.6808750E-01 Ex_ueg -0.5860394E-01 Ec_ueg -0.8411848E-02 Delta_ex -0.6799011E-01 Delta_ec 0.1603035E-01 Delta_et -0.2131402E+00 Pxc 0.6966833E+01 Qxc -0.4241337E+01 3,-1 156 3 -1 3.278290 0.063644 3.136621 Rho 0.2573474E+00 |GRAD(Rho)| 0.4265733E-14 GRAD(Rho)x -0.1932048E-14 GRAD(Rho)y 0.3801836E-14 GRAD(Rho)z 0.9855398E-16 Laplacian 0.9313106E+00 (-1/4)Del**2(Rho)) -0.2328277E+00 Diamond 0.3571933E+01 Metallicity 0.7704033E+01 Ellipticity 0.1639865E-02 Gb(Abramov) 0.4541704E+00 Vb(Abramov) -0.6755132E+00 Hb(Abramov) -0.2213428E+00 Ex_ueg -0.1208958E+00 Ec_ueg -0.1564652E-01 Delta_ex -0.1145481E+00 Delta_ec 0.2005332E-01 Delta_et -0.2778051E+00 Pxc 0.7726691E+01 Qxc -0.5712174E+01 3,-1 157 3 -1 3.018240 0.881136 -1.939988 Rho 0.1541242E+00 |GRAD(Rho)| 0.1700666E-13 GRAD(Rho)x -0.8000748E-14 GRAD(Rho)y 0.7588982E-14 GRAD(Rho)z 0.1294689E-13 Laplacian 0.6070406E+00 (-1/4)Del**2(Rho)) -0.1517601E+00 Diamond 0.1271964E+01 Metallicity 0.5029368E+01 Ellipticity 0.5010286E-01 Gb(Abramov) 0.2283830E+00 Vb(Abramov) -0.3050059E+00 Hb(Abramov) -0.7662289E-01 Ex_ueg -0.6103039E-01 Ec_ueg -0.8708042E-02 Delta_ex -0.6563753E-01 Delta_ec 0.1531640E-01 Delta_et -0.2046929E+00 Pxc 0.7008509E+01 Qxc -0.4285442E+01 3,-1 158 3 -1 3.286722 -0.077909 -3.100262 Rho 0.2574261E+00 |GRAD(Rho)| 0.3245066E-14 GRAD(Rho)x -0.1655468E-14 GRAD(Rho)y 0.1037256E-14 GRAD(Rho)z 0.2591135E-14 Laplacian 0.9368810E+00 (-1/4)Del**2(Rho)) -0.2342202E+00 Diamond 0.3587663E+01 Metallicity 0.7662133E+01 Ellipticity 0.1786230E-02 Gb(Abramov) 0.4552513E+00 Vb(Abramov) -0.6762823E+00 Hb(Abramov) -0.2210310E+00 Ex_ueg -0.1209452E+00 Ec_ueg -0.1565204E-01 Delta_ex -0.1152087E+00 Delta_ec 0.2011114E-01 Delta_et -0.2783153E+00 Pxc 0.7727118E+01 Qxc -0.5728604E+01 3,-1 159 3 -1 1.759143 -0.532602 1.700031 Rho 0.4556190E-01 |GRAD(Rho)| 0.1494291E-12 GRAD(Rho)x -0.3587885E-14 GRAD(Rho)y -0.6379663E-13 GRAD(Rho)z 0.1350784E-12 Laplacian 0.1846481E+00 (-1/4)Del**2(Rho)) -0.4616202E-01 Diamond 0.8151571E-01 Metallicity 0.2169059E+01 Ellipticity 0.1179098E-01 Gb(Abramov) 0.4746271E-01 Vb(Abramov) -0.4876340E-01 Hb(Abramov) -0.1300688E-02 Ex_ueg -0.1201861E-01 Ec_ueg -0.2171062E-02 Delta_ex -0.1480081E-01 Delta_ec 0.5420513E-02 Delta_et -0.5576018E-01 Pxc 0.5535821E+01 Qxc -0.2730519E+01 3,-1 160 3 -1 -1.739807 -0.545312 -1.702692 Rho 0.5054420E-01 |GRAD(Rho)| 0.1161039E-14 GRAD(Rho)x 0.4739370E-15 GRAD(Rho)y 0.5388625E-15 GRAD(Rho)z 0.9127004E-15 Laplacian 0.2076881E+00 (-1/4)Del**2(Rho)) -0.5192203E-01 Diamond 0.1059603E+00 Metallicity 0.2292558E+01 Ellipticity 0.1902473E-01 Gb(Abramov) 0.5445373E-01 Vb(Abramov) -0.5698544E-01 Hb(Abramov) -0.2531701E-02 Ex_ueg -0.1380215E-01 Ec_ueg -0.2444977E-02 Delta_ex -0.1710447E-01 Delta_ec 0.6120778E-02 Delta_et -0.6470523E-01 Pxc 0.5645104E+01 Qxc -0.2794493E+01 3,-1 161 3 -1 -2.936510 -2.051489 -0.825757 Rho 0.1223591E+00 |GRAD(Rho)| 0.6292686E-12 GRAD(Rho)x -0.2806878E-12 GRAD(Rho)y 0.3554689E-12 GRAD(Rho)z -0.4368468E-12 Laplacian 0.4755768E+00 (-1/4)Del**2(Rho)) -0.1188942E+00 Diamond 0.7510928E+00 Metallicity 0.4369715E+01 Ellipticity 0.3124065E-01 Gb(Abramov) 0.1658518E+00 Vb(Abramov) -0.2128093E+00 Hb(Abramov) -0.4695756E-01 Ex_ueg -0.4486423E-01 Ec_ueg -0.6698365E-02 Delta_ex -0.4856637E-01 Delta_ec 0.1259410E-01 Delta_et -0.1622824E+00 Pxc 0.6697788E+01 Qxc -0.3856280E+01 3,-1 162 3 -1 -2.817884 -0.565967 1.794844 Rho 0.1478352E+00 |GRAD(Rho)| 0.1980522E-15 GRAD(Rho)x 0.2922941E-16 GRAD(Rho)y -0.1943703E-15 GRAD(Rho)z -0.2429968E-16 Laplacian 0.6194789E+00 (-1/4)Del**2(Rho)) -0.1548697E+00 Diamond 0.1207557E+01 Metallicity 0.4597795E+01 Ellipticity 0.2794414E-01 Gb(Abramov) 0.2219231E+00 Vb(Abramov) -0.2889764E+00 Hb(Abramov) -0.6705332E-01 Ex_ueg -0.5773274E-01 Ec_ueg -0.8305079E-02 Delta_ex -0.6602416E-01 Delta_ec 0.1530129E-01 Delta_et -0.2022069E+00 Pxc 0.6951497E+01 Qxc -0.4314941E+01 3,-1 163 3 -1 -2.999621 -0.887952 -1.938135 Rho 0.1526293E+00 |GRAD(Rho)| 0.1888587E-15 GRAD(Rho)x -0.7794058E-16 GRAD(Rho)y -0.1580767E-15 GRAD(Rho)z 0.6785750E-16 Laplacian 0.6000692E+00 (-1/4)Del**2(Rho)) -0.1500173E+00 Diamond 0.1245340E+01 Metallicity 0.5005815E+01 Ellipticity 0.4864859E-01 Gb(Abramov) 0.2251714E+00 Vb(Abramov) -0.3003254E+00 Hb(Abramov) -0.7515404E-01 Ex_ueg -0.6024238E-01 Ec_ueg -0.8612036E-02 Delta_ex -0.6475351E-01 Delta_ec 0.1522289E-01 Delta_et -0.2032821E+00 Pxc 0.6995138E+01 Qxc -0.4253693E+01 3,-1 164 3 -1 -1.958892 2.989874 0.855557 Rho 0.1755850E+00 |GRAD(Rho)| 0.2146206E-15 GRAD(Rho)x -0.1547699E-15 GRAD(Rho)y 0.5490129E-16 GRAD(Rho)z -0.1381816E-15 Laplacian 0.6808056E+00 (-1/4)Del**2(Rho)) -0.1702014E+00 Diamond 0.1660027E+01 Metallicity 0.5572745E+01 Ellipticity 0.4573842E-01 Gb(Abramov) 0.2715491E+00 Vb(Abramov) -0.3728968E+00 Hb(Abramov) -0.1013477E+00 Ex_ueg -0.7261645E-01 Ec_ueg -0.1010098E-01 Delta_ex -0.7597291E-01 Delta_ec 0.1649567E-01 Delta_et -0.2236669E+00 Pxc 0.7189053E+01 Qxc -0.4605627E+01 3,-1 165 3 -1 -1.686353 -1.774118 -0.540551 Rho 0.4300105E-01 |GRAD(Rho)| 0.7801019E-13 GRAD(Rho)x -0.4938278E-13 GRAD(Rho)y -0.5381927E-13 GRAD(Rho)z 0.2739373E-13 Laplacian 0.1826333E+00 (-1/4)Del**2(Rho)) -0.4565833E-01 Diamond 0.7699629E-01 Metallicity 0.1991429E+01 Ellipticity 0.9672330E-02 Gb(Abramov) 0.4559311E-01 Vb(Abramov) -0.4552789E-01 Hb(Abramov) 0.6522175E-04 Ex_ueg -0.1112646E-01 Ec_ueg -0.2031816E-02 Delta_ex -0.1455896E-01 Delta_ec 0.5595926E-02 Delta_et -0.5672844E-01 Pxc 0.5476117E+01 Qxc -0.2601707E+01 3,-1 166 3 -1 -2.023123 -0.862308 -2.968939 Rho 0.1323434E+00 |GRAD(Rho)| 0.1532808E-13 GRAD(Rho)x -0.1271486E-13 GRAD(Rho)y 0.6392280E-14 GRAD(Rho)z -0.5693966E-14 Laplacian 0.5198415E+00 (-1/4)Del**2(Rho)) -0.1299604E+00 Diamond 0.9142764E+00 Metallicity 0.4555955E+01 Ellipticity 0.2467176E-01 Gb(Abramov) 0.1853225E+00 Vb(Abramov) -0.2406847E+00 Hb(Abramov) -0.5536214E-01 Ex_ueg -0.4981057E-01 Ec_ueg -0.7323010E-02 Delta_ex -0.5424129E-01 Delta_ec 0.1376620E-01 Delta_et -0.1801759E+00 Pxc 0.6801926E+01 Qxc -0.3940180E+01 3,-1 167 3 -1 -1.901885 -0.534382 2.792363 Rho 0.1016541E+00 |GRAD(Rho)| 0.4004287E-15 GRAD(Rho)x -0.3549407E-15 GRAD(Rho)y 0.1678243E-15 GRAD(Rho)z -0.7870969E-16 Laplacian 0.4234017E+00 (-1/4)Del**2(Rho)) -0.1058504E+00 Diamond 0.5361623E+00 Metallicity 0.3603588E+01 Ellipticity 0.1194531E-01 Gb(Abramov) 0.1341405E+00 Vb(Abramov) -0.1624306E+00 Hb(Abramov) -0.2829009E-01 Ex_ueg -0.3503898E-01 Ec_ueg -0.5425359E-02 Delta_ex -0.4140373E-01 Delta_ec 0.1173523E-01 Delta_et -0.1462126E+00 Pxc 0.6458371E+01 Qxc -0.3528158E+01 3,-1 168 3 -1 -0.483585 0.481648 0.440163 Rho 0.1847114E+00 |GRAD(Rho)| 0.1654457E-15 GRAD(Rho)x 0.6591949E-16 GRAD(Rho)y -0.2775558E-16 GRAD(Rho)z -0.1491862E-15 Laplacian 0.5020274E+00 (-1/4)Del**2(Rho)) -0.1255069E+00 Diamond 0.1332698E+01 Metallicity 0.8223217E+01 Ellipticity 0.9560304E-02 Gb(Abramov) 0.2556829E+00 Vb(Abramov) -0.3858590E+00 Hb(Abramov) -0.1301761E+00 Ex_ueg -0.7769205E-01 Ec_ueg -0.1070146E-01 Delta_ex -0.5698231E-01 Delta_ec 0.1243048E-01 Delta_et -0.1707620E+00 Pxc 0.7259945E+01 Qxc -0.4584078E+01 3,-1 169 3 -1 -0.550329 -2.714023 1.887041 Rho 0.1271250E+00 |GRAD(Rho)| 0.5869204E-12 GRAD(Rho)x -0.3405748E-12 GRAD(Rho)y -0.1555969E-12 GRAD(Rho)z -0.4519667E-12 Laplacian 0.5256521E+00 (-1/4)Del**2(Rho)) -0.1314130E+00 Diamond 0.8642559E+00 Metallicity 0.4213406E+01 Ellipticity 0.2992512E-02 Gb(Abramov) 0.1798914E+00 Vb(Abramov) -0.2283698E+00 Hb(Abramov) -0.4847838E-01 Ex_ueg -0.4720918E-01 Ec_ueg -0.6995698E-02 Delta_ex -0.5411344E-01 Delta_ec 0.1368525E-01 Delta_et -0.1772747E+00 Pxc 0.6748316E+01 Qxc -0.3954143E+01 3,-1 170 3 -1 -0.868247 -1.963464 -3.036399 Rho 0.1451919E+00 |GRAD(Rho)| 0.2327680E-15 GRAD(Rho)x 0.1659236E-15 GRAD(Rho)y -0.1628065E-15 GRAD(Rho)z -0.1201432E-16 Laplacian 0.5666275E+00 (-1/4)Del**2(Rho)) -0.1416569E+00 Diamond 0.1096619E+01 Metallicity 0.4877750E+01 Ellipticity 0.6098040E-01 Gb(Abramov) 0.2095991E+00 Vb(Abramov) -0.2775413E+00 Hb(Abramov) -0.6794219E-01 Ex_ueg -0.5636052E-01 Ec_ueg -0.8136441E-02 Delta_ex -0.6028720E-01 Delta_ec 0.1435200E-01 Delta_et -0.1898623E+00 Pxc 0.6926925E+01 Qxc -0.4200614E+01 3,-1 171 3 -1 -0.535217 2.729366 -1.868209 Rho 0.9372320E-01 |GRAD(Rho)| 0.4445644E-15 GRAD(Rho)x -0.3086893E-15 GRAD(Rho)y 0.8925864E-16 GRAD(Rho)z 0.3072155E-15 Laplacian 0.3871893E+00 (-1/4)Del**2(Rho)) -0.9679733E-01 Diamond 0.4463331E+00 Metallicity 0.3441663E+01 Ellipticity 0.1555072E-01 Gb(Abramov) 0.1200555E+00 Vb(Abramov) -0.1433137E+00 Hb(Abramov) -0.2325819E-01 Ex_ueg -0.3144232E-01 Ec_ueg -0.4946421E-02 Delta_ex -0.3718885E-01 Delta_ec 0.1098470E-01 Delta_et -0.1347102E+00 Pxc 0.6356579E+01 Qxc -0.3385513E+01 3,-1 172 3 -1 -0.859036 2.937692 2.036304 Rho 0.1039162E+00 |GRAD(Rho)| 0.1834686E-15 GRAD(Rho)x 0.6277531E-16 GRAD(Rho)y 0.5455570E-16 GRAD(Rho)z 0.1635350E-15 Laplacian 0.4094867E+00 (-1/4)Del**2(Rho)) -0.1023717E+00 Diamond 0.5327221E+00 Metallicity 0.3865259E+01 Ellipticity 0.3566512E-01 Gb(Abramov) 0.1341966E+00 Vb(Abramov) -0.1660216E+00 Hb(Abramov) -0.3182495E-01 Ex_ueg -0.3608244E-01 Ec_ueg -0.5562885E-02 Delta_ex -0.4025346E-01 Delta_ec 0.1130092E-01 Delta_et -0.1414151E+00 Pxc 0.6486283E+01 Qxc -0.3561963E+01 3,-1 173 3 -1 -0.043681 3.114596 -3.294112 Rho 0.2473703E+00 |GRAD(Rho)| 0.4257687E-15 GRAD(Rho)x -0.1821189E-15 GRAD(Rho)y 0.1747734E-15 GRAD(Rho)z -0.3428789E-15 Laplacian 0.8786988E+00 (-1/4)Del**2(Rho)) -0.2196747E+00 Diamond 0.3240885E+01 Metallicity 0.7644559E+01 Ellipticity 0.4216593E-02 Gb(Abramov) 0.4263358E+00 Vb(Abramov) -0.6329969E+00 Hb(Abramov) -0.2066611E+00 Ex_ueg -0.1146873E+00 Ec_ueg -0.1495009E-01 Delta_ex -0.1070999E+00 Delta_ec 0.1940034E-01 Delta_et -0.2697230E+00 Pxc 0.7671343E+01 Qxc -0.5520514E+01 3,-1 174 3 -1 0.051391 3.123635 3.266386 Rho 0.2469287E+00 |GRAD(Rho)| 0.1176630E-15 GRAD(Rho)x -0.3449118E-16 GRAD(Rho)y 0.1043545E-15 GRAD(Rho)z 0.4201283E-16 Laplacian 0.8735544E+00 (-1/4)Del**2(Rho)) -0.2183886E+00 Diamond 0.3221339E+01 Metallicity 0.7666713E+01 Ellipticity 0.7005274E-03 Gb(Abramov) 0.4246462E+00 Vb(Abramov) -0.6309038E+00 Hb(Abramov) -0.2062576E+00 Ex_ueg -0.1144144E+00 Ec_ueg -0.1491939E-01 Delta_ex -0.1064556E+00 Delta_ec 0.1935519E-01 Delta_et -0.2693447E+00 Pxc 0.7668836E+01 Qxc -0.5500106E+01 3,-1 175 3 +1 0.984642 -2.155996 1.509262 Rho 0.2568487E-01 |GRAD(Rho)| 0.8057936E-16 GRAD(Rho)x -0.5644879E-16 GRAD(Rho)y 0.5657299E-16 GRAD(Rho)z 0.1029872E-16 Laplacian 0.1032394E+00 (-1/4)Del**2(Rho)) -0.2580985E-01 Diamond 0.1140449E-01 Metallicity 0.1492439E+01 Ellipticity -0.1954567E+01 Gb(Abramov) 0.2362651E-01 Vb(Abramov) -0.2144316E-01 Hb(Abramov) 0.2183344E-02 Ex_ueg -0.5596996E-02 Ec_ueg -0.1123258E-02 Delta_ex -0.6194066E-02 Delta_ec 0.1263720E-02 Delta_et -0.1133269E-01 Pxc 0.4982823E+01 Qxc -0.4901455E+01 3,+1 176 3 -1 0.466448 -0.469648 0.461989 Rho 0.1855311E+00 |GRAD(Rho)| 0.4007925E-15 GRAD(Rho)x 0.2012279E-15 GRAD(Rho)y -0.2289835E-15 GRAD(Rho)z 0.2602085E-15 Laplacian 0.5030948E+00 (-1/4)Del**2(Rho)) -0.1257737E+00 Diamond 0.1343223E+01 Metallicity 0.8266554E+01 Ellipticity 0.4424723E-02 Gb(Abramov) 0.2571350E+00 Vb(Abramov) -0.3884963E+00 Hb(Abramov) -0.1313613E+00 Ex_ueg -0.7815210E-01 Ec_ueg -0.1075563E-01 Delta_ex -0.5717129E-01 Delta_ec 0.1245010E-01 Delta_et -0.1711367E+00 Pxc 0.7266155E+01 Qxc -0.4592034E+01 3,-1 177 3 -1 1.853184 -0.548510 -2.730508 Rho 0.1289810E+00 |GRAD(Rho)| 0.1100516E-13 GRAD(Rho)x -0.9662708E-14 GRAD(Rho)y -0.5581879E-15 GRAD(Rho)z 0.5237760E-14 Laplacian 0.5397343E+00 (-1/4)Del**2(Rho)) -0.1349336E+00 Diamond 0.9170899E+00 Metallicity 0.4203804E+01 Ellipticity 0.1812752E-01 Gb(Abramov) 0.1844948E+00 Vb(Abramov) -0.2340560E+00 Hb(Abramov) -0.4956120E-01 Ex_ueg -0.4813037E-01 Ec_ueg -0.7111900E-02 Delta_ex -0.5592949E-01 Delta_ec 0.1430965E-01 Delta_et -0.1863701E+00 Pxc 0.6767583E+01 Qxc -0.3908514E+01 3,-1 178 3 +1 1.064716 2.151845 -1.413275 Rho 0.2845069E-01 |GRAD(Rho)| 0.2134504E-16 GRAD(Rho)x 0.5517171E-17 GRAD(Rho)y 0.9499350E-17 GRAD(Rho)z 0.1830120E-16 Laplacian 0.1150887E+00 (-1/4)Del**2(Rho)) -0.2877217E-01 Diamond 0.1788027E-01 Metallicity 0.1587578E+01 Ellipticity -0.3738087E+01 Gb(Abramov) 0.2679446E-01 Vb(Abramov) -0.2481675E-01 Hb(Abramov) 0.1977712E-02 Ex_ueg -0.6414686E-02 Ec_ueg -0.1263972E-02 Delta_ex -0.7400762E-02 Delta_ec 0.1935646E-02 Delta_et -0.1763157E-01 Pxc 0.5075021E+01 Qxc -0.3823407E+01 3,+1 179 3 -1 2.951492 -2.012001 0.836861 Rho 0.1223805E+00 |GRAD(Rho)| 0.5531141E-12 GRAD(Rho)x 0.2557295E-12 GRAD(Rho)y 0.3167466E-12 GRAD(Rho)z 0.3744452E-12 Laplacian 0.4685922E+00 (-1/4)Del**2(Rho)) -0.1171481E+00 Diamond 0.7391444E+00 Metallicity 0.4436137E+01 Ellipticity 0.1919074E-01 Gb(Abramov) 0.1647128E+00 Vb(Abramov) -0.2122776E+00 Hb(Abramov) -0.4756479E-01 Ex_ueg -0.4487466E-01 Ec_ueg -0.6699693E-02 Delta_ex -0.4784108E-01 Delta_ec 0.1238360E-01 Delta_et -0.1595320E+00 Pxc 0.6698018E+01 Qxc -0.3863261E+01 3,-1 180 3 -1 3.105509 3.279930 0.067624 Rho 0.2568845E+00 |GRAD(Rho)| 0.7860225E-14 GRAD(Rho)x 0.1180696E-15 GRAD(Rho)y -0.6913957E-14 GRAD(Rho)z 0.3737164E-14 Laplacian 0.9315894E+00 (-1/4)Del**2(Rho)) -0.2328973E+00 Diamond 0.3559466E+01 Metallicity 0.7678653E+01 Ellipticity 0.1852976E-02 Gb(Abramov) 0.4533212E+00 Vb(Abramov) -0.6737451E+00 Hb(Abramov) -0.2204239E+00 Ex_ueg -0.1206060E+00 Ec_ueg -0.1561409E-01 Delta_ex -0.1144998E+00 Delta_ec 0.2002012E-01 Delta_et -0.2770958E+00 Pxc 0.7724176E+01 Qxc -0.5719237E+01 3,-1 181 3 -1 3.951438 -4.420660 0.200497 Rho 0.3243030E+00 |GRAD(Rho)| 0.3334481E-12 GRAD(Rho)x -0.2868143E-12 GRAD(Rho)y 0.1698413E-12 GRAD(Rho)z 0.8894873E-14 Laplacian -0.1775842E+01 (-1/4)Del**2(Rho)) 0.4439604E+00 Diamond 0.6222938E+01 Metallicity -0.5940100E+01 Ellipticity 0.1840310E-02 Gb(Abramov) 0.1435546E+00 Vb(Abramov) -0.7310697E+00 Hb(Abramov) -0.5875151E+00 Ex_ueg -0.1645582E+00 Ec_ueg -0.2046195E-01 Delta_ex 0.1780710E+00 Delta_ec 0.6142547E-01 Delta_et -0.1468083E+01 Pxc 0.8042158E+01 Qxc 0.2898977E+01 3,-1 182 3 -1 -3.991516 4.074857 -0.929909 Rho 0.3259106E+00 |GRAD(Rho)| 0.3300691E-15 GRAD(Rho)x -0.5000290E-16 GRAD(Rho)y 0.2333048E-15 GRAD(Rho)z 0.2280662E-15 Laplacian -0.1828817E+01 (-1/4)Del**2(Rho)) 0.4572043E+00 Diamond 0.6390011E+01 Metallicity -0.5815769E+01 Ellipticity 0.2431398E-02 Gb(Abramov) 0.1383629E+00 Vb(Abramov) -0.7339300E+00 Hb(Abramov) -0.5955671E+00 Ex_ueg -0.1656468E+00 Ec_ueg -0.2058063E-01 Delta_ex 0.1839391E+00 Delta_ec 0.6290017E-01 Delta_et -0.1507716E+01 Pxc 0.8048674E+01 Qxc 0.2924302E+01 3,-1 183 3 -1 -0.081260 -3.102209 3.295264 Rho 0.2459768E+00 |GRAD(Rho)| 0.2423481E-15 GRAD(Rho)x -0.8981260E-16 GRAD(Rho)y -0.2230204E-15 GRAD(Rho)z 0.3046608E-16 Laplacian 0.8703652E+00 (-1/4)Del**2(Rho)) -0.2175913E+00 Diamond 0.3193085E+01 Metallicity 0.7645429E+01 Ellipticity 0.8440725E-03 Gb(Abramov) 0.4223240E+00 Vb(Abramov) -0.6270567E+00 Hb(Abramov) -0.2047327E+00 Ex_ueg -0.1138266E+00 Ec_ueg -0.1485325E-01 Delta_ex -0.1059516E+00 Delta_ec 0.1929202E-01 Delta_et -0.2683660E+00 Pxc 0.7663416E+01 Qxc -0.5491991E+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 81 128 107 169 125 123 183 108 126 122 170 101 120 118 80 171 124 129 173 104 117 130 106 172 174 139 150 135 179 149 138 136 152 141 151 142 180 89 73 64 74 164 58 165 75 87 161 85 72 160 69 97 163 166 60 57 162 167 63 77 59 159 155 146 154 144 156 147 153 177 157 148 158 176 111 112 168 91 134 121 181 182 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 18 21 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 20 23 28 55 54 2.426101 1.845519 1.955494 1.924705 2.133335 1.707750 2.395372 1.905064 2.035277 1.911937 1.982049 1.705873 2.409998 1.918128 2.077313 1.893128 1.955275 1.705356 2.427877 1.887440 1.971461 1.921197 2.046047 1.706219 2.381404 1.969213 1.859136 1.984753 1.818034 1.857975 2.382296 1.956200 1.905849 1.981536 1.935909 1.718338 2.312007 1.933805 1.832079 1.984563 1.863424 1.848122 2.409683 1.998793 1.922301 1.982465 1.917356 1.707062 2.363117 1.933496 1.961038 1.917362 1.973349 1.717513 2.455986 1.892877 2.042676 1.903127 1.978548 1.705617 2.408005 1.911654 1.983929 1.905525 1.968134 1.717609 2.374309 1.909436 1.971934 1.912889 1.992991 1.717398 1.699987 1.689184 1.694300 1.701578 3.250853 3.250600 3.248130 0.985315 0.982335 2.427707 1.846025 1.955991 1.925650 2.133791 1.707760 2.397189 1.905659 2.035811 1.912715 1.982950 1.705883 2.411830 1.918727 2.077755 1.893854 1.956182 1.705368 2.429444 1.887945 1.971976 1.922091 2.046573 1.706228 2.383412 1.970126 1.859878 1.985911 1.819095 1.859876 2.383985 1.956542 1.906314 1.982239 1.936649 1.718343 2.313427 1.934313 1.832636 1.985338 1.864223 1.849897 2.411481 1.999412 1.922925 1.983348 1.918171 1.707073 2.364807 1.933971 1.961447 1.918075 1.974025 1.717518 2.457465 1.893460 2.043136 1.903667 1.979440 1.705629 2.409836 1.912077 1.984287 1.906025 1.968856 1.717616 2.375998 1.910020 1.972304 1.913586 1.993691 1.717405 1.699998 1.689189 1.694304 1.701606 3.259545 3.260529 3.263613 0.985617 0.982635 29 24 25 27 30 22 30 27 26 25 28 22 30 25 27 27 28 20 30 27 31 27 26 21 31 25 26 25 23 25 32 27 27 25 27 23 27 25 23 25 25 24 27 25 25 25 25 20 27 25 27 25 25 23 27 25 25 24 25 21 27 25 26 25 28 25 30 25 25 26 26 22 20 24 28 23 35 35 35 21 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 Mo Mo Mo Mo Mo W W Mo W Mo 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 As H H 2.4118 2.4161 2.4323 2.4236 2.5439 2.5323 2.6157 2.4128 2.5132 2.4142 2.5114 2.5216 -1.1247 -1.1441 -1.1438 -1.1286 -0.8901 -0.9035 -0.9316 -0.9432 -0.9065 -0.9054 -0.9145 -0.8760 -0.8858 -0.8952 -0.9175 -0.8671 -0.8912 -0.8943 -0.9296 -0.8789 -0.8973 -0.8824 -0.8720 -0.8836 -0.8642 -0.8823 -0.8293 -0.8972 -0.6281 -0.6215 -0.6217 -0.6253 -0.6452 -0.7106 -0.6606 -0.6280 -0.7036 -0.6252 -0.7060 -0.7035 2.4898 0.3040 0.3164 1.9118 1.9194 1.9336 1.9197 1.9107 2.0784 2.0725 1.9172 2.0836 1.9102 2.0833 2.0799 1.9393 1.9385 1.9366 1.9371 1.9461 1.9439 1.9395 1.9361 1.9428 1.9431 1.9407 1.9510 1.9473 1.9459 1.9397 1.9501 1.9539 1.9546 1.9522 1.9574 1.9550 1.9565 1.9552 1.9571 1.9561 1.9567 1.9661 1.9526 1.9921 1.9921 1.9924 1.9924 1.8860 1.9794 1.8791 1.9912 1.9805 1.9922 1.9807 1.9803 0.8052 0.5984 0.5878 6.0518 6.0460 6.0340 6.0467 6.0206 6.0782 6.0935 6.0465 6.0856 6.0479 6.0859 6.0789 5.1461 5.1652 5.1673 5.1519 4.9177 4.9309 4.9612 4.9765 4.9355 4.9335 4.9461 4.8965 4.9072 4.9228 4.9492 4.8891 4.9054 4.9084 4.9439 4.8897 4.9113 4.8936 4.8881 4.8945 4.8790 4.8930 4.8317 4.9135 4.5982 4.5913 4.5911 4.5949 4.7276 4.6915 4.7492 4.5989 4.6831 4.5948 4.6854 4.6832 1.1541 0.0976 0.0957 3.6246 3.6184 3.6001 3.6100 3.5249 3.2825 3.1877 3.6234 3.2890 3.6277 3.2907 3.2912 0.0393 0.0403 0.0400 0.0397 0.0263 0.0287 0.0309 0.0306 0.0282 0.0289 0.0278 0.0285 0.0313 0.0264 0.0286 0.0278 0.0319 0.0313 0.0335 0.0318 0.0310 0.0322 0.0288 0.0320 0.0292 0.0326 0.0315 0.0312 0.0378 0.0381 0.0382 0.0380 0.0316 0.0397 0.0323 0.0378 0.0400 0.0382 0.0399 0.0400 10.5509 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0287 14.0306 0.0000 14.0286 0.0000 14.0286 14.0285 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 Mo Mo Mo Mo Mo W W Mo W Mo 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 As H H 3.175414 3.181646 3.180446 3.182573 3.212439 2.526296 2.573120 3.181901 2.526483 3.179183 2.525243 2.523525 -1.164878 -1.178198 -1.139778 -1.161552 -1.150346 -1.015108 -0.919268 -0.927944 -1.048306 -1.051508 -1.051209 -1.136872 -0.974396 -1.154638 -1.035264 -1.127649 -0.982520 -0.986095 -0.888320 -0.998774 -1.008282 -1.003976 -1.109469 -0.997829 -1.101611 -0.954189 -1.052698 -0.997550 -0.888120 -0.881846 -0.883713 -0.887398 -0.625758 -0.728830 -0.488420 -0.889636 -0.719229 -0.884837 -0.721533 -0.719211 2.325776 0.176340 0.166369 2.394473 2.395456 2.381969 2.387111 2.222360 1.964669 1.866649 2.395665 1.969570 2.400554 1.971055 1.973387 -0.865368 -0.890637 -0.833856 -0.862993 -0.900568 -0.740462 -0.658301 -0.693609 -0.799695 -0.804519 -0.801386 -0.893899 -0.745668 -0.891254 -0.793551 -0.850306 -0.760647 -0.795124 -0.716309 -0.773567 -0.797989 -0.800041 -0.883539 -0.794781 -0.875171 -0.752833 -0.805245 -0.798652 -0.618821 -0.615181 -0.624511 -0.625149 -0.673007 -0.596555 -0.602783 -0.625393 -0.579637 -0.615167 -0.582167 -0.580002 1.680293 0.457619 0.457514 2.460954 2.464264 2.451026 2.453601 2.559187 2.055680 2.074411 2.470169 2.057366 2.467569 2.060645 2.059679 -0.877511 -0.898753 -0.860048 -0.880289 -0.982165 -0.851184 -0.766834 -0.775515 -0.884148 -0.878774 -0.880561 -0.957734 -0.840775 -0.969451 -0.868543 -0.957315 -0.848063 -0.835357 -0.753697 -0.821516 -0.839875 -0.827498 -0.922310 -0.831406 -0.906375 -0.797448 -0.879372 -0.834220 -0.580283 -0.574373 -0.587182 -0.585494 -0.704418 -0.563384 -0.597632 -0.586465 -0.541564 -0.573980 -0.545565 -0.546162 1.666208 0.457067 0.455414 -2.34693313 -2.20007533 -0.96240820 3.35777547 3.33067420 -67.06227551 10.00613227 32.93965908 -16.44189702 -36.27033328 -381.9276 407.7192 -121.7767 -347.0045 -2.0477 -445.0373 Jun12-2024 06:48:28 Nodes: 1 Procs: 1 Jun12-2024 06:48:30 Nodes: 1 Procs: 1 0 Jun12-2024 06:48:32 Nodes: 1 Procs: 1 Jun12-2024 06:48:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:48:37 Nodes: 1 Procs: 1 Jun12-2024 06:48:39 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:48:42 Nodes: 1 Procs: 1 Jun12-2024 06:48:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 06:48:45 Nodes: 1 Procs: 1 Jun12-2024 06:48:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 06:48:51 Nodes: 1 Procs: 5 *** (NO TITLE) *** -1 -15.77664604 -16.19417574 -16.23211264 -16.32854703 -16.34660857 -16.34975305 -16.35117174 -16.35244589 -16.35258650 -16.35270501 -16.35276386 -16.35284887 -16.35291423 -16.35298541 -16.35317639 -16.35348058 -16.35373869 -16.35411847 -16.35429422 -16.35433220 -16.35441731 -16.35444575 -16.35445747 -16.35446989 -16.35448278 -16.35450054 -16.35451445 -16.35455158 -16.35458076 -16.35461203 -16.35464969 -16.35469654 -16.35470672 -16.35472042 -16.35472296 -16.35473638 -16.35474739 -16.35477115 -16.35477931 -16.35480136 -16.35481540 -16.35482154 GEOMETRY CONVERGED