ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 2.25 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 1.68 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 Jun10-2024 17:33:35 Nodes: 1 Procs: 1 Jun10-2024 17:33:36 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.04 2.07 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 Jun10-2024 17:33:35 Nodes: 1 Procs: 1 Jun10-2024 17:33:36 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:33:39 Nodes: 1 Procs: 1 Jun10-2024 17:33:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.91 0.04 1.43 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 Jun10-2024 17:33:35 Nodes: 1 Procs: 1 Jun10-2024 17:33:36 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:33:39 Nodes: 1 Procs: 1 Jun10-2024 17:33:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:33:43 Nodes: 1 Procs: 1 Jun10-2024 17:33:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:47 Hydrogen (TZP) c1-25 c1-25 c1-25 c1-25 c1-25 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.46 0.06 3.17 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 Jun10-2024 17:33:35 Nodes: 1 Procs: 1 Jun10-2024 17:33:36 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:33:39 Nodes: 1 Procs: 1 Jun10-2024 17:33:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:33:43 Nodes: 1 Procs: 1 Jun10-2024 17:33:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 17:33:47 Nodes: 1 Procs: 1 Jun10-2024 17:33:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:33:54 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.738199999999 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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 Jun10-2024 17:33:41 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 17:33:36 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun10-2024 17:33:49 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 17:33:45 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 17:33:33 1 1 Hydrogen TZP 1 1 -15.78672823 0.29662079 0.00100000 F 0.09824209 0.00066667 F 0.29662079 0.09824209 0.23344789 0.01000000 F 0.06658523 0.00666667 F Cartesian 2193.738199999999 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3,-3 31 3 -3 3.455447 1.505286 -1.472930 Rho 0.3190250E+03 3,-3 32 3 -3 -3.436139 1.526586 1.587018 Rho 0.3190165E+03 3,-3 33 3 -3 1.429295 -1.488383 3.448787 Rho 0.3190102E+03 3,-3 34 3 -3 1.565946 1.489413 -3.430117 Rho 0.3190321E+03 3,-3 35 3 -3 -1.512218 1.565587 3.453917 Rho 0.3190221E+03 3,-3 36 3 -3 -1.820668 -1.455471 -3.765848 Rho 0.3193031E+03 3,-3 37 3 -3 -1.644874 -3.679230 -1.215405 Rho 0.3188210E+03 3,-3 38 3 -3 -1.508667 3.411190 1.508191 Rho 0.3189746E+03 3,-3 39 3 -3 1.524742 -3.445904 1.561389 Rho 0.3191060E+03 3,-3 40 3 -3 1.545767 3.365428 -1.522526 Rho 0.3190911E+03 3,-3 41 3 -3 -0.217211 -3.803462 3.746736 Rho 0.3194661E+03 3,-3 42 3 -3 3.888621 -0.070808 -3.757781 Rho 0.3193231E+03 3,-3 43 3 -3 -0.217187 3.719256 -3.716392 Rho 0.3194748E+03 3,-3 44 3 -3 0.228223 3.782783 3.725512 Rho 0.3193288E+03 3,-3 45 3 -3 3.770779 -3.753359 -0.222391 Rho 0.3194295E+03 3,-3 46 3 -3 3.770691 3.740646 0.245706 Rho 0.3194769E+03 3,-3 47 3 -3 -3.803883 3.687611 -0.202328 Rho 0.3193066E+03 3,-3 48 3 -3 -3.972016 -3.602121 0.300136 Rho 0.3194821E+03 3,-3 49 3 -3 -3.853038 0.358747 -3.631263 Rho 0.3192772E+03 3,-3 50 3 -3 -3.714834 -0.205044 3.845330 Rho 0.3194696E+03 3,-3 51 3 -3 3.676858 0.181601 3.798121 Rho 0.3193241E+03 3,-3 52 3 -3 1.132884 -1.921746 -2.446307 Rho 0.4371331E+00 3,-3 53 3 -3 -0.684529 -3.421807 -1.221018 Rho 0.4454110E+00 3,-3 54 3 +1 -1.668064 0.503927 -0.534473 Rho 0.1018110E-01 |GRAD(Rho)| 0.8163921E-12 GRAD(Rho)x 0.6761127E-12 GRAD(Rho)y -0.4314090E-12 GRAD(Rho)z 0.1524925E-12 Laplacian 0.3884365E-01 (-1/4)Del**2(Rho)) -0.9710913E-02 Diamond 0.1336109E-02 Metallicity 0.8484337E+00 Ellipticity -0.1583681E+01 Gb(Abramov) 0.7847120E-02 Vb(Abramov) -0.5983327E-02 Hb(Abramov) 0.1863793E-02 Ex_ueg -0.1629715E-02 Ec_ueg -0.3762673E-03 Delta_ex -0.1862447E-02 Delta_ec 0.5641957E-03 Delta_et -0.4012801E-02 Pxc 0.4331269E+01 Qxc -0.3301067E+01 3,+1 55 3 -1 -2.917282 0.065365 0.097544 Rho 0.6143686E-02 |GRAD(Rho)| 0.4623702E-12 GRAD(Rho)x 0.3221090E-12 GRAD(Rho)y 0.1536974E-12 GRAD(Rho)z 0.2939542E-12 Laplacian 0.2466264E-01 (-1/4)Del**2(Rho)) -0.6165659E-02 Diamond 0.8770503E-03 Metallicity 0.5758225E+00 Ellipticity 0.1585395E+01 Gb(Abramov) 0.4702160E-02 Vb(Abramov) -0.3238661E-02 Hb(Abramov) 0.1463499E-02 Ex_ueg -0.8310434E-03 Ec_ueg -0.1964575E-03 Delta_ex -0.1360157E-02 Delta_ec 0.9256065E-03 Delta_et -0.5288364E-02 Pxc 0.4230144E+01 Qxc -0.1469477E+01 3,-1 56 3 +1 -2.173552 1.056515 1.437363 Rho 0.2646785E-01 |GRAD(Rho)| 0.1197235E-14 GRAD(Rho)x 0.2586170E-15 GRAD(Rho)y -0.1145123E-14 GRAD(Rho)z 0.2349094E-15 Laplacian 0.1028569E+00 (-1/4)Del**2(Rho)) -0.2571422E-01 Diamond 0.1346524E-01 Metallicity 0.1574869E+01 Ellipticity -0.2850908E+01 Gb(Abramov) 0.2389224E-01 Vb(Abramov) -0.2207025E-01 Hb(Abramov) 0.1821987E-02 Ex_ueg -0.5825637E-02 Ec_ueg -0.1162899E-02 Delta_ex -0.6386173E-02 Delta_ec 0.1550107E-02 Delta_et -0.1391165E-01 Pxc 0.5009582E+01 Qxc -0.4119828E+01 3,+1 57 3 +1 -0.650988 -1.679862 0.520672 Rho 0.8557967E-02 |GRAD(Rho)| 0.2956012E-12 GRAD(Rho)x 0.1425238E-12 GRAD(Rho)y -0.2583189E-12 GRAD(Rho)z 0.1839574E-13 Laplacian 0.3248002E-01 (-1/4)Del**2(Rho)) -0.8120005E-02 Diamond 0.9011645E-03 Metallicity 0.7596518E+00 Ellipticity -0.1530402E+01 Gb(Abramov) 0.6441400E-02 Vb(Abramov) -0.4762794E-02 Hb(Abramov) 0.1678606E-02 Ex_ueg -0.1292843E-02 Ec_ueg -0.3030999E-03 Delta_ex -0.1499092E-02 Delta_ec 0.4876081E-03 Delta_et -0.3303717E-02 Pxc 0.4265404E+01 Qxc -0.3074380E+01 3,+1 58 3 -1 -3.258558 3.121069 -0.049158 Rho 0.2403686E+00 |GRAD(Rho)| 0.2810778E-13 GRAD(Rho)x 0.1368708E-13 GRAD(Rho)y -0.2172047E-13 GRAD(Rho)z 0.1144256E-13 Laplacian 0.8881830E+00 (-1/4)Del**2(Rho)) -0.2220458E+00 Diamond 0.3130634E+01 Metallicity 0.7209527E+01 Ellipticity 0.8724414E-02 Gb(Abramov) 0.4148380E+00 Vb(Abramov) -0.6076302E+00 Hb(Abramov) -0.1927922E+00 Ex_ueg -0.1103795E+00 Ec_ueg -0.1446459E-01 Delta_ex -0.1072663E+00 Delta_ec 0.1945603E-01 Delta_et -0.2688247E+00 Pxc 0.7631015E+01 Qxc -0.5513271E+01 3,-1 59 3 -1 -3.382784 -3.087448 0.116562 Rho 0.2339390E+00 |GRAD(Rho)| 0.2478468E-15 GRAD(Rho)x 0.5914323E-16 GRAD(Rho)y 0.1390489E-15 GRAD(Rho)z 0.1964574E-15 Laplacian 0.8568932E+00 (-1/4)Del**2(Rho)) -0.2142233E+00 Diamond 0.2940306E+01 Metallicity 0.7142620E+01 Ellipticity 0.3161458E-03 Gb(Abramov) 0.3978348E+00 Vb(Abramov) -0.5814463E+00 Hb(Abramov) -0.1836115E+00 Ex_ueg -0.1064605E+00 Ec_ueg -0.1402114E-01 Delta_ex -0.1028505E+00 Delta_ec 0.1908837E-01 Delta_et -0.2642208E+00 Pxc 0.7592857E+01 Qxc -0.5388127E+01 3,-1 60 3 +3 -1.139382 -1.110750 1.165465 Rho 0.5077960E-02 |GRAD(Rho)| 0.1450338E-11 GRAD(Rho)x 0.1450304E-11 GRAD(Rho)y -0.7425350E-14 GRAD(Rho)z -0.6424954E-14 Laplacian 0.1965633E-01 (-1/4)Del**2(Rho)) -0.4914082E-02 Diamond 0.1416614E-03 Metallicity 0.5259279E+00 Ellipticity -0.1707129E+00 Gb(Abramov) 0.3706797E-02 Vb(Abramov) -0.2499512E-02 Hb(Abramov) 0.1207285E-02 Ex_ueg -0.6446205E-03 Ec_ueg -0.1502693E-03 Delta_ex -0.6833598E-03 Delta_ec 0.8894904E-04 Delta_et -0.6992306E-03 Pxc 0.4289769E+01 Qxc -0.7682599E+01 3,+3 61 3 -1 -3.100570 -1.988269 -0.865664 Rho 0.1483625E+00 |GRAD(Rho)| 0.3031377E-13 GRAD(Rho)x 0.1616228E-13 GRAD(Rho)y 0.2536506E-13 GRAD(Rho)z -0.3784055E-14 Laplacian 0.5751139E+00 (-1/4)Del**2(Rho)) -0.1437785E+00 Diamond 0.1143175E+01 Metallicity 0.4981954E+01 Ellipticity 0.8086447E-01 Gb(Abramov) 0.2152353E+00 Vb(Abramov) -0.2866920E+00 Hb(Abramov) -0.7145679E-01 Ex_ueg -0.5800748E-01 Ec_ueg -0.8338775E-02 Delta_ex -0.6152446E-01 Delta_ec 0.1450489E-01 Delta_et -0.1925041E+00 Pxc 0.6956356E+01 Qxc -0.4241636E+01 3,-1 62 3 -1 -3.036930 1.951579 0.907902 Rho 0.1552126E+00 |GRAD(Rho)| 0.2190613E-14 GRAD(Rho)x 0.5036255E-15 GRAD(Rho)y 0.1340399E-14 GRAD(Rho)z 0.1657854E-14 Laplacian 0.5999008E+00 (-1/4)Del**2(Rho)) -0.1499752E+00 Diamond 0.1275967E+01 Metallicity 0.5149265E+01 Ellipticity 0.4533100E-01 Gb(Abramov) 0.2286938E+00 Vb(Abramov) -0.3074124E+00 Hb(Abramov) -0.7871862E-01 Ex_ueg -0.6160571E-01 Ec_ueg -0.8778025E-02 Delta_ex -0.6505720E-01 Delta_ec 0.1525054E-01 Delta_et -0.2043463E+00 Pxc 0.7018174E+01 Qxc -0.4265896E+01 3,-1 63 3 -1 -2.972613 0.848979 2.078068 Rho 0.1136048E+00 |GRAD(Rho)| 0.1115627E-14 GRAD(Rho)x 0.2645386E-15 GRAD(Rho)y -0.6341160E-15 GRAD(Rho)z 0.8789424E-15 Laplacian 0.4467014E+00 (-1/4)Del**2(Rho)) -0.1116754E+00 Diamond 0.6401827E+00 Metallicity 0.4110774E+01 Ellipticity 0.3892344E-01 Gb(Abramov) 0.1509623E+00 Vb(Abramov) -0.1902492E+00 Hb(Abramov) -0.3928690E-01 Ex_ueg -0.4063628E-01 Ec_ueg -0.6156307E-02 Delta_ex -0.4474500E-01 Delta_ec 0.1190575E-01 Delta_et -0.1512294E+00 Pxc 0.6600755E+01 Qxc -0.3758269E+01 3,-1 64 3 -1 -3.010230 -0.936244 -2.075098 Rho 0.1232727E+00 |GRAD(Rho)| 0.1567673E-12 GRAD(Rho)x -0.8794297E-13 GRAD(Rho)y 0.3769619E-13 GRAD(Rho)z 0.1241813E-12 Laplacian 0.4741579E+00 (-1/4)Del**2(Rho)) -0.1185395E+00 Diamond 0.7734639E+00 Metallicity 0.4437468E+01 Ellipticity 0.2777264E-01 Gb(Abramov) 0.1666955E+00 Vb(Abramov) -0.2148515E+00 Hb(Abramov) -0.4815603E-01 Ex_ueg -0.4531143E-01 Ec_ueg -0.6755243E-02 Delta_ex -0.4873929E-01 Delta_ec 0.1294774E-01 Delta_et -0.1677638E+00 Pxc 0.6707595E+01 Qxc -0.3764308E+01 3,-1 65 3 +1 -1.704840 -0.529382 0.541275 Rho 0.9075179E-02 |GRAD(Rho)| 0.1673722E-16 GRAD(Rho)x -0.1074730E-16 GRAD(Rho)y -0.1162766E-16 GRAD(Rho)z 0.5424703E-17 Laplacian 0.3452098E-01 (-1/4)Del**2(Rho)) -0.8630245E-02 Diamond 0.1033879E-02 Metallicity 0.7881739E+00 Ellipticity -0.1552802E+01 Gb(Abramov) 0.6887185E-02 Vb(Abramov) -0.5144126E-02 Hb(Abramov) 0.1743059E-02 Ex_ueg -0.1398058E-02 Ec_ueg -0.3262907E-03 Delta_ex -0.1615403E-02 Delta_ec 0.5155453E-03 Delta_et -0.3548928E-02 Pxc 0.4284702E+01 Qxc -0.3133387E+01 3,+1 66 3 +1 -2.902944 -0.283683 -0.277284 Rho 0.5706943E-02 |GRAD(Rho)| 0.1774734E-15 GRAD(Rho)x 0.1932667E-16 GRAD(Rho)y -0.1470059E-15 GRAD(Rho)z -0.9753239E-16 Laplacian 0.2386634E-01 (-1/4)Del**2(Rho)) -0.5966585E-02 Diamond 0.4866328E-03 Metallicity 0.5262190E+00 Ellipticity -0.1448898E+01 Gb(Abramov) 0.4501012E-02 Vb(Abramov) -0.3035438E-02 Hb(Abramov) 0.1465573E-02 Ex_ueg -0.7532222E-03 Ec_ueg -0.1774612E-03 Delta_ex -0.1078813E-02 Delta_ec 0.5037665E-03 Delta_et -0.2945046E-02 Pxc 0.4244434E+01 Qxc -0.2141495E+01 3,+1 67 3 -1 -2.856581 -1.759546 0.584506 Rho 0.1411514E+00 |GRAD(Rho)| 0.2192762E-12 GRAD(Rho)x 0.7675979E-14 GRAD(Rho)y -0.1561549E-12 GRAD(Rho)z -0.1537490E-12 Laplacian 0.5867990E+00 (-1/4)Del**2(Rho)) -0.1466997E+00 Diamond 0.1086521E+01 Metallicity 0.4493650E+01 Ellipticity 0.2445882E-01 Gb(Abramov) 0.2076694E+00 Vb(Abramov) -0.2686390E+00 Hb(Abramov) -0.6096964E-01 Ex_ueg -0.5427903E-01 Ec_ueg -0.7879506E-02 Delta_ex -0.6188168E-01 Delta_ec 0.1474899E-01 Delta_et -0.1938556E+00 Pxc 0.6888633E+01 Qxc -0.4195655E+01 3,-1 68 3 -1 -2.763082 -0.531470 1.872829 Rho 0.1200231E+00 |GRAD(Rho)| 0.3705183E-13 GRAD(Rho)x 0.9230257E-14 GRAD(Rho)y -0.3587678E-13 GRAD(Rho)z 0.7053887E-15 Laplacian 0.4923079E+00 (-1/4)Del**2(Rho)) -0.1230770E+00 Diamond 0.7585260E+00 Metallicity 0.4087752E+01 Ellipticity 0.7294854E-02 Gb(Abramov) 0.1659027E+00 Vb(Abramov) -0.2087284E+00 Hb(Abramov) -0.4282570E-01 Ex_ueg -0.4372585E-01 Ec_ueg -0.6553196E-02 Delta_ex -0.5002795E-01 Delta_ec 0.1306811E-01 Delta_et -0.1677876E+00 Pxc 0.6672447E+01 Qxc -0.3828248E+01 3,-1 69 3 -1 -1.710276 0.526194 1.779628 Rho 0.4145751E-01 |GRAD(Rho)| 0.7265063E-13 GRAD(Rho)x 0.6455780E-13 GRAD(Rho)y -0.1692130E-14 GRAD(Rho)z -0.3327974E-13 Laplacian 0.1701125E+00 (-1/4)Del**2(Rho)) -0.4252812E-01 Diamond 0.6804417E-01 Metallicity 0.2011634E+01 Ellipticity 0.9315287E-02 Gb(Abramov) 0.4261059E-01 Vb(Abramov) -0.4269305E-01 Hb(Abramov) -0.8246527E-04 Ex_ueg -0.1059716E-01 Ec_ueg -0.1948425E-02 Delta_ex -0.1342789E-01 Delta_ec 0.5194032E-02 Delta_et -0.5213554E-01 Pxc 0.5438834E+01 Qxc -0.2585254E+01 3,-1 70 3 +1 -2.263645 -1.344820 -1.182526 Rho 0.2941714E-01 |GRAD(Rho)| 0.5653205E-17 GRAD(Rho)x 0.4388348E-17 GRAD(Rho)y -0.3507885E-17 GRAD(Rho)z -0.6291854E-18 Laplacian 0.1227191E+00 (-1/4)Del**2(Rho)) -0.3067977E-01 Diamond 0.2181522E-01 Metallicity 0.1574111E+01 Ellipticity -0.7211703E+01 Gb(Abramov) 0.2850207E-01 Vb(Abramov) -0.2632437E-01 Hb(Abramov) 0.2177698E-02 Ex_ueg -0.6706857E-02 Ec_ueg -0.1313582E-02 Delta_ex -0.8124736E-02 Delta_ec 0.2352912E-02 Delta_et -0.2157217E-01 Pxc 0.5105777E+01 Qxc -0.3453056E+01 3,+1 71 3 +1 -1.280651 2.163662 1.176537 Rho 0.2897614E-01 |GRAD(Rho)| 0.2528092E-13 GRAD(Rho)x -0.2178854E-14 GRAD(Rho)y 0.2307428E-13 GRAD(Rho)z 0.1009730E-13 Laplacian 0.1177409E+00 (-1/4)Del**2(Rho)) -0.2943522E-01 Diamond 0.1994502E-01 Metallicity 0.1599878E+01 Ellipticity -0.6393331E+01 Gb(Abramov) 0.2747227E-01 Vb(Abramov) -0.2550932E-01 Hb(Abramov) 0.1962948E-02 Ex_ueg -0.6573133E-02 Ec_ueg -0.1290917E-02 Delta_ex -0.7714529E-02 Delta_ec 0.2169051E-02 Delta_et -0.1982119E-01 Pxc 0.5091832E+01 Qxc -0.3556637E+01 3,+1 72 3 +1 -2.907990 0.209890 0.255146 Rho 0.6100218E-02 |GRAD(Rho)| 0.8465447E-17 GRAD(Rho)x 0.5689152E-18 GRAD(Rho)y -0.6788631E-17 GRAD(Rho)z 0.5025398E-17 Laplacian 0.2545001E-01 (-1/4)Del**2(Rho)) -0.6362503E-02 Diamond 0.7112036E-03 Metallicity 0.5514432E+00 Ellipticity -0.2533527E+01 Gb(Abramov) 0.4826429E-02 Vb(Abramov) -0.3290354E-02 Hb(Abramov) 0.1536075E-02 Ex_ueg -0.8232130E-03 Ec_ueg -0.1945627E-03 Delta_ex -0.1269776E-02 Delta_ec 0.7195772E-03 Delta_et -0.4180106E-02 Pxc 0.4231094E+01 Qxc -0.1764613E+01 3,+1 73 3 +1 -1.310708 1.151657 2.191425 Rho 0.2627935E-01 |GRAD(Rho)| 0.1016556E-14 GRAD(Rho)x -0.4449361E-15 GRAD(Rho)y 0.8958052E-15 GRAD(Rho)z -0.1815238E-15 Laplacian 0.1039588E+00 (-1/4)Del**2(Rho)) -0.2598970E-01 Diamond 0.1506501E-01 Metallicity 0.1539724E+01 Ellipticity -0.4682383E+01 Gb(Abramov) 0.2399596E-01 Vb(Abramov) -0.2200223E-01 Hb(Abramov) 0.1993739E-02 Ex_ueg -0.5770382E-02 Ec_ueg -0.1153341E-02 Delta_ex -0.6603505E-02 Delta_ec 0.1855023E-02 Delta_et -0.1655713E-01 Pxc 0.5003189E+01 Qxc -0.3559797E+01 3,+1 74 3 -1 -2.736311 0.481114 -1.846579 Rho 0.7853142E-01 |GRAD(Rho)| 0.6075675E-14 GRAD(Rho)x 0.8826693E-15 GRAD(Rho)y -0.4029502E-14 GRAD(Rho)z -0.4460699E-14 Laplacian 0.3336845E+00 (-1/4)Del**2(Rho)) -0.8342113E-01 Diamond 0.3105750E+00 Metallicity 0.2974058E+01 Ellipticity 0.7233572E-02 Gb(Abramov) 0.9696398E-01 Vb(Abramov) -0.1105068E+00 Hb(Abramov) -0.1354284E-01 Ex_ueg -0.2483760E-01 Ec_ueg -0.4044110E-02 Delta_ex -0.3078438E-01 Delta_ec 0.9826347E-02 Delta_et -0.1159778E+00 Pxc 0.6141673E+01 Qxc -0.3132841E+01 3,-1 75 3 +1 -1.798253 -1.716624 1.805345 Rho 0.1200178E-01 |GRAD(Rho)| 0.8954642E-17 GRAD(Rho)x -0.6189619E-17 GRAD(Rho)y 0.6466456E-17 GRAD(Rho)z -0.2432505E-18 Laplacian 0.5941060E-01 (-1/4)Del**2(Rho)) -0.1485265E-01 Diamond 0.2364571E-02 Metallicity 0.7297242E+00 Ellipticity -0.1257033E+01 Gb(Abramov) 0.1170816E-01 Vb(Abramov) -0.8563663E-02 Hb(Abramov) 0.3144494E-02 Ex_ueg -0.2029455E-02 Ec_ueg -0.4596512E-03 Delta_ex -0.2915638E-02 Delta_ec 0.7626342E-03 Delta_et -0.5725236E-02 Pxc 0.4415205E+01 Qxc -0.3823115E+01 3,+1 76 3 +1 0.020628 -2.961153 0.077400 Rho 0.4438300E-02 |GRAD(Rho)| 0.4183044E-17 GRAD(Rho)x 0.3629149E-17 GRAD(Rho)y 0.6308359E-19 GRAD(Rho)z -0.2079220E-17 Laplacian 0.1754949E-01 (-1/4)Del**2(Rho)) -0.4387373E-02 Diamond 0.3427569E-03 Metallicity 0.4706627E+00 Ellipticity -0.2651801E+01 Gb(Abramov) 0.3269077E-02 Vb(Abramov) -0.2150782E-02 Hb(Abramov) 0.1118295E-02 Ex_ueg -0.5386921E-03 Ec_ueg -0.1228212E-03 Delta_ex -0.8464231E-03 Delta_ec 0.5410737E-03 Delta_et -0.2839780E-02 Pxc 0.4385986E+01 Qxc -0.1564340E+01 3,+1 77 3 -1 -2.132971 -0.899922 -3.271364 Rho 0.2338710E+00 |GRAD(Rho)| 0.1189197E-12 GRAD(Rho)x 0.9536388E-13 GRAD(Rho)y -0.6444839E-13 GRAD(Rho)z 0.2990018E-13 Laplacian 0.9000217E+00 (-1/4)Del**2(Rho)) -0.2250054E+00 Diamond 0.3044392E+01 Metallicity 0.6797053E+01 Ellipticity 0.1922335E-01 Gb(Abramov) 0.4048993E+00 Vb(Abramov) -0.5847931E+00 Hb(Abramov) -0.1798938E+00 Ex_ueg -0.1064192E+00 Ec_ueg -0.1401646E-01 Delta_ex -0.1077830E+00 Delta_ec 0.1962956E-01 Delta_et -0.2699105E+00 Pxc 0.7592448E+01 Qxc -0.5490851E+01 3,-1 78 3 +3 -2.318382 -0.025027 0.024927 Rho 0.5192667E-02 |GRAD(Rho)| 0.8863886E-17 GRAD(Rho)x 0.7441428E-17 GRAD(Rho)y -0.2855899E-17 GRAD(Rho)z 0.3877817E-17 Laplacian 0.2126549E-01 (-1/4)Del**2(Rho)) -0.5316373E-02 Diamond 0.2164982E-03 Metallicity 0.5045706E+00 Ellipticity -0.4464230E+00 Gb(Abramov) 0.3991329E-02 Vb(Abramov) -0.2666286E-02 Hb(Abramov) 0.1325043E-02 Ex_ueg -0.6641085E-03 Ec_ueg -0.1552135E-03 Delta_ex -0.7955307E-03 Delta_ec 0.1884105E-03 Delta_et -0.1228620E-02 Pxc 0.4278679E+01 Qxc -0.4222328E+01 3,+3 79 3 -1 -1.752884 -0.618780 -1.820402 Rho 0.5483654E-01 |GRAD(Rho)| 0.1116449E-15 GRAD(Rho)x -0.6245936E-16 GRAD(Rho)y 0.5433039E-16 GRAD(Rho)z -0.7491075E-16 Laplacian 0.2204843E+00 (-1/4)Del**2(Rho)) -0.5512109E-01 Diamond 0.1284128E+00 Metallicity 0.2473729E+01 Ellipticity 0.1612873E-01 Gb(Abramov) 0.5947316E-01 Vb(Abramov) -0.6382524E-01 Hb(Abramov) -0.4352076E-02 Ex_ueg -0.1538669E-01 Ec_ueg -0.2683914E-02 Delta_ex -0.1864153E-01 Delta_ec 0.6680281E-02 Delta_et -0.7219052E-01 Pxc 0.5732929E+01 Qxc -0.2790530E+01 3,-1 80 3 -1 -1.796249 -0.560334 2.850429 Rho 0.1621834E+00 |GRAD(Rho)| 0.1806285E-13 GRAD(Rho)x -0.1579165E-13 GRAD(Rho)y 0.2724600E-14 GRAD(Rho)z 0.8334675E-14 Laplacian 0.6772294E+00 (-1/4)Del**2(Rho)) -0.1693073E+00 Diamond 0.1471510E+01 Metallicity 0.4907815E+01 Ellipticity 0.4121986E-01 Gb(Abramov) 0.2513597E+00 Vb(Abramov) -0.3334122E+00 Hb(Abramov) -0.8205240E-01 Ex_ueg -0.6532213E-01 Ec_ueg -0.9227936E-02 Delta_ex -0.7382327E-01 Delta_ec 0.1627447E-01 Delta_et -0.2174119E+00 Pxc 0.7078737E+01 Qxc -0.4536140E+01 3,-1 81 3 -1 -1.774923 0.479563 -2.842507 Rho 0.1328052E+00 |GRAD(Rho)| 0.2182469E-15 GRAD(Rho)x -0.1196146E-15 GRAD(Rho)y -0.1503111E-15 GRAD(Rho)z 0.1035887E-15 Laplacian 0.5489570E+00 (-1/4)Del**2(Rho)) -0.1372392E+00 Diamond 0.9720301E+00 Metallicity 0.4339435E+01 Ellipticity 0.1575459E-01 Gb(Abramov) 0.1907496E+00 Vb(Abramov) -0.2442600E+00 Hb(Abramov) -0.5351039E-01 Ex_ueg -0.5004243E-01 Ec_ueg -0.7352060E-02 Delta_ex -0.5735664E-01 Delta_ec 0.1457738E-01 Delta_et -0.1909999E+00 Pxc 0.6806587E+01 Qxc -0.3934632E+01 3,-1 82 3 -1 -2.120054 -3.101874 -0.673789 Rho 0.1366988E+00 |GRAD(Rho)| 0.2718487E-15 GRAD(Rho)x 0.2791821E-16 GRAD(Rho)y 0.2699460E-15 GRAD(Rho)z 0.1585646E-16 Laplacian 0.5005167E+00 (-1/4)Del**2(Rho)) -0.1251292E+00 Diamond 0.9220299E+00 Metallicity 0.4994239E+01 Ellipticity 0.1287812E+00 Gb(Abramov) 0.1875736E+00 Vb(Abramov) -0.2500181E+00 Hb(Abramov) -0.6244444E-01 Ex_ueg -0.5200816E-01 Ec_ueg -0.7597564E-02 Delta_ex -0.5271192E-01 Delta_ec 0.1328928E-01 Delta_et -0.1751083E+00 Pxc 0.6845373E+01 Qxc -0.3966500E+01 3,-1 83 3 -1 -1.968014 0.876207 3.056166 Rho 0.1363273E+00 |GRAD(Rho)| 0.1361205E-15 GRAD(Rho)x -0.1344411E-15 GRAD(Rho)y 0.1992221E-17 GRAD(Rho)z 0.2122326E-16 Laplacian 0.5307745E+00 (-1/4)Del**2(Rho)) -0.1326936E+00 Diamond 0.9508864E+00 Metallicity 0.4688218E+01 Ellipticity 0.5578864E-01 Gb(Abramov) 0.1921452E+00 Vb(Abramov) -0.2515967E+00 Hb(Abramov) -0.5945156E-01 Ex_ueg -0.5181977E-01 Ec_ueg -0.7574095E-02 Delta_ex -0.5559372E-01 Delta_ec 0.1362323E-01 Delta_et -0.1784936E+00 Pxc 0.6841711E+01 Qxc -0.4080802E+01 3,-1 84 3 +3 -1.115871 1.125353 -1.134976 Rho 0.5510141E-02 |GRAD(Rho)| 0.2020310E-13 GRAD(Rho)x -0.1053301E-13 GRAD(Rho)y -0.1240562E-13 GRAD(Rho)z 0.1197170E-13 Laplacian 0.2132871E-01 (-1/4)Del**2(Rho)) -0.5332178E-02 Diamond 0.1640572E-03 Metallicity 0.5553751E+00 Ellipticity -0.2817318E+00 Gb(Abramov) 0.4048345E-02 Vb(Abramov) -0.2764512E-02 Hb(Abramov) 0.1283833E-02 Ex_ueg -0.7187900E-03 Ec_ueg -0.1689319E-03 Delta_ex -0.7521177E-03 Delta_ec 0.8505094E-04 Delta_et -0.7098819E-03 Pxc 0.4254910E+01 Qxc -0.8843144E+01 3,+3 85 3 +3 -1.972983 1.959789 1.995742 Rho 0.1232985E-01 |GRAD(Rho)| 0.3223062E-14 GRAD(Rho)x 0.1843455E-14 GRAD(Rho)y -0.1815052E-14 GRAD(Rho)z -0.1922339E-14 Laplacian 0.5721273E-01 (-1/4)Del**2(Rho)) -0.1430318E-01 Diamond 0.1631570E-02 Metallicity 0.7925925E+00 Ellipticity -0.9936772E+00 Gb(Abramov) 0.1142489E-01 Vb(Abramov) -0.8546592E-02 Hb(Abramov) 0.2878295E-02 Ex_ueg -0.2103755E-02 Ec_ueg -0.4748172E-03 Delta_ex -0.2624035E-02 Delta_ec 0.3704841E-03 Delta_et -0.3078256E-02 Pxc 0.4430664E+01 Qxc -0.7082718E+01 3,+3 86 3 +1 -1.724195 1.722898 -1.732374 Rho 0.1160713E-01 |GRAD(Rho)| 0.1363108E-16 GRAD(Rho)x 0.2264551E-17 GRAD(Rho)y -0.6084563E-17 GRAD(Rho)z -0.1198567E-16 Laplacian 0.5666786E-01 (-1/4)Del**2(Rho)) -0.1416696E-01 Diamond 0.2170468E-02 Metallicity 0.7235764E+00 Ellipticity -0.1275014E+01 Gb(Abramov) 0.1115312E-01 Vb(Abramov) -0.8139282E-02 Hb(Abramov) 0.3013841E-02 Ex_ueg -0.1940967E-02 Ec_ueg -0.4414632E-03 Delta_ex -0.2761482E-02 Delta_ec 0.7361301E-03 Delta_et -0.5474467E-02 Pxc 0.4396668E+01 Qxc -0.3751350E+01 3,+1 87 3 +3 0.036319 2.276524 -0.014437 Rho 0.4582082E-02 |GRAD(Rho)| 0.7149067E-17 GRAD(Rho)x -0.3193542E-17 GRAD(Rho)y -0.6358231E-17 GRAD(Rho)z -0.6952359E-18 Laplacian 0.1871167E-01 (-1/4)Del**2(Rho)) -0.4677918E-02 Diamond 0.1510116E-03 Metallicity 0.4655203E+00 Ellipticity -0.3091501E+00 Gb(Abramov) 0.3481556E-02 Vb(Abramov) -0.2285195E-02 Hb(Abramov) 0.1196362E-02 Ex_ueg -0.5620852E-03 Ec_ueg -0.1289726E-03 Delta_ex -0.6676118E-03 Delta_ec 0.1477171E-03 Delta_et -0.9615013E-03 Pxc 0.4358174E+01 Qxc -0.4519530E+01 3,+3 88 3 +1 -0.326445 -1.134155 -2.737558 Rho 0.3572120E-02 |GRAD(Rho)| 0.4696625E-12 GRAD(Rho)x 0.4636387E-12 GRAD(Rho)y -0.3345626E-13 GRAD(Rho)z -0.6710239E-13 Laplacian 0.1416580E-01 (-1/4)Del**2(Rho)) -0.3541450E-02 Diamond 0.1515771E-03 Metallicity 0.4060524E+00 Ellipticity -0.1352561E+01 Gb(Abramov) 0.2600636E-02 Vb(Abramov) -0.1659822E-02 Hb(Abramov) 0.9408144E-03 Ex_ueg -0.4032921E-03 Ec_ueg -0.8599250E-04 Delta_ex -0.5757831E-03 Delta_ec 0.2936251E-03 Delta_et -0.1504044E-02 Pxc 0.4689853E+01 Qxc -0.1960947E+01 3,+1 89 3 -1 -1.928035 -2.734708 0.605201 Rho 0.1012721E+00 |GRAD(Rho)| 0.2781867E-15 GRAD(Rho)x -0.2433763E-15 GRAD(Rho)y -0.1370669E-16 GRAD(Rho)z -0.1340447E-15 Laplacian 0.4128734E+00 (-1/4)Del**2(Rho)) -0.1032183E+00 Diamond 0.5185977E+00 Metallicity 0.3672369E+01 Ellipticity 0.1811732E-01 Gb(Abramov) 0.1319882E+00 Vb(Abramov) -0.1607581E+00 Hb(Abramov) -0.2876986E-01 Ex_ueg -0.3486356E-01 Ec_ueg -0.5402179E-02 Delta_ex -0.4030737E-01 Delta_ec 0.1139699E-01 Delta_et -0.1418235E+00 Pxc 0.6453612E+01 Qxc -0.3536667E+01 3,-1 90 3 -1 -1.855690 -1.725119 -0.547377 Rho 0.4558276E-01 |GRAD(Rho)| 0.1409013E-15 GRAD(Rho)x -0.1036878E-15 GRAD(Rho)y -0.8798152E-16 GRAD(Rho)z 0.3689527E-16 Laplacian 0.1859120E+00 (-1/4)Del**2(Rho)) -0.4647801E-01 Diamond 0.8497648E-01 Metallicity 0.2155956E+01 Ellipticity 0.2554399E-01 Gb(Abramov) 0.4768610E-01 Vb(Abramov) -0.4889419E-01 Hb(Abramov) -0.1208090E-02 Ex_ueg -0.1202594E-01 Ec_ueg -0.2172200E-02 Delta_ex -0.1504288E-01 Delta_ec 0.5705843E-02 Delta_et -0.5875516E-01 Pxc 0.5536296E+01 Qxc -0.2636399E+01 3,-1 91 3 -1 0.250523 -1.208819 -1.924670 Rho 0.6460887E-02 |GRAD(Rho)| 0.7866486E-17 GRAD(Rho)x -0.6761774E-17 GRAD(Rho)y 0.2936891E-17 GRAD(Rho)z 0.2744940E-17 Laplacian 0.2572035E-01 (-1/4)Del**2(Rho)) -0.6430087E-02 Diamond 0.1008497E-02 Metallicity 0.6004680E+00 Ellipticity 0.5128482E+00 Gb(Abramov) 0.4930235E-02 Vb(Abramov) -0.3430383E-02 Hb(Abramov) 0.1499852E-02 Ex_ueg -0.8887397E-03 Ec_ueg -0.2103125E-03 Delta_ex -0.1451585E-02 Delta_ec 0.1000374E-02 Delta_et -0.5792260E-02 Pxc 0.4225806E+01 Qxc -0.1451042E+01 3,-1 92 3 -1 -1.832705 2.741677 -0.533376 Rho 0.1146521E+00 |GRAD(Rho)| 0.2189824E-15 GRAD(Rho)x -0.1125808E-15 GRAD(Rho)y 0.1612412E-16 GRAD(Rho)z 0.1871333E-15 Laplacian 0.4741940E+00 (-1/4)Del**2(Rho)) -0.1185485E+00 Diamond 0.7011569E+00 Metallicity 0.3932125E+01 Ellipticity 0.1230166E-01 Gb(Abramov) 0.1567236E+00 Vb(Abramov) -0.1948987E+00 Hb(Abramov) -0.3817509E-01 Ex_ueg -0.4113655E-01 Ec_ueg -0.6220871E-02 Delta_ex -0.4780259E-01 Delta_ec 0.1296863E-01 Delta_et -0.1655559E+00 Pxc 0.6612668E+01 Qxc -0.3686016E+01 3,-1 93 3 +1 0.220128 2.949887 -0.208785 Rho 0.5620746E-02 |GRAD(Rho)| 0.3583993E-17 GRAD(Rho)x -0.8507227E-18 GRAD(Rho)y 0.7896033E-18 GRAD(Rho)z 0.3390841E-17 Laplacian 0.2362303E-01 (-1/4)Del**2(Rho)) -0.5905758E-02 Diamond 0.5868706E-03 Metallicity 0.5183234E+00 Ellipticity -0.2113103E+01 Gb(Abramov) 0.4447354E-02 Vb(Abramov) -0.2988950E-02 Hb(Abramov) 0.1458404E-02 Ex_ueg -0.7380918E-03 Ec_ueg -0.1737231E-03 Delta_ex -0.1155567E-02 Delta_ec 0.6617312E-03 Delta_et -0.3754866E-02 Pxc 0.4248668E+01 Qxc -0.1746279E+01 3,+1 94 3 +1 -0.548807 1.644726 -0.549037 Rho 0.8719990E-02 |GRAD(Rho)| 0.3011933E-17 GRAD(Rho)x -0.7176917E-18 GRAD(Rho)y 0.7168480E-18 GRAD(Rho)z -0.2835980E-17 Laplacian 0.3367928E-01 (-1/4)Del**2(Rho)) -0.8419819E-02 Diamond 0.8974810E-03 Metallicity 0.7558641E+00 Ellipticity -0.1434698E+01 Gb(Abramov) 0.6673919E-02 Vb(Abramov) -0.4928019E-02 Hb(Abramov) 0.1745900E-02 Ex_ueg -0.1325581E-02 Ec_ueg -0.3103520E-03 Delta_ex -0.1534720E-02 Delta_ec 0.4573351E-03 Delta_et -0.3150435E-02 Pxc 0.4271219E+01 Qxc -0.3355789E+01 3,+1 95 3 -1 -2.017283 2.944994 0.857085 Rho 0.1208134E+00 |GRAD(Rho)| 0.8417757E-14 GRAD(Rho)x -0.5351453E-14 GRAD(Rho)y -0.3399509E-14 GRAD(Rho)z -0.5537502E-14 Laplacian 0.4794640E+00 (-1/4)Del**2(Rho)) -0.1198660E+00 Diamond 0.7492973E+00 Metallicity 0.4243418E+01 Ellipticity 0.1741526E-01 Gb(Abramov) 0.1646843E+00 Vb(Abramov) -0.2095025E+00 Hb(Abramov) -0.4481826E-01 Ex_ueg -0.4411016E-01 Ec_ueg -0.6602266E-02 Delta_ex -0.4886184E-01 Delta_ec 0.1281932E-01 Delta_et -0.1649668E+00 Pxc 0.6681064E+01 Qxc -0.3811578E+01 3,-1 96 3 +1 -0.251711 -0.539457 -3.004907 Rho 0.3236466E-02 |GRAD(Rho)| 0.5134413E-17 GRAD(Rho)x -0.3625217E-17 GRAD(Rho)y 0.3341122E-17 GRAD(Rho)z 0.1434191E-17 Laplacian 0.1260879E-01 (-1/4)Del**2(Rho)) -0.3152197E-02 Diamond 0.1276882E-03 Metallicity 0.3870124E+00 Ellipticity -0.1293021E+01 Gb(Abramov) 0.2304788E-02 Vb(Abramov) -0.1457379E-02 Hb(Abramov) 0.8474092E-03 Ex_ueg -0.3535735E-03 Ec_ueg -0.7182849E-04 Delta_ex -0.5178564E-03 Delta_ec 0.2895774E-03 Delta_et -0.1423841E-02 Pxc 0.4922469E+01 Qxc -0.1788318E+01 3,+1 97 3 +1 -0.550533 -0.567405 1.682417 Rho 0.8031758E-02 |GRAD(Rho)| 0.8866798E-17 GRAD(Rho)x -0.9174111E-18 GRAD(Rho)y -0.2779300E-17 GRAD(Rho)z 0.8369824E-17 Laplacian 0.3128052E-01 (-1/4)Del**2(Rho)) -0.7820130E-02 Diamond 0.7771850E-03 Metallicity 0.7096162E+00 Ellipticity -0.1438761E+01 Gb(Abramov) 0.6138302E-02 Vb(Abramov) -0.4456474E-02 Hb(Abramov) 0.1681828E-02 Ex_ueg -0.1187953E-02 Ec_ueg -0.2796276E-03 Delta_ex -0.1411738E-02 Delta_ec 0.4529542E-03 Delta_et -0.3031264E-02 Pxc 0.4248340E+01 Qxc -0.3116734E+01 3,+1 98 3 +1 -0.580236 0.493685 -1.674720 Rho 0.9459176E-02 |GRAD(Rho)| 0.5237370E-13 GRAD(Rho)x 0.4083949E-13 GRAD(Rho)y 0.2733915E-13 GRAD(Rho)z -0.1810281E-13 Laplacian 0.3658704E-01 (-1/4)Del**2(Rho)) -0.9146760E-02 Diamond 0.1141336E-02 Metallicity 0.7968467E+00 Ellipticity -0.1528378E+01 Gb(Abramov) 0.7312601E-02 Vb(Abramov) -0.5478442E-02 Hb(Abramov) 0.1834159E-02 Ex_ueg -0.1477484E-02 Ec_ueg -0.3435841E-03 Delta_ex -0.1722890E-02 Delta_ec 0.5335736E-03 Delta_et -0.3722309E-02 Pxc 0.4300211E+01 Qxc -0.3228964E+01 3,+1 99 3 -1 -0.023102 -3.300744 -1.184572 Rho 0.2478563E-01 |GRAD(Rho)| 0.2154359E-16 GRAD(Rho)x -0.4573777E-17 GRAD(Rho)y -0.2006287E-16 GRAD(Rho)z -0.6378739E-17 Laplacian 0.8247098E-01 (-1/4)Del**2(Rho)) -0.2061775E-01 Diamond 0.2535002E-01 Metallicity 0.1760537E+01 Ellipticity 0.1036227E-01 Gb(Abramov) 0.1979488E-01 Vb(Abramov) -0.1897202E-01 Hb(Abramov) 0.8228637E-03 Ex_ueg -0.5337259E-02 Ec_ueg -0.1077927E-02 Delta_ex -0.6731398E-02 Delta_ec 0.4281001E-02 Delta_et -0.3702389E-01 Pxc 0.4951411E+01 Qxc -0.1572389E+01 3,-1 100 3 -1 -0.899903 -3.477324 -1.218262 Rho 0.3224585E+00 |GRAD(Rho)| 0.5647096E-15 GRAD(Rho)x -0.3995391E-15 GRAD(Rho)y 0.3412958E-15 GRAD(Rho)z -0.2068395E-15 Laplacian -0.1677323E+01 (-1/4)Del**2(Rho)) 0.4193308E+00 Diamond 0.5834112E+01 Metallicity -0.6229495E+01 Ellipticity 0.3637904E-02 Gb(Abramov) 0.1558159E+00 Vb(Abramov) -0.7309626E+00 Hb(Abramov) -0.5751467E+00 Ex_ueg -0.1633115E+00 Ec_ueg -0.2032596E-01 Delta_ex 0.1678295E+00 Delta_ec 0.5799479E-01 Delta_et -0.1382928E+01 Pxc 0.8034628E+01 Qxc 0.2893872E+01 3,-1 101 3 -1 -1.759056 1.678349 0.541909 Rho 0.5024923E-01 |GRAD(Rho)| 0.4441881E-15 GRAD(Rho)x 0.3307011E-15 GRAD(Rho)y -0.2518826E-15 GRAD(Rho)z 0.1565086E-15 Laplacian 0.2023139E+00 (-1/4)Del**2(Rho)) -0.5057847E-01 Diamond 0.1023611E+00 Metallicity 0.2330611E+01 Ellipticity 0.1524685E-01 Gb(Abramov) 0.5336544E-01 Vb(Abramov) -0.5615241E-01 Hb(Abramov) -0.2786970E-02 Ex_ueg -0.1369486E-01 Ec_ueg -0.2428655E-02 Delta_ex -0.1663559E-01 Delta_ec 0.5959671E-02 Delta_et -0.6290544E-01 Pxc 0.5638866E+01 Qxc -0.2791361E+01 3,-1 102 3 +1 0.514277 0.465948 1.638227 Rho 0.8454672E-02 |GRAD(Rho)| 0.9250557E-17 GRAD(Rho)x -0.1194002E-17 GRAD(Rho)y 0.9143762E-17 GRAD(Rho)z 0.7340202E-18 Laplacian 0.3352911E-01 (-1/4)Del**2(Rho)) -0.8382277E-02 Diamond 0.8686947E-03 Metallicity 0.7211392E+00 Ellipticity -0.1411721E+01 Gb(Abramov) 0.6595650E-02 Vb(Abramov) -0.4809022E-02 Hb(Abramov) 0.1786628E-02 Ex_ueg -0.1272079E-02 Ec_ueg -0.2984825E-03 Delta_ex -0.1521469E-02 Delta_ec 0.4652349E-03 Delta_et -0.3171317E-02 Pxc 0.4261822E+01 Qxc -0.3270324E+01 3,+1 103 3 +3 1.915232 -1.982574 1.956174 Rho 0.1191410E-01 |GRAD(Rho)| 0.1649720E-15 GRAD(Rho)x -0.1119841E-15 GRAD(Rho)y 0.8316155E-16 GRAD(Rho)z -0.8808787E-16 Laplacian 0.5460291E-01 (-1/4)Del**2(Rho)) -0.1365073E-01 Diamond 0.1486849E-02 Metallicity 0.7843310E+00 Ellipticity -0.9418937E+00 Gb(Abramov) 0.1088493E-01 Vb(Abramov) -0.8119139E-02 Hb(Abramov) 0.2765795E-02 Ex_ueg -0.2009710E-02 Ec_ueg -0.4556050E-03 Delta_ex -0.2480601E-02 Delta_ec 0.3547102E-03 Delta_et -0.2928167E-02 Pxc 0.4411079E+01 Qxc -0.6993316E+01 3,+3 104 3 -1 -0.854301 2.028243 2.999663 Rho 0.1355301E+00 |GRAD(Rho)| 0.2310491E-15 GRAD(Rho)x 0.1734046E-15 GRAD(Rho)y 0.1524930E-15 GRAD(Rho)z 0.7772374E-17 Laplacian 0.5349259E+00 (-1/4)Del**2(Rho)) -0.1337315E+00 Diamond 0.9646632E+00 Metallicity 0.4606584E+01 Ellipticity 0.3428463E-01 Gb(Abramov) 0.1918285E+00 Vb(Abramov) -0.2499256E+00 Hb(Abramov) -0.5809705E-01 Ex_ueg -0.5141612E-01 Ec_ueg -0.7523767E-02 Delta_ex -0.5609772E-01 Delta_ec 0.1401545E-01 Delta_et -0.1840026E+00 Pxc 0.6833826E+01 Qxc -0.4002564E+01 3,-1 105 3 +3 -0.113764 -2.434238 -0.091376 Rho 0.3922728E-02 |GRAD(Rho)| 0.9419898E-16 GRAD(Rho)x 0.9364308E-16 GRAD(Rho)y -0.1136184E-17 GRAD(Rho)z 0.1015527E-16 Laplacian 0.1563665E-01 (-1/4)Del**2(Rho)) -0.3909161E-02 Diamond 0.1143594E-03 Metallicity 0.4299816E+00 Ellipticity -0.2893704E+00 Gb(Abramov) 0.2886252E-02 Vb(Abramov) -0.1863343E-02 Hb(Abramov) 0.1022909E-02 Ex_ueg -0.4569156E-03 Ec_ueg -0.1008521E-03 Delta_ex -0.5514974E-03 Delta_ec 0.1513219E-03 Delta_et -0.9045148E-03 Pxc 0.4530551E+01 Qxc -0.3644532E+01 3,+3 106 3 -1 -0.227314 -1.295530 -3.383501 Rho 0.4493736E-02 |GRAD(Rho)| 0.1311535E-16 GRAD(Rho)x -0.1262479E-16 GRAD(Rho)y -0.1910541E-17 GRAD(Rho)z -0.2996168E-17 Laplacian 0.1719466E-01 (-1/4)Del**2(Rho)) -0.4298666E-02 Diamond 0.5271950E-03 Metallicity 0.4904168E+00 Ellipticity 0.1555230E+00 Gb(Abramov) 0.3217134E-02 Vb(Abramov) -0.2135601E-02 Hb(Abramov) 0.1081532E-02 Ex_ueg -0.5476820E-03 Ec_ueg -0.1251917E-03 Delta_ex -0.1030112E-02 Delta_ec 0.8851326E-03 Delta_et -0.4514791E-02 Pxc 0.4374748E+01 Qxc -0.1163794E+01 3,-1 107 3 -1 -0.559855 -1.851214 2.780937 Rho 0.9743760E-01 |GRAD(Rho)| 0.1834053E-12 GRAD(Rho)x 0.1072650E-12 GRAD(Rho)y -0.1457965E-12 GRAD(Rho)z -0.2958173E-13 Laplacian 0.3988499E+00 (-1/4)Del**2(Rho)) -0.9971246E-01 Diamond 0.4791377E+00 Metallicity 0.3564632E+01 Ellipticity 0.1204211E-01 Gb(Abramov) 0.1257147E+00 Vb(Abramov) -0.1517169E+00 Hb(Abramov) -0.2600222E-01 Ex_ueg -0.3311467E-01 Ec_ueg -0.5170094E-02 Delta_ex -0.3860640E-01 Delta_ec 0.1113416E-01 Delta_et -0.1375322E+00 Pxc 0.6405043E+01 Qxc -0.3467383E+01 3,-1 108 3 -1 -0.581510 2.772423 -1.766056 Rho 0.1529434E+00 |GRAD(Rho)| 0.1256733E-13 GRAD(Rho)x -0.1226145E-13 GRAD(Rho)y -0.2570657E-14 GRAD(Rho)z 0.9932376E-15 Laplacian 0.6365157E+00 (-1/4)Del**2(Rho)) -0.1591289E+00 Diamond 0.1291681E+01 Metallicity 0.4735385E+01 Ellipticity 0.2740077E-01 Gb(Abramov) 0.2316754E+00 Vb(Abramov) -0.3042219E+00 Hb(Abramov) -0.7254649E-01 Ex_ueg -0.6040776E-01 Ec_ueg -0.8632200E-02 Delta_ex -0.6840516E-01 Delta_ec 0.1557488E-01 Delta_et -0.2067078E+00 Pxc 0.6997957E+01 Qxc -0.4392017E+01 3,-1 109 3 +1 -0.180166 2.960843 0.183043 Rho 0.5687985E-02 |GRAD(Rho)| 0.4882897E-16 GRAD(Rho)x -0.1679704E-16 GRAD(Rho)y 0.2762042E-17 GRAD(Rho)z 0.4576569E-16 Laplacian 0.2344642E-01 (-1/4)Del**2(Rho)) -0.5861604E-02 Diamond 0.6087319E-03 Metallicity 0.5326812E+00 Ellipticity -0.2519236E+01 Gb(Abramov) 0.4428130E-02 Vb(Abramov) -0.2994657E-02 Hb(Abramov) 0.1433474E-02 Ex_ueg -0.7498878E-03 Ec_ueg -0.1766387E-03 Delta_ex -0.1162890E-02 Delta_ec 0.6803026E-03 Delta_et -0.3863329E-02 Pxc 0.4245320E+01 Qxc -0.1709372E+01 3,+1 110 3 -1 -0.855885 3.003618 1.970392 Rho 0.1528401E+00 |GRAD(Rho)| 0.1409449E-13 GRAD(Rho)x 0.6097038E-14 GRAD(Rho)y 0.5890741E-14 GRAD(Rho)z 0.1125966E-13 Laplacian 0.6001418E+00 (-1/4)Del**2(Rho)) -0.1500355E+00 Diamond 0.1243835E+01 Metallicity 0.5016738E+01 Ellipticity 0.4485508E-01 Gb(Abramov) 0.2254717E+00 Vb(Abramov) -0.3009080E+00 Hb(Abramov) -0.7543628E-01 Ex_ueg -0.6035336E-01 Ec_ueg -0.8625568E-02 Delta_ex -0.6474719E-01 Delta_ec 0.1515493E-01 Delta_et -0.2022605E+00 Pxc 0.6997030E+01 Qxc -0.4272351E+01 3,-1 111 3 -1 0.496212 1.690011 -1.717222 Rho 0.4793696E-01 |GRAD(Rho)| 0.2075578E-12 GRAD(Rho)x -0.6094404E-13 GRAD(Rho)y -0.1953794E-12 GRAD(Rho)z 0.3453897E-13 Laplacian 0.1962014E+00 (-1/4)Del**2(Rho)) -0.4905034E-01 Diamond 0.9578302E-01 Metallicity 0.2221751E+01 Ellipticity 0.1299148E-01 Gb(Abramov) 0.5086317E-01 Vb(Abramov) -0.5267599E-01 Hb(Abramov) -0.1812823E-02 Ex_ueg -0.1286113E-01 Ec_ueg -0.2301158E-02 Delta_ex -0.1606446E-01 Delta_ec 0.5999285E-02 Delta_et -0.6260455E-01 Pxc 0.5588981E+01 Qxc -0.2677729E+01 3,-1 112 3 -1 -0.012350 2.960376 0.019181 Rho 0.5736827E-02 |GRAD(Rho)| 0.9441085E-15 GRAD(Rho)x -0.6977641E-15 GRAD(Rho)y -0.1643082E-15 GRAD(Rho)z 0.6143849E-15 Laplacian 0.2294954E-01 (-1/4)Del**2(Rho)) -0.5737384E-02 Diamond 0.7585392E-03 Metallicity 0.5520250E+00 Ellipticity 0.2001589E+01 Gb(Abramov) 0.4352786E-02 Vb(Abramov) -0.2968188E-02 Hb(Abramov) 0.1384598E-02 Ex_ueg -0.7584856E-03 Ec_ueg -0.1787580E-03 Delta_ex -0.1260666E-02 Delta_ec 0.8809362E-03 Delta_et -0.4922711E-02 Pxc 0.4243087E+01 Qxc -0.1431052E+01 3,-1 113 3 +1 1.090230 1.339021 -2.197966 Rho 0.2738240E-01 |GRAD(Rho)| 0.1274650E-14 GRAD(Rho)x -0.6982121E-15 GRAD(Rho)y 0.9611887E-15 GRAD(Rho)z -0.4618971E-15 Laplacian 0.1094145E+00 (-1/4)Del**2(Rho)) -0.2735361E-01 Diamond 0.1594521E-01 Metallicity 0.1566718E+01 Ellipticity -0.3444307E+01 Gb(Abramov) 0.2537831E-01 Vb(Abramov) -0.2340301E-01 Hb(Abramov) 0.1975303E-02 Ex_ueg -0.6095561E-02 Ec_ueg -0.1209396E-02 Delta_ex -0.6946396E-02 Delta_ec 0.1809262E-02 Delta_et -0.1633532E-01 Pxc 0.5040168E+01 Qxc -0.3839352E+01 3,+1 114 3 +3 -0.254324 -0.565274 -2.834209 Rho 0.3224287E-02 |GRAD(Rho)| 0.1959301E-17 GRAD(Rho)x 0.1934456E-17 GRAD(Rho)y 0.1690705E-18 GRAD(Rho)z -0.2610663E-18 Laplacian 0.1262795E-01 (-1/4)Del**2(Rho)) -0.3156987E-02 Diamond 0.1097677E-03 Metallicity 0.3840048E+00 Ellipticity -0.5767441E+00 Gb(Abramov) 0.2306708E-02 Vb(Abramov) -0.1456428E-02 Hb(Abramov) 0.8502793E-03 Ex_ueg -0.3518007E-03 Ec_ueg -0.7131574E-04 Delta_ex -0.4891353E-03 Delta_ec 0.2380349E-03 Delta_et -0.1198687E-02 Pxc 0.4933003E+01 Qxc -0.2054889E+01 3,+3 115 3 -1 -0.563597 -0.527749 -0.532382 Rho 0.1888565E+00 |GRAD(Rho)| 0.6603059E-13 GRAD(Rho)x 0.4041906E-13 GRAD(Rho)y 0.3573877E-13 GRAD(Rho)z 0.3806677E-13 Laplacian 0.5079609E+00 (-1/4)Del**2(Rho)) -0.1269902E+00 Diamond 0.1363928E+01 Metallicity 0.8433404E+01 Ellipticity 0.2360891E-01 Gb(Abramov) 0.2631535E+00 Vb(Abramov) -0.3993167E+00 Hb(Abramov) -0.1361632E+00 Ex_ueg -0.8002538E-01 Ec_ueg -0.1097578E-01 Delta_ex -0.5782500E-01 Delta_ec 0.1223018E-01 Delta_et -0.1675604E+00 Pxc 0.7291091E+01 Qxc -0.4728057E+01 3,-1 116 3 -1 -0.509805 0.431107 0.433763 Rho 0.1769691E+00 |GRAD(Rho)| 0.8973185E-13 GRAD(Rho)x 0.3557224E-13 GRAD(Rho)y -0.6256107E-13 GRAD(Rho)z -0.5359602E-13 Laplacian 0.4637720E+00 (-1/4)Del**2(Rho)) -0.1159430E+00 Diamond 0.1168280E+01 Metallicity 0.8288409E+01 Ellipticity 0.5689146E-02 Gb(Abramov) 0.2374592E+00 Vb(Abramov) -0.3589753E+00 Hb(Abramov) -0.1215162E+00 Ex_ueg -0.7338068E-01 Ec_ueg -0.1019174E-01 Delta_ex -0.5206943E-01 Delta_ec 0.1159538E-01 Delta_et -0.1584748E+00 Pxc 0.7200016E+01 Qxc -0.4490532E+01 3,-1 117 3 -1 -0.604520 -2.805214 1.832330 Rho 0.1566144E+00 |GRAD(Rho)| 0.2342468E-14 GRAD(Rho)x -0.2097931E-16 GRAD(Rho)y -0.2295303E-14 GRAD(Rho)z 0.4672234E-15 Laplacian 0.6518466E+00 (-1/4)Del**2(Rho)) -0.1629617E+00 Diamond 0.1362742E+01 Metallicity 0.4810465E+01 Ellipticity 0.4014232E-01 Gb(Abramov) 0.2392947E+00 Vb(Abramov) -0.3156277E+00 Hb(Abramov) -0.7633300E-01 Ex_ueg -0.6234867E-01 Ec_ueg -0.8868264E-02 Delta_ex -0.7048288E-01 Delta_ec 0.1588301E-01 Delta_et -0.2114984E+00 Pxc 0.7030538E+01 Qxc -0.4437626E+01 3,-1 118 3 +1 0.529065 1.684353 0.480365 Rho 0.7633267E-02 |GRAD(Rho)| 0.7710591E-17 GRAD(Rho)x -0.4723635E-17 GRAD(Rho)y -0.2114097E-17 GRAD(Rho)z 0.5715862E-17 Laplacian 0.2980482E-01 (-1/4)Del**2(Rho)) -0.7451206E-02 Diamond 0.6785429E-03 Metallicity 0.6841911E+00 Ellipticity -0.1399220E+01 Gb(Abramov) 0.5817145E-02 Vb(Abramov) -0.4183085E-02 Hb(Abramov) 0.1634061E-02 Ex_ueg -0.1110024E-02 Ec_ueg -0.2619356E-03 Delta_ex -0.1321582E-02 Delta_ec 0.4198512E-03 Delta_et -0.2782303E-02 Pxc 0.4237774E+01 Qxc -0.3147739E+01 3,+1 119 3 -1 -0.533788 1.736065 1.710225 Rho 0.4681636E-01 |GRAD(Rho)| 0.4089653E-16 GRAD(Rho)x 0.7343352E-17 GRAD(Rho)y 0.1063450E-16 GRAD(Rho)z 0.3880089E-16 Laplacian 0.1882194E+00 (-1/4)Del**2(Rho)) -0.4705486E-01 Diamond 0.8631141E-01 Metallicity 0.2226442E+01 Ellipticity 0.3030395E-01 Gb(Abramov) 0.4883073E-01 Vb(Abramov) -0.5060660E-01 Hb(Abramov) -0.1775870E-02 Ex_ueg -0.1246183E-01 Ec_ueg -0.2239665E-02 Delta_ex -0.1519471E-01 Delta_ec 0.5532047E-02 Delta_et -0.5731760E-01 Pxc 0.5564151E+01 Qxc -0.2746670E+01 3,-1 120 3 -1 -0.573185 1.782851 -2.745625 Rho 0.1377482E+00 |GRAD(Rho)| 0.1597978E-14 GRAD(Rho)x 0.7833361E-15 GRAD(Rho)y 0.1357557E-14 GRAD(Rho)z 0.3113829E-15 Laplacian 0.5899823E+00 (-1/4)Del**2(Rho)) -0.1474956E+00 Diamond 0.1058859E+01 Metallicity 0.4291255E+01 Ellipticity 0.2387316E-01 Gb(Abramov) 0.2038206E+00 Vb(Abramov) -0.2601455E+00 Hb(Abramov) -0.5632499E-01 Ex_ueg -0.5254118E-01 Ec_ueg -0.7663899E-02 Delta_ex -0.6182474E-01 Delta_ec 0.1487861E-01 Delta_et -0.1947826E+00 Pxc 0.6855672E+01 Qxc -0.4155277E+01 3,-1 121 3 +3 1.079611 1.103274 1.038798 Rho 0.4652602E-02 |GRAD(Rho)| 0.5414172E-14 GRAD(Rho)x 0.1695415E-14 GRAD(Rho)y 0.4943034E-14 GRAD(Rho)z 0.1416066E-14 Laplacian 0.1833434E-01 (-1/4)Del**2(Rho)) -0.4583585E-02 Diamond 0.1233977E-03 Metallicity 0.4873501E+00 Ellipticity -0.2203999E+00 Gb(Abramov) 0.3428025E-02 Vb(Abramov) -0.2272465E-02 Hb(Abramov) 0.1155560E-02 Ex_ueg -0.5736490E-03 Ec_ueg -0.1319936E-03 Delta_ex -0.6284759E-03 Delta_ec 0.9423575E-04 Delta_et -0.6975640E-03 Pxc 0.4346036E+01 Qxc -0.6669188E+01 3,+3 122 3 -1 0.114382 -2.014769 -1.052442 Rho 0.8225669E-02 |GRAD(Rho)| 0.3017306E-15 GRAD(Rho)x 0.2030834E-15 GRAD(Rho)y 0.2222654E-15 GRAD(Rho)z 0.1991556E-16 Laplacian 0.3150744E-01 (-1/4)Del**2(Rho)) -0.7876860E-02 Diamond 0.1654052E-02 Metallicity 0.7330812E+00 Ellipticity 0.4868746E+00 Gb(Abramov) 0.6213637E-02 Vb(Abramov) -0.4550413E-02 Hb(Abramov) 0.1663224E-02 Ex_ueg -0.1226347E-02 Ec_ueg -0.2882628E-03 Delta_ex -0.1834708E-02 Delta_ec 0.1177910E-02 Delta_et -0.7354523E-02 Pxc 0.4254268E+01 Qxc -0.1557596E+01 3,-1 123 3 +1 0.335584 -1.603185 -1.666449 Rho 0.6036889E-02 |GRAD(Rho)| 0.1970650E-16 GRAD(Rho)x 0.1300938E-16 GRAD(Rho)y -0.1736509E-17 GRAD(Rho)z -0.1469990E-16 Laplacian 0.2364781E-01 (-1/4)Del**2(Rho)) -0.5911952E-02 Diamond 0.5715867E-03 Metallicity 0.5832358E+00 Ellipticity -0.1924624E+01 Gb(Abramov) 0.4515979E-02 Vb(Abramov) -0.3120005E-02 Hb(Abramov) 0.1395974E-02 Ex_ueg -0.8118378E-03 Ec_ueg -0.1918037E-03 Delta_ex -0.1119527E-02 Delta_ec 0.5654239E-03 Delta_et -0.3319782E-02 Pxc 0.4232650E+01 Qxc -0.1979979E+01 3,+1 124 3 +1 0.403746 -1.766623 -0.695293 Rho 0.7453379E-02 |GRAD(Rho)| 0.7244052E-17 GRAD(Rho)x 0.1617461E-17 GRAD(Rho)y 0.4766446E-17 GRAD(Rho)z 0.5209713E-17 Laplacian 0.2859678E-01 (-1/4)Del**2(Rho)) -0.7149196E-02 Diamond 0.7961461E-03 Metallicity 0.6853062E+00 Ellipticity -0.1773478E+01 Gb(Abramov) 0.5582695E-02 Vb(Abramov) -0.4016195E-02 Hb(Abramov) 0.1566501E-02 Ex_ueg -0.1075283E-02 Ec_ueg -0.2539729E-03 Delta_ex -0.1350936E-02 Delta_ec 0.5643393E-03 Delta_et -0.3580434E-02 Pxc 0.4233848E+01 Qxc -0.2393836E+01 3,+1 125 3 +1 -0.234973 -2.368188 -1.097227 Rho 0.7421058E-02 |GRAD(Rho)| 0.1908253E-16 GRAD(Rho)x -0.9878643E-17 GRAD(Rho)y -0.1597465E-16 GRAD(Rho)z -0.3371346E-17 Laplacian 0.2901759E-01 (-1/4)Del**2(Rho)) -0.7254396E-02 Diamond 0.8113251E-03 Metallicity 0.6704941E+00 Ellipticity -0.1723112E+01 Gb(Abramov) 0.5646936E-02 Vb(Abramov) -0.4039475E-02 Hb(Abramov) 0.1607461E-02 Ex_ueg -0.1069070E-02 Ec_ueg -0.2525438E-03 Delta_ex -0.1373928E-02 Delta_ec 0.5806785E-03 Delta_et -0.3674792E-02 Pxc 0.4233206E+01 Qxc -0.2366074E+01 3,+1 126 3 +1 0.129986 -0.158435 2.947608 Rho 0.5425061E-02 |GRAD(Rho)| 0.4468274E-12 GRAD(Rho)x 0.3028097E-12 GRAD(Rho)y -0.3047429E-12 GRAD(Rho)z 0.1228526E-12 Laplacian 0.2231317E-01 (-1/4)Del**2(Rho)) -0.5578293E-02 Diamond 0.5452960E-03 Metallicity 0.5172806E+00 Ellipticity -0.2398158E+01 Gb(Abramov) 0.4199786E-02 Vb(Abramov) -0.2821278E-02 Hb(Abramov) 0.1378507E-02 Ex_ueg -0.7040300E-03 Ec_ueg -0.1652505E-03 Delta_ex -0.1097629E-02 Delta_ec 0.6500078E-03 Delta_et -0.3638642E-02 Pxc 0.4260380E+01 Qxc -0.1688639E+01 3,+1 127 3 -1 -0.087026 3.166834 -3.146116 Rho 0.2329043E+00 |GRAD(Rho)| 0.3002688E-13 GRAD(Rho)x 0.4670743E-14 GRAD(Rho)y -0.2025772E-13 GRAD(Rho)z 0.2166615E-13 Laplacian 0.8484432E+00 (-1/4)Del**2(Rho)) -0.2121108E+00 Diamond 0.2898239E+01 Metallicity 0.7160657E+01 Ellipticity 0.4576558E-03 Gb(Abramov) 0.3945493E+00 Vb(Abramov) -0.5769879E+00 Hb(Abramov) -0.1824385E+00 Ex_ueg -0.1058332E+00 Ec_ueg -0.1394999E-01 Delta_ex -0.1017322E+00 Delta_ec 0.1894856E-01 Delta_et -0.2623385E+00 Pxc 0.7586613E+01 Qxc -0.5368865E+01 3,-1 128 3 -1 0.071962 3.228897 3.172681 Rho 0.2438949E+00 |GRAD(Rho)| 0.2292915E-14 GRAD(Rho)x -0.4106687E-15 GRAD(Rho)y -0.1675851E-14 GRAD(Rho)z -0.1510077E-14 Laplacian 0.8937608E+00 (-1/4)Del**2(Rho)) -0.2234402E+00 Diamond 0.3213057E+01 Metallicity 0.7340569E+01 Ellipticity 0.4370150E-02 Gb(Abramov) 0.4223231E+00 Vb(Abramov) -0.6212061E+00 Hb(Abramov) -0.1988830E+00 Ex_ueg -0.1125439E+00 Ec_ueg -0.1470877E-01 Delta_ex -0.1083890E+00 Delta_ec 0.1955867E-01 Delta_et -0.2706509E+00 Pxc 0.7651483E+01 Qxc -0.5541737E+01 3,-1 129 3 -1 0.848336 1.972361 -2.962815 Rho 0.1011783E+00 |GRAD(Rho)| 0.1208443E-15 GRAD(Rho)x 0.9752737E-16 GRAD(Rho)y 0.4996817E-16 GRAD(Rho)z 0.5094056E-16 Laplacian 0.3930174E+00 (-1/4)Del**2(Rho)) -0.9825435E-01 Diamond 0.4907308E+00 Metallicity 0.3851949E+01 Ellipticity 0.3164388E-01 Gb(Abramov) 0.1285814E+00 Vb(Abramov) -0.1589084E+00 Hb(Abramov) -0.3032701E-01 Ex_ueg -0.3482050E-01 Ec_ueg -0.5396486E-02 Delta_ex -0.3832059E-01 Delta_ec 0.1077972E-01 Delta_et -0.1340282E+00 Pxc 0.6452440E+01 Qxc -0.3554879E+01 3,-1 130 3 +1 1.682874 -0.564165 -0.553400 Rho 0.8188853E-02 |GRAD(Rho)| 0.9730750E-16 GRAD(Rho)x -0.1000477E-16 GRAD(Rho)y -0.6047514E-16 GRAD(Rho)z 0.7557388E-16 Laplacian 0.3194518E-01 (-1/4)Del**2(Rho)) -0.7986295E-02 Diamond 0.7872899E-03 Metallicity 0.7176505E+00 Ellipticity -0.1408796E+01 Gb(Abramov) 0.6279425E-02 Vb(Abramov) -0.4572554E-02 Hb(Abramov) 0.1706870E-02 Ex_ueg -0.1219034E-02 Ec_ueg -0.2866220E-03 Delta_ex -0.1435465E-02 Delta_ec 0.4388636E-03 Delta_et -0.2970791E-02 Pxc 0.4253107E+01 Qxc -0.3270868E+01 3,+1 131 3 -1 0.406799 -0.529666 0.415347 Rho 0.1812660E+00 |GRAD(Rho)| 0.7965959E-13 GRAD(Rho)x -0.4020048E-13 GRAD(Rho)y 0.4482525E-13 GRAD(Rho)z -0.5215620E-13 Laplacian 0.4811739E+00 (-1/4)Del**2(Rho)) -0.1202935E+00 Diamond 0.1249715E+01 Metallicity 0.8314543E+01 Ellipticity 0.4082921E-02 Gb(Abramov) 0.2468932E+00 Vb(Abramov) -0.3734930E+00 Hb(Abramov) -0.1265997E+00 Ex_ueg -0.7576587E-01 Ec_ueg -0.1047421E-01 Delta_ex -0.5436525E-01 Delta_ec 0.1198579E-01 Delta_et -0.1643483E+00 Pxc 0.7233564E+01 Qxc -0.4535808E+01 3,-1 132 3 +3 0.004840 -0.061535 2.293930 Rho 0.4552757E-02 |GRAD(Rho)| 0.5903762E-14 GRAD(Rho)x -0.3045406E-14 GRAD(Rho)y 0.2758189E-14 GRAD(Rho)z -0.4239376E-14 Laplacian 0.1864922E-01 (-1/4)Del**2(Rho)) -0.4662305E-02 Diamond 0.1559915E-03 Metallicity 0.4621077E+00 Ellipticity -0.3464076E+00 Gb(Abramov) 0.3467285E-02 Vb(Abramov) -0.2272264E-02 Hb(Abramov) 0.1195021E-02 Ex_ueg -0.5572939E-03 Ec_ueg -0.1277172E-03 Delta_ex -0.6714164E-03 Delta_ec 0.1599827E-03 Delta_et -0.1019049E-02 Pxc 0.4363501E+01 Qxc -0.4196808E+01 3,+3 133 3 +1 0.480380 -0.789819 -1.776369 Rho 0.5937546E-02 |GRAD(Rho)| 0.1864223E-15 GRAD(Rho)x 0.4783728E-16 GRAD(Rho)y 0.1494819E-15 GRAD(Rho)z 0.1005983E-15 Laplacian 0.2337875E-01 (-1/4)Del**2(Rho)) -0.5844687E-02 Diamond 0.5188612E-03 Metallicity 0.5738568E+00 Ellipticity -0.1715550E+01 Gb(Abramov) 0.4455460E-02 Vb(Abramov) -0.3066234E-02 Hb(Abramov) 0.1389227E-02 Ex_ueg -0.7940741E-03 Ec_ueg -0.1874797E-03 Delta_ex -0.1077935E-02 Delta_ec 0.5145434E-03 Delta_et -0.3029703E-02 Pxc 0.4235521E+01 Qxc -0.2094935E+01 3,+1 134 3 +1 1.653192 0.495361 0.516767 Rho 0.7763292E-02 |GRAD(Rho)| 0.5004762E-17 GRAD(Rho)x -0.1924482E-17 GRAD(Rho)y -0.4073346E-17 GRAD(Rho)z 0.2179877E-17 Laplacian 0.3036719E-01 (-1/4)Del**2(Rho)) -0.7591797E-02 Diamond 0.7165355E-03 Metallicity 0.6906930E+00 Ellipticity -0.1416648E+01 Gb(Abramov) 0.5935132E-02 Vb(Abramov) -0.4278466E-02 Hb(Abramov) 0.1656665E-02 Ex_ueg -0.1135306E-02 Ec_ueg -0.2677004E-03 Delta_ex -0.1356936E-02 Delta_ec 0.4361793E-03 Delta_et -0.2896159E-02 Pxc 0.4240957E+01 Qxc -0.3110959E+01 3,+1 135 3 -1 0.419838 0.405720 -0.519765 Rho 0.1813030E+00 |GRAD(Rho)| 0.2504979E-15 GRAD(Rho)x 0.1804112E-15 GRAD(Rho)y -0.1040834E-16 GRAD(Rho)z -0.1734723E-15 Laplacian 0.4822482E+00 (-1/4)Del**2(Rho)) -0.1205621E+00 Diamond 0.1249866E+01 Metallicity 0.8298840E+01 Ellipticity 0.1796221E-02 Gb(Abramov) 0.2471289E+00 Vb(Abramov) -0.3736958E+00 Hb(Abramov) -0.1265669E+00 Ex_ueg -0.7578646E-01 Ec_ueg -0.1047664E-01 Delta_ex -0.5446662E-01 Delta_ec 0.1197123E-01 Delta_et -0.1640333E+00 Pxc 0.7233850E+01 Qxc -0.4549795E+01 3,-1 136 3 -1 0.540816 1.822412 2.738576 Rho 0.1494510E+00 |GRAD(Rho)| 0.1309462E-11 GRAD(Rho)x 0.8402369E-12 GRAD(Rho)y -0.9554273E-12 GRAD(Rho)z 0.3095982E-12 Laplacian 0.6290227E+00 (-1/4)Del**2(Rho)) -0.1572557E+00 Diamond 0.1265456E+01 Metallicity 0.4610822E+01 Ellipticity 0.1125849E-01 Gb(Abramov) 0.2256834E+00 Vb(Abramov) -0.2941112E+00 Hb(Abramov) -0.6842776E-01 Ex_ueg -0.5857562E-01 Ec_ueg -0.8408381E-02 Delta_ex -0.6745366E-01 Delta_ec 0.1590893E-01 Delta_et -0.2115211E+00 Pxc 0.6966338E+01 Qxc -0.4239986E+01 3,-1 137 3 -1 0.861507 -3.053012 1.992435 Rho 0.1601347E+00 |GRAD(Rho)| 0.1995637E-15 GRAD(Rho)x 0.1014542E-15 GRAD(Rho)y 0.1384391E-15 GRAD(Rho)z -0.1018201E-15 Laplacian 0.6175259E+00 (-1/4)Del**2(Rho)) -0.1543815E+00 Diamond 0.1339524E+01 Metallicity 0.5269473E+01 Ellipticity 0.7859544E-01 Gb(Abramov) 0.2385058E+00 Vb(Abramov) -0.3226301E+00 Hb(Abramov) -0.8412433E-01 Ex_ueg -0.6422425E-01 Ec_ueg -0.9095406E-02 Delta_ex -0.6726666E-01 Delta_ec 0.1518307E-01 Delta_et -0.2033037E+00 Pxc 0.7061174E+01 Qxc -0.4430374E+01 3,-1 138 3 +1 1.391449 -2.222050 1.016194 Rho 0.2618148E-01 |GRAD(Rho)| 0.6551197E-14 GRAD(Rho)x -0.5894052E-14 GRAD(Rho)y -0.2534979E-14 GRAD(Rho)z -0.1323714E-14 Laplacian 0.1027139E+00 (-1/4)Del**2(Rho)) -0.2567846E-01 Diamond 0.1340723E-01 Metallicity 0.1548725E+01 Ellipticity -0.2847096E+01 Gb(Abramov) 0.2374712E-01 Vb(Abramov) -0.2181578E-01 Hb(Abramov) 0.1931340E-02 Ex_ueg -0.5741745E-02 Ec_ueg -0.1148382E-02 Delta_ex -0.6374869E-02 Delta_ec 0.1577339E-02 Delta_et -0.1411390E-01 Pxc 0.4999857E+01 Qxc -0.4041533E+01 3,+1 139 3 -1 0.802986 -2.024306 2.980380 Rho 0.1181993E+00 |GRAD(Rho)| 0.1595048E-15 GRAD(Rho)x 0.7299391E-16 GRAD(Rho)y -0.9703609E-16 GRAD(Rho)z -0.1034295E-15 Laplacian 0.4584611E+00 (-1/4)Del**2(Rho)) -0.1146153E+00 Diamond 0.6924242E+00 Metallicity 0.4278930E+01 Ellipticity 0.3457491E-01 Gb(Abramov) 0.1581486E+00 Vb(Abramov) -0.2016820E+00 Hb(Abramov) -0.4353337E-01 Ex_ueg -0.4284216E-01 Ec_ueg -0.6440117E-02 Delta_ex -0.4640393E-01 Delta_ec 0.1218733E-01 Delta_et -0.1560212E+00 Pxc 0.6652388E+01 Qxc -0.3807556E+01 3,-1 140 3 -1 0.508658 -1.803947 1.684396 Rho 0.4395531E-01 |GRAD(Rho)| 0.2061705E-15 GRAD(Rho)x -0.7604439E-16 GRAD(Rho)y -0.1339940E-15 GRAD(Rho)z 0.1370004E-15 Laplacian 0.1824382E+00 (-1/4)Del**2(Rho)) -0.4560956E-01 Diamond 0.7931450E-01 Metallicity 0.2067836E+01 Ellipticity 0.1255073E-01 Gb(Abramov) 0.4612523E-01 Vb(Abramov) -0.4664089E-01 Hb(Abramov) -0.5156642E-03 Ex_ueg -0.1145689E-01 Ec_ueg -0.2083576E-02 Delta_ex -0.1462639E-01 Delta_ec 0.5595662E-02 Delta_et -0.5706210E-01 Pxc 0.5498669E+01 Qxc -0.2613880E+01 3,-1 141 3 -1 0.844209 2.950886 -1.968609 Rho 0.1296245E+00 |GRAD(Rho)| 0.9525972E-12 GRAD(Rho)x 0.6941144E-12 GRAD(Rho)y 0.4103719E-12 GRAD(Rho)z 0.5071899E-12 Laplacian 0.5052269E+00 (-1/4)Del**2(Rho)) -0.1263067E+00 Diamond 0.8529993E+00 Metallicity 0.4528332E+01 Ellipticity 0.5491189E-01 Gb(Abramov) 0.1795310E+00 Vb(Abramov) -0.2327552E+00 Hb(Abramov) -0.5322424E-01 Ex_ueg -0.4845081E-01 Ec_ueg -0.7152244E-02 Delta_ex -0.5228804E-01 Delta_ec 0.1314977E-01 Delta_et -0.1709819E+00 Pxc 0.6774211E+01 Qxc -0.3976347E+01 3,-1 142 3 -1 0.560968 2.815891 1.780478 Rho 0.1424133E+00 |GRAD(Rho)| 0.3685123E-15 GRAD(Rho)x 0.2924500E-15 GRAD(Rho)y -0.1000177E-16 GRAD(Rho)z -0.2239962E-15 Laplacian 0.5944631E+00 (-1/4)Del**2(Rho)) -0.1486158E+00 Diamond 0.1136212E+01 Metallicity 0.4502006E+01 Ellipticity 0.1227178E-01 Gb(Abramov) 0.2105887E+00 Vb(Abramov) -0.2725616E+00 Hb(Abramov) -0.6197292E-01 Ex_ueg -0.5492701E-01 Ec_ueg -0.7959641E-02 Delta_ex -0.6307955E-01 Delta_ec 0.1535990E-01 Delta_et -0.2031301E+00 Pxc 0.6900689E+01 Qxc -0.4106767E+01 3,-1 143 3 +1 1.073051 -1.358016 2.158647 Rho 0.2617592E-01 |GRAD(Rho)| 0.3939305E-16 GRAD(Rho)x -0.1448808E-16 GRAD(Rho)y 0.2184692E-16 GRAD(Rho)z -0.2940442E-16 Laplacian 0.1036246E+00 (-1/4)Del**2(Rho)) -0.2590616E-01 Diamond 0.1470071E-01 Metallicity 0.1534571E+01 Ellipticity -0.4099641E+01 Gb(Abramov) 0.2389658E-01 Vb(Abramov) -0.2188699E-01 Hb(Abramov) 0.2009581E-02 Ex_ueg -0.5740121E-02 Ec_ueg -0.1148100E-02 Delta_ex -0.6551413E-02 Delta_ec 0.1806269E-02 Delta_et -0.1611436E-01 Pxc 0.4999668E+01 Qxc -0.3627042E+01 3,+1 144 3 +3 1.017222 -1.156785 -1.237841 Rho 0.4495579E-02 |GRAD(Rho)| 0.3278174E-17 GRAD(Rho)x 0.9270726E-18 GRAD(Rho)y -0.2972589E-18 GRAD(Rho)z -0.3130271E-17 Laplacian 0.1738649E-01 (-1/4)Del**2(Rho)) -0.4346621E-02 Diamond 0.1354442E-03 Metallicity 0.4853377E+00 Ellipticity -0.5152507E+00 Gb(Abramov) 0.3249344E-02 Vb(Abramov) -0.2152067E-02 Hb(Abramov) 0.1097277E-02 Ex_ueg -0.5479814E-03 Ec_ueg -0.1252705E-03 Delta_ex -0.6158827E-03 Delta_ec 0.1348028E-03 Delta_et -0.8776279E-03 Pxc 0.4374386E+01 Qxc -0.4568769E+01 3,+3 145 3 +3 2.306899 -0.013450 0.015686 Rho 0.4344159E-02 |GRAD(Rho)| 0.2783840E-17 GRAD(Rho)x -0.1597740E-17 GRAD(Rho)y 0.1689951E-17 GRAD(Rho)z 0.1530052E-17 Laplacian 0.1775686E-01 (-1/4)Del**2(Rho)) -0.4439216E-02 Diamond 0.1413536E-03 Metallicity 0.4488382E+00 Ellipticity -0.2983412E+00 Gb(Abramov) 0.3291559E-02 Vb(Abramov) -0.2143902E-02 Hb(Abramov) 0.1147657E-02 Ex_ueg -0.5235113E-03 Ec_ueg -0.1187994E-03 Delta_ex -0.6338463E-03 Delta_ec 0.1563068E-03 Delta_et -0.9787284E-03 Pxc 0.4406683E+01 Qxc -0.4055141E+01 3,+3 146 3 +1 1.409595 2.109433 -1.048656 Rho 0.2634394E-01 |GRAD(Rho)| 0.2083772E-09 GRAD(Rho)x -0.1535659E-09 GRAD(Rho)y -0.6434604E-10 GRAD(Rho)z -0.1252924E-09 Laplacian 0.1042304E+00 (-1/4)Del**2(Rho)) -0.2605761E-01 Diamond 0.1430690E-01 Metallicity 0.1542008E+01 Ellipticity -0.3341491E+01 Gb(Abramov) 0.2406858E-01 Vb(Abramov) -0.2207955E-01 Hb(Abramov) 0.1989030E-02 Ex_ueg -0.5789300E-02 Ec_ueg -0.1156615E-02 Delta_ex -0.6539137E-02 Delta_ec 0.1706424E-02 Delta_et -0.1526833E-01 Pxc 0.5005383E+01 Qxc -0.3832071E+01 3,+1 147 3 -1 1.748019 0.526008 -1.768640 Rho 0.4414807E-01 |GRAD(Rho)| 0.9676805E-16 GRAD(Rho)x 0.6531895E-16 GRAD(Rho)y -0.2878641E-16 GRAD(Rho)z -0.6533631E-16 Laplacian 0.1760689E+00 (-1/4)Del**2(Rho)) -0.4401721E-01 Diamond 0.7424249E-01 Metallicity 0.2158325E+01 Ellipticity 0.2636780E-01 Gb(Abramov) 0.4517872E-01 Vb(Abramov) -0.4634022E-01 Hb(Abramov) -0.1161504E-02 Ex_ueg -0.1152393E-01 Ec_ueg -0.2094050E-02 Delta_ex -0.1399067E-01 Delta_ec 0.5149460E-02 Delta_et -0.5252850E-01 Pxc 0.5503179E+01 Qxc -0.2716919E+01 3,-1 148 3 -1 1.187167 -2.298842 -1.992600 Rho 0.3981862E-01 |GRAD(Rho)| 0.5628636E-16 GRAD(Rho)x -0.1278010E-18 GRAD(Rho)y 0.1336821E-16 GRAD(Rho)z -0.5467567E-16 Laplacian 0.1164877E+00 (-1/4)Del**2(Rho)) -0.2912194E-01 Diamond 0.6527689E-01 Metallicity 0.2746692E+01 Ellipticity 0.1872049E-01 Gb(Abramov) 0.3274612E-01 Vb(Abramov) -0.3637031E-01 Hb(Abramov) -0.3624185E-02 Ex_ueg -0.1004230E-01 Ec_ueg -0.1860342E-02 Delta_ex -0.1033991E-01 Delta_ec 0.5764325E-02 Delta_et -0.5747296E-01 Pxc 0.5398095E+01 Qxc -0.1793776E+01 3,-1 149 3 +1 1.888749 -1.795121 -1.740661 Rho 0.1369242E-01 |GRAD(Rho)| 0.1233426E-16 GRAD(Rho)x 0.5078493E-18 GRAD(Rho)y -0.1015121E-16 GRAD(Rho)z -0.6987775E-17 Laplacian 0.6370036E-01 (-1/4)Del**2(Rho)) -0.1592509E-01 Diamond 0.3086173E-02 Metallicity 0.8477575E+00 Ellipticity -0.1394626E+01 Gb(Abramov) 0.1286683E-01 Vb(Abramov) -0.9808568E-02 Hb(Abramov) 0.3058261E-02 Ex_ueg -0.2419313E-02 Ec_ueg -0.5382500E-03 Delta_ex -0.3249129E-02 Delta_ec 0.8384585E-03 Delta_et -0.6483587E-02 Pxc 0.4494775E+01 Qxc -0.3875122E+01 3,+1 150 3 +1 1.945943 -2.011475 1.991049 Rho 0.1191620E-01 |GRAD(Rho)| 0.2239016E-16 GRAD(Rho)x 0.8935418E-17 GRAD(Rho)y -0.1955275E-16 GRAD(Rho)z -0.6258421E-17 Laplacian 0.5478278E-01 (-1/4)Del**2(Rho)) -0.1369570E-01 Diamond 0.1627956E-02 Metallicity 0.7819858E+00 Ellipticity -0.1050679E+01 Gb(Abramov) 0.1091544E-01 Vb(Abramov) -0.8135178E-02 Hb(Abramov) 0.2780259E-02 Ex_ueg -0.2010183E-02 Ec_ueg -0.4557020E-03 Delta_ex -0.2528521E-02 Delta_ec 0.4266237E-03 Delta_et -0.3412896E-02 Pxc 0.4411178E+01 Qxc -0.5926818E+01 3,+1 151 3 -1 2.802878 -1.802518 -0.623784 Rho 0.1442681E+00 |GRAD(Rho)| 0.3416361E-15 GRAD(Rho)x -0.2435389E-16 GRAD(Rho)y -0.2885740E-15 GRAD(Rho)z 0.1812379E-15 Laplacian 0.5936403E+00 (-1/4)Del**2(Rho)) -0.1484101E+00 Diamond 0.1132646E+01 Metallicity 0.4606528E+01 Ellipticity 0.1744784E-01 Gb(Abramov) 0.2128826E+00 Vb(Abramov) -0.2773551E+00 Hb(Abramov) -0.6447250E-01 Ex_ueg -0.5588289E-01 Ec_ueg -0.8077606E-02 Delta_ex -0.6298407E-01 Delta_ec 0.1491987E-01 Delta_et -0.1968867E+00 Pxc 0.6918249E+01 Qxc -0.4221490E+01 3,-1 152 3 -1 1.188999 -1.763425 -2.594372 Rho 0.3143870E+00 |GRAD(Rho)| 0.6074483E-15 GRAD(Rho)x 0.3593156E-15 GRAD(Rho)y 0.4760520E-15 GRAD(Rho)z 0.1151529E-15 Laplacian -0.1597516E+01 (-1/4)Del**2(Rho)) 0.3993790E+00 Diamond 0.5507680E+01 Metallicity -0.6270118E+01 Ellipticity 0.4020570E-02 Gb(Abramov) 0.1511062E+00 Vb(Abramov) -0.7015914E+00 Hb(Abramov) -0.5504852E+00 Ex_ueg -0.1578839E+00 Ec_ueg -0.1973311E-01 Delta_ex 0.1578269E+00 Delta_ec 0.5601563E-01 Delta_et -0.1319048E+01 Pxc 0.8000963E+01 Qxc 0.2817551E+01 3,-1 153 3 -1 1.692404 -1.762994 0.440367 Rho 0.4326973E-01 |GRAD(Rho)| 0.5117341E-16 GRAD(Rho)x 0.6074073E-17 GRAD(Rho)y -0.4288210E-16 GRAD(Rho)z -0.2725710E-16 Laplacian 0.1756847E+00 (-1/4)Del**2(Rho)) -0.4392117E-01 Diamond 0.7509346E-01 Metallicity 0.2091798E+01 Ellipticity 0.1659474E-01 Gb(Abramov) 0.4459315E-01 Vb(Abramov) -0.4526512E-01 Hb(Abramov) -0.6719759E-03 Ex_ueg -0.1121926E-01 Ec_ueg -0.2046374E-02 Delta_ex -0.1404741E-01 Delta_ec 0.5419835E-02 Delta_et -0.5504150E-01 Pxc 0.5482505E+01 Qxc -0.2591851E+01 3,-1 154 3 -1 1.818330 2.793669 0.567709 Rho 0.1324922E+00 |GRAD(Rho)| 0.2161126E-15 GRAD(Rho)x -0.1587001E-15 GRAD(Rho)y 0.2855517E-16 GRAD(Rho)z 0.1438872E-15 Laplacian 0.5568199E+00 (-1/4)Del**2(Rho)) -0.1392050E+00 Diamond 0.9599877E+00 Metallicity 0.4261366E+01 Ellipticity 0.1373050E-01 Gb(Abramov) 0.1916705E+00 Vb(Abramov) -0.2441361E+00 Hb(Abramov) -0.5246555E-01 Ex_ueg -0.4988523E-01 Ec_ueg -0.7332367E-02 Delta_ex -0.5787273E-01 Delta_ec 0.1430818E-01 Delta_et -0.1864826E+00 Pxc 0.6803429E+01 Qxc -0.4044729E+01 3,-1 155 3 +1 1.729458 1.783960 1.726902 Rho 0.1234723E-01 |GRAD(Rho)| 0.5851136E-17 GRAD(Rho)x 0.5675520E-17 GRAD(Rho)y 0.1257405E-17 GRAD(Rho)z -0.6657273E-18 Laplacian 0.6193602E-01 (-1/4)Del**2(Rho)) -0.1548400E-01 Diamond 0.2559703E-02 Metallicity 0.7338699E+00 Ellipticity -0.1252422E+01 Gb(Abramov) 0.1221654E-01 Vb(Abramov) -0.8949083E-02 Hb(Abramov) 0.3267461E-02 Ex_ueg -0.2107711E-02 Ec_ueg -0.4756220E-03 Delta_ex -0.3061574E-02 Delta_ec 0.7934412E-03 Delta_et -0.5999018E-02 Pxc 0.4431484E+01 Qxc -0.3858602E+01 3,+1 156 3 -1 1.763131 0.536404 2.757027 Rho 0.1263974E+00 |GRAD(Rho)| 0.2705073E-15 GRAD(Rho)x -0.2424954E-15 GRAD(Rho)y 0.1197366E-15 GRAD(Rho)z 0.5773377E-17 Laplacian 0.5345614E+00 (-1/4)Del**2(Rho)) -0.1336404E+00 Diamond 0.8840323E+00 Metallicity 0.4103734E+01 Ellipticity 0.1327489E-01 Gb(Abramov) 0.1804977E+00 Vb(Abramov) -0.2273550E+00 Hb(Abramov) -0.4685730E-01 Ex_ueg -0.4684925E-01 Ec_ueg -0.6950205E-02 Delta_ex -0.5509434E-01 Delta_ec 0.1418589E-01 Delta_et -0.1840398E+00 Pxc 0.6740701E+01 Qxc -0.3883741E+01 3,-1 157 3 -1 2.744778 0.533475 1.827683 Rho 0.1269385E+00 |GRAD(Rho)| 0.2034935E-15 GRAD(Rho)x 0.8336837E-16 GRAD(Rho)y 0.1087997E-15 GRAD(Rho)z -0.1504059E-15 Laplacian 0.5289514E+00 (-1/4)Del**2(Rho)) -0.1322379E+00 Diamond 0.8824131E+00 Metallicity 0.4176888E+01 Ellipticity 0.1557882E-01 Gb(Abramov) 0.1802157E+00 Vb(Abramov) -0.2281935E+00 Hb(Abramov) -0.4797782E-01 Ex_ueg -0.4711683E-01 Ec_ueg -0.6984030E-02 Delta_ex -0.5461135E-01 Delta_ec 0.1409296E-01 Delta_et -0.1830901E+00 Pxc 0.6746367E+01 Qxc -0.3875081E+01 3,-1 158 3 -1 2.043052 0.869357 -3.026962 Rho 0.1656942E+00 |GRAD(Rho)| 0.4655452E-15 GRAD(Rho)x -0.2484178E-15 GRAD(Rho)y 0.3880631E-15 GRAD(Rho)z -0.6654291E-16 Laplacian 0.6469297E+00 (-1/4)Del**2(Rho)) -0.1617324E+00 Diamond 0.1480555E+01 Metallicity 0.5324371E+01 Ellipticity 0.5881970E-01 Gb(Abramov) 0.2513422E+00 Vb(Abramov) -0.3409520E+00 Hb(Abramov) -0.8960977E-01 Ex_ueg -0.6721428E-01 Ec_ueg -0.9455626E-02 Delta_ex -0.7123323E-01 Delta_ec 0.1605605E-01 Delta_et -0.2166567E+00 Pxc 0.7108390E+01 Qxc -0.4436535E+01 3,-1 159 3 -1 1.814414 -2.834492 -0.618320 Rho 0.1992095E+00 |GRAD(Rho)| 0.2768011E-13 GRAD(Rho)x 0.2169434E-13 GRAD(Rho)y 0.6442085E-14 GRAD(Rho)z 0.1593875E-13 Laplacian 0.7618316E+00 (-1/4)Del**2(Rho)) -0.1904579E+00 Diamond 0.2135764E+01 Metallicity 0.6146168E+01 Ellipticity 0.5958348E-02 Gb(Abramov) 0.3220696E+00 Vb(Abramov) -0.4536813E+00 Hb(Abramov) -0.1316117E+00 Ex_ueg -0.8592744E-01 Ec_ueg -0.1166513E-01 Delta_ex -0.8759840E-01 Delta_ec 0.1752914E-01 Delta_et -0.2394645E+00 Pxc 0.7366176E+01 Qxc -0.4997301E+01 3,-1 160 3 -1 1.988722 -3.005591 0.804927 Rho 0.9774447E-01 |GRAD(Rho)| 0.1391596E-13 GRAD(Rho)x 0.7384850E-14 GRAD(Rho)y 0.3810652E-14 GRAD(Rho)z -0.1116230E-13 Laplacian 0.3759195E+00 (-1/4)Del**2(Rho)) -0.9397987E-01 Diamond 0.4560494E+00 Metallicity 0.3801940E+01 Ellipticity 0.2123026E-01 Gb(Abramov) 0.1222042E+00 Vb(Abramov) -0.1504286E+00 Hb(Abramov) -0.2822435E-01 Ex_ueg -0.3325380E-01 Ec_ueg -0.5188623E-02 Delta_ex -0.3646180E-01 Delta_ec 0.1057310E-01 Delta_et -0.1307862E+00 Pxc 0.6408983E+01 Qxc -0.3448545E+01 3,-1 161 3 +1 2.029554 1.978072 -1.998792 Rho 0.1205958E-01 |GRAD(Rho)| 0.1487941E-16 GRAD(Rho)x -0.5250049E-17 GRAD(Rho)y 0.9375608E-17 GRAD(Rho)z 0.1029232E-16 Laplacian 0.5662251E-01 (-1/4)Del**2(Rho)) -0.1415563E-01 Diamond 0.1778101E-02 Metallicity 0.7718108E+00 Ellipticity -0.1095828E+01 Gb(Abramov) 0.1125800E-01 Vb(Abramov) -0.8360365E-02 Hb(Abramov) 0.2897632E-02 Ex_ueg -0.2042496E-02 Ec_ueg -0.4623200E-03 Delta_ex -0.2641558E-02 Delta_ec 0.4754903E-03 Delta_et -0.3768573E-02 Pxc 0.4417927E+01 Qxc -0.5555439E+01 3,+1 162 3 -1 1.731751 1.698098 -0.531509 Rho 0.3722386E-01 |GRAD(Rho)| 0.5834673E-16 GRAD(Rho)x 0.3259404E-16 GRAD(Rho)y 0.4529445E-16 GRAD(Rho)z 0.1704061E-16 Laplacian 0.1522491E+00 (-1/4)Del**2(Rho)) -0.3806228E-01 Diamond 0.5232362E-01 Metallicity 0.1878282E+01 Ellipticity 0.1750459E-01 Gb(Abramov) 0.3729013E-01 Vb(Abramov) -0.3651799E-01 Hb(Abramov) 0.7721441E-03 Ex_ueg -0.9179386E-02 Ec_ueg -0.1721899E-02 Delta_ex -0.1168550E-01 Delta_ec 0.4619700E-02 Delta_et -0.4503124E-01 Pxc 0.5330966E+01 Qxc -0.2529493E+01 3,-1 163 3 -1 2.018081 2.954898 -0.834997 Rho 0.1293330E+00 |GRAD(Rho)| 0.1076719E-13 GRAD(Rho)x 0.6676768E-14 GRAD(Rho)y -0.3201249E-14 GRAD(Rho)z 0.7816976E-14 Laplacian 0.5025081E+00 (-1/4)Del**2(Rho)) -0.1256270E+00 Diamond 0.8463004E+00 Metallicity 0.4535786E+01 Ellipticity 0.4598799E-01 Gb(Abramov) 0.1787209E+00 Vb(Abramov) -0.2318148E+00 Hb(Abramov) -0.5309387E-01 Ex_ueg -0.4830562E-01 Ec_ueg -0.7133969E-02 Delta_ex -0.5198061E-01 Delta_ec 0.1309003E-01 Delta_et -0.1701510E+00 Pxc 0.6771212E+01 Qxc -0.3971009E+01 3,-1 164 3 +1 2.144862 -1.449229 1.006981 Rho 0.2596644E-01 |GRAD(Rho)| 0.3865433E-16 GRAD(Rho)x 0.5058240E-17 GRAD(Rho)y -0.1277338E-16 GRAD(Rho)z -0.3613049E-16 Laplacian 0.1008858E+00 (-1/4)Del**2(Rho)) -0.2522146E-01 Diamond 0.1245025E-01 Metallicity 0.1555263E+01 Ellipticity -0.2514672E+01 Gb(Abramov) 0.2335197E-01 Vb(Abramov) -0.2148249E-01 Hb(Abramov) 0.1869488E-02 Ex_ueg -0.5678954E-02 Ec_ueg -0.1137495E-02 Delta_ex -0.6188615E-02 Delta_ec 0.1444313E-02 Delta_et -0.1292244E-01 Pxc 0.4992508E+01 Qxc -0.4284816E+01 3,+1 165 3 +3 1.955020 1.906502 -1.925737 Rho 0.1203330E-01 |GRAD(Rho)| 0.1377864E-11 GRAD(Rho)x -0.1254313E-11 GRAD(Rho)y 0.4190140E-12 GRAD(Rho)z -0.3868260E-12 Laplacian 0.5596102E-01 (-1/4)Del**2(Rho)) -0.1399025E-01 Diamond 0.1431508E-02 Metallicity 0.7781006E+00 Ellipticity -0.8693395E+00 Gb(Abramov) 0.1114114E-01 Vb(Abramov) -0.8292027E-02 Hb(Abramov) 0.2849114E-02 Ex_ueg -0.2036565E-02 Ec_ueg -0.4611067E-03 Delta_ex -0.2516829E-02 Delta_ec 0.3051701E-03 Delta_et -0.2613023E-02 Pxc 0.4416689E+01 Qxc -0.8247298E+01 3,+3 166 3 -1 2.772863 1.806423 0.593380 Rho 0.1420935E+00 |GRAD(Rho)| 0.3170148E-15 GRAD(Rho)x -0.6373754E-16 GRAD(Rho)y 0.1370974E-15 GRAD(Rho)z -0.2786400E-15 Laplacian 0.5996757E+00 (-1/4)Del**2(Rho)) -0.1499189E+00 Diamond 0.1118034E+01 Metallicity 0.4446178E+01 Ellipticity 0.2429188E-01 Gb(Abramov) 0.2110403E+00 Vb(Abramov) -0.2721617E+00 Hb(Abramov) -0.6112139E-01 Ex_ueg -0.5476257E-01 Ec_ueg -0.7939318E-02 Delta_ex -0.6332959E-01 Delta_ec 0.1502423E-01 Delta_et -0.1976095E+00 Pxc 0.6897642E+01 Qxc -0.4215164E+01 3,-1 167 3 -1 1.683267 -0.589423 1.709758 Rho 0.4391974E-01 |GRAD(Rho)| 0.5318495E-16 GRAD(Rho)x -0.4037467E-16 GRAD(Rho)y -0.1711769E-16 GRAD(Rho)z -0.3009169E-16 Laplacian 0.1750378E+00 (-1/4)Del**2(Rho)) -0.4375945E-01 Diamond 0.7312840E-01 Metallicity 0.2152357E+01 Ellipticity 0.2643994E-01 Gb(Abramov) 0.4487063E-01 Vb(Abramov) -0.4598180E-01 Hb(Abramov) -0.1111175E-02 Ex_ueg -0.1144453E-01 Ec_ueg -0.2081644E-02 Delta_ex -0.1388245E-01 Delta_ec 0.5104796E-02 Delta_et -0.5199874E-01 Pxc 0.5497835E+01 Qxc -0.2719492E+01 3,-1 168 3 -1 1.921992 -0.875306 3.017511 Rho 0.1531317E+00 |GRAD(Rho)| 0.4844924E-15 GRAD(Rho)x -0.2957975E-15 GRAD(Rho)y -0.3230380E-15 GRAD(Rho)z 0.2070826E-15 Laplacian 0.5982912E+00 (-1/4)Del**2(Rho)) -0.1495728E+00 Diamond 0.1248844E+01 Metallicity 0.5048269E+01 Ellipticity 0.4591719E-01 Gb(Abramov) 0.2255625E+00 Vb(Abramov) -0.3015521E+00 Hb(Abramov) -0.7598968E-01 Ex_ueg -0.6050695E-01 Ec_ueg -0.8644289E-02 Delta_ex -0.6463603E-01 Delta_ec 0.1520486E-01 Delta_et -0.2032261E+00 Pxc 0.6999644E+01 Qxc -0.4251012E+01 3,-1 169 3 -1 1.958520 -0.585273 -2.841464 Rho 0.1525738E+00 |GRAD(Rho)| 0.5663258E-12 GRAD(Rho)x 0.3707245E-12 GRAD(Rho)y 0.4251879E-12 GRAD(Rho)z 0.5003475E-13 Laplacian 0.5878814E+00 (-1/4)Del**2(Rho)) -0.1469703E+00 Diamond 0.1238716E+01 Metallicity 0.5106499E+01 Ellipticity 0.1133247E+00 Gb(Abramov) 0.2230642E+00 Vb(Abramov) -0.2991581E+00 Hb(Abramov) -0.7609386E-01 Ex_ueg -0.6021317E-01 Ec_ueg -0.8608475E-02 Delta_ex -0.6361963E-01 Delta_ec 0.1524892E-01 Delta_et -0.2044055E+00 Pxc 0.6994639E+01 Qxc -0.4172076E+01 3,-1 170 3 +1 2.962763 0.158246 -0.125829 Rho 0.5246221E-02 |GRAD(Rho)| 0.6103288E-17 GRAD(Rho)x 0.9592301E-18 GRAD(Rho)y -0.2492479E-17 GRAD(Rho)z -0.5487946E-17 Laplacian 0.2170722E-01 (-1/4)Del**2(Rho)) -0.5426805E-02 Diamond 0.5446479E-03 Metallicity 0.5028285E+00 Ellipticity -0.3203762E+01 Gb(Abramov) 0.4072662E-02 Vb(Abramov) -0.2718519E-02 Hb(Abramov) 0.1354143E-02 Ex_ueg -0.6732564E-03 Ec_ueg -0.1575240E-03 Delta_ex -0.1093392E-02 Delta_ec 0.6907544E-03 Delta_et -0.3802998E-02 Pxc 0.4273992E+01 Qxc -0.1582896E+01 3,+1 171 3 +1 2.955303 -0.159772 0.188004 Rho 0.5226153E-02 |GRAD(Rho)| 0.4203076E-16 GRAD(Rho)x 0.2285173E-17 GRAD(Rho)y -0.2227818E-16 GRAD(Rho)z 0.3556747E-16 Laplacian 0.2146544E-01 (-1/4)Del**2(Rho)) -0.5366359E-02 Diamond 0.5182804E-03 Metallicity 0.5052546E+00 Ellipticity -0.2721266E+01 Gb(Abramov) 0.4029469E-02 Vb(Abramov) -0.2692579E-02 Hb(Abramov) 0.1336890E-02 Ex_ueg -0.6698247E-03 Ec_ueg -0.1566580E-03 Delta_ex -0.1065064E-02 Delta_ec 0.6556585E-03 Delta_et -0.3616529E-02 Pxc 0.4275713E+01 Qxc -0.1624419E+01 3,+1 172 3 -1 3.140299 0.016335 3.230493 Rho 0.2433299E+00 |GRAD(Rho)| 0.6158568E-15 GRAD(Rho)x -0.5564126E-15 GRAD(Rho)y -0.1959966E-15 GRAD(Rho)z -0.1768334E-15 Laplacian 0.8890730E+00 (-1/4)Del**2(Rho)) -0.2222683E+00 Diamond 0.3191484E+01 Metallicity 0.7350804E+01 Ellipticity 0.3977645E-02 Gb(Abramov) 0.4204872E+00 Vb(Abramov) -0.6187062E+00 Hb(Abramov) -0.1982190E+00 Ex_ueg -0.1121964E+00 Ec_ueg -0.1466960E-01 Delta_ex -0.1077769E+00 Delta_ec 0.1950870E-01 Delta_et -0.2701186E+00 Pxc 0.7648225E+01 Qxc -0.5524558E+01 3,-1 173 3 -1 3.045044 0.871965 -1.988289 Rho 0.1410307E+00 |GRAD(Rho)| 0.2787109E-13 GRAD(Rho)x -0.1016011E-13 GRAD(Rho)y -0.1933950E-13 GRAD(Rho)z -0.1730762E-13 Laplacian 0.5652985E+00 (-1/4)Del**2(Rho)) -0.1413246E+00 Diamond 0.1068850E+01 Metallicity 0.4657911E+01 Ellipticity 0.3223173E-01 Gb(Abramov) 0.2039293E+00 Vb(Abramov) -0.2665341E+00 Hb(Abramov) -0.6260472E-01 Ex_ueg -0.5421712E-01 Ec_ueg -0.7871843E-02 Delta_ex -0.5985289E-01 Delta_ec 0.1465985E-01 Delta_et -0.1936280E+00 Pxc 0.6887475E+01 Qxc -0.4082777E+01 3,-1 174 3 -1 2.959748 0.019865 0.011905 Rho 0.5267415E-02 |GRAD(Rho)| 0.1219297E-15 GRAD(Rho)x -0.2230992E-16 GRAD(Rho)y -0.1195039E-15 GRAD(Rho)z 0.9377786E-17 Laplacian 0.2118290E-01 (-1/4)Del**2(Rho)) -0.5295726E-02 Diamond 0.6201207E-03 Metallicity 0.5187486E+00 Ellipticity 0.3294797E+01 Gb(Abramov) 0.3988342E-02 Vb(Abramov) -0.2680959E-02 Hb(Abramov) 0.1307384E-02 Ex_ueg -0.6768853E-03 Ec_ueg -0.1584388E-03 Delta_ex -0.1142087E-02 Delta_ec 0.8066744E-03 Delta_et -0.4393855E-02 Pxc 0.4272218E+01 Qxc -0.1415797E+01 3,-1 175 3 +1 2.166407 1.340434 -1.075019 Rho 0.2530242E-01 |GRAD(Rho)| 0.3875595E-15 GRAD(Rho)x 0.1847303E-15 GRAD(Rho)y 0.2919444E-15 GRAD(Rho)z 0.1756289E-15 Laplacian 0.1000284E+00 (-1/4)Del**2(Rho)) -0.2500711E-01 Diamond 0.1338213E-01 Metallicity 0.1502310E+01 Ellipticity -0.3659824E+01 Gb(Abramov) 0.2293281E-01 Vb(Abramov) -0.2085852E-01 Hb(Abramov) 0.2074296E-02 Ex_ueg -0.5486150E-02 Ec_ueg -0.1103952E-02 Delta_ex -0.6249920E-02 Delta_ec 0.1712893E-02 Delta_et -0.1516106E-01 Pxc 0.4969553E+01 Qxc -0.3648750E+01 3,+1 176 3 -1 3.186899 -3.201311 -0.132947 Rho 0.2278484E+00 |GRAD(Rho)| 0.2690359E-14 GRAD(Rho)x -0.1644464E-14 GRAD(Rho)y 0.2109641E-14 GRAD(Rho)z 0.2884249E-15 Laplacian 0.8277093E+00 (-1/4)Del**2(Rho)) -0.2069273E+00 Diamond 0.2756133E+01 Metallicity 0.7076395E+01 Ellipticity 0.9953249E-02 Gb(Abramov) 0.3820015E+00 Vb(Abramov) -0.5570756E+00 Hb(Abramov) -0.1750741E+00 Ex_ueg -0.1027811E+00 Ec_ueg -0.1360316E-01 Delta_ex -0.9869545E-01 Delta_ec 0.1862826E-01 Delta_et -0.2577464E+00 Pxc 0.7555678E+01 Qxc -0.5298158E+01 3,-1 177 3 -1 2.948378 -1.994905 0.807037 Rho 0.8958618E-01 |GRAD(Rho)| 0.3179774E-13 GRAD(Rho)x -0.1777540E-13 GRAD(Rho)y -0.1283611E-13 GRAD(Rho)z -0.2302966E-13 Laplacian 0.3544561E+00 (-1/4)Del**2(Rho)) -0.8861404E-01 Diamond 0.3824268E+00 Metallicity 0.3487003E+01 Ellipticity 0.3379147E-02 Gb(Abramov) 0.1105756E+00 Vb(Abramov) -0.1325372E+00 Hb(Abramov) -0.2196156E-01 Ex_ueg -0.2960555E-01 Ec_ueg -0.4698663E-02 Delta_ex -0.3360459E-01 Delta_ec 0.9995478E-02 Delta_et -0.1212665E+00 Pxc 0.6300845E+01 Qxc -0.3361979E+01 3,-1 178 3 -1 3.018158 1.980915 -0.811735 Rho 0.1314607E+00 |GRAD(Rho)| 0.3789973E-14 GRAD(Rho)x 0.8099668E-16 GRAD(Rho)y 0.2437300E-14 GRAD(Rho)z 0.2901189E-14 Laplacian 0.5182779E+00 (-1/4)Del**2(Rho)) -0.1295695E+00 Diamond 0.8899731E+00 Metallicity 0.4519015E+01 Ellipticity 0.4494979E-01 Gb(Abramov) 0.1839674E+00 Vb(Abramov) -0.2383653E+00 Hb(Abramov) -0.5439790E-01 Ex_ueg -0.4936809E-01 Ec_ueg -0.7267518E-02 Delta_ex -0.5382173E-01 Delta_ec 0.1344446E-01 Delta_et -0.1752074E+00 Pxc 0.6792979E+01 Qxc -0.4003265E+01 3,-1 179 3 -1 3.213884 3.181408 0.097364 Rho 0.2346071E+00 |GRAD(Rho)| 0.2761781E-15 GRAD(Rho)x -0.1357963E-15 GRAD(Rho)y 0.2404218E-15 GRAD(Rho)z 0.5570089E-17 Laplacian 0.8369280E+00 (-1/4)Del**2(Rho)) -0.2092320E+00 Diamond 0.2897959E+01 Metallicity 0.7347853E+01 Ellipticity 0.2530368E-02 Gb(Abramov) 0.3957223E+00 Vb(Abramov) -0.5822126E+00 Hb(Abramov) -0.1864903E+00 Ex_ueg -0.1068661E+00 Ec_ueg -0.1406712E-01 Delta_ex -0.1006182E+00 Delta_ec 0.1878761E-01 Delta_et -0.2607719E+00 Pxc 0.7596874E+01 Qxc -0.5355561E+01 3,-1 180 3 -1 2.958625 -0.881811 2.019805 Rho 0.1749264E+00 |GRAD(Rho)| 0.2030828E-15 GRAD(Rho)x 0.1565317E-15 GRAD(Rho)y -0.4079311E-16 GRAD(Rho)z 0.1227859E-15 Laplacian 0.6820125E+00 (-1/4)Del**2(Rho)) -0.1705031E+00 Diamond 0.1660491E+01 Metallicity 0.5528152E+01 Ellipticity 0.5410519E-01 Gb(Abramov) 0.2707633E+00 Vb(Abramov) -0.3710234E+00 Hb(Abramov) -0.1002601E+00 Ex_ueg -0.7225352E-01 Ec_ueg -0.1005783E-01 Delta_ex -0.7607646E-01 Delta_ec 0.1661375E-01 Delta_et -0.2253855E+00 Pxc 0.7183809E+01 Qxc -0.4579126E+01 3,-1 181 3 -1 2.847486 -0.524893 -1.826617 Rho 0.1211075E+00 |GRAD(Rho)| 0.2764167E-13 GRAD(Rho)x -0.8645869E-14 GRAD(Rho)y 0.1612921E-13 GRAD(Rho)z -0.2071616E-13 Laplacian 0.4946966E+00 (-1/4)Del**2(Rho)) -0.1236742E+00 Diamond 0.7774520E+00 Metallicity 0.4129453E+01 Ellipticity 0.1969825E-01 Gb(Abramov) 0.1675672E+00 Vb(Abramov) -0.2114603E+00 Hb(Abramov) -0.4389305E-01 Ex_ueg -0.4425337E-01 Ec_ueg -0.6620536E-02 Delta_ex -0.5047110E-01 Delta_ec 0.1326842E-01 Delta_et -0.1709004E+00 Pxc 0.6684259E+01 Qxc -0.3803850E+01 3,-1 182 3 -1 -3.233105 0.079979 -3.199802 Rho 0.2353333E+00 |GRAD(Rho)| 0.1921495E-15 GRAD(Rho)x -0.4965646E-16 GRAD(Rho)y 0.1585375E-15 GRAD(Rho)z 0.9654820E-16 Laplacian 0.8750745E+00 (-1/4)Del**2(Rho)) -0.2187686E+00 Diamond 0.3012196E+01 Metallicity 0.7063833E+01 Ellipticity 0.2205493E-01 Gb(Abramov) 0.4034033E+00 Vb(Abramov) -0.5880379E+00 Hb(Abramov) -0.1846346E+00 Ex_ueg -0.1073074E+00 Ec_ueg -0.1411711E-01 Delta_ex -0.1051297E+00 Delta_ec 0.1934192E-01 Delta_et -0.2672892E+00 Pxc 0.7601226E+01 Qxc -0.5435326E+01 3,-1 183 3 -1 -3.149770 -0.061543 3.291591 Rho 0.2334121E+00 |GRAD(Rho)| 0.8114771E-14 GRAD(Rho)x 0.7322430E-14 GRAD(Rho)y -0.3234378E-14 GRAD(Rho)z -0.1330533E-14 Laplacian 0.8398403E+00 (-1/4)Del**2(Rho)) -0.2099601E+00 Diamond 0.2884347E+01 Metallicity 0.7260313E+01 Ellipticity 0.3552889E-02 Gb(Abramov) 0.3940360E+00 Vb(Abramov) -0.5781120E+00 Hb(Abramov) -0.1840759E+00 Ex_ueg -0.1061409E+00 Ec_ueg -0.1398490E-01 Delta_ex -0.1008018E+00 Delta_ec 0.1882307E-01 Delta_et -0.2609596E+00 Pxc 0.7589681E+01 Qxc -0.5355226E+01 3,-1 184 3 -1 -2.791826 1.746758 -0.526301 Rho 0.1882216E+00 |GRAD(Rho)| 0.3832438E-13 GRAD(Rho)x 0.1843388E-14 GRAD(Rho)y 0.2749851E-13 GRAD(Rho)z 0.2663066E-13 Laplacian 0.7736924E+00 (-1/4)Del**2(Rho)) -0.1934231E+00 Diamond 0.2028468E+01 Metallicity 0.5505885E+01 Ellipticity 0.1738523E-01 Gb(Abramov) 0.3064430E+00 Vb(Abramov) -0.4194628E+00 Hb(Abramov) -0.1130199E+00 Ex_ueg -0.7966683E-01 Ec_ueg -0.1093369E-01 Delta_ex -0.8770151E-01 Delta_ec 0.1811157E-01 Delta_et -0.2463767E+00 Pxc 0.7286361E+01 Qxc -0.4842293E+01 3,-1 185 3 +1 -1.977343 1.964557 2.000117 Rho 0.1232985E-01 |GRAD(Rho)| 0.1275358E-15 GRAD(Rho)x 0.7648508E-16 GRAD(Rho)y -0.6578964E-16 GRAD(Rho)z -0.7802017E-16 Laplacian 0.5725354E-01 (-1/4)Del**2(Rho)) -0.1431338E-01 Diamond 0.1653352E-02 Metallicity 0.7920281E+00 Ellipticity -0.1006205E+01 Gb(Abramov) 0.1143169E-01 Vb(Abramov) -0.8549996E-02 Hb(Abramov) 0.2881694E-02 Ex_ueg -0.2103757E-02 Ec_ueg -0.4748175E-03 Delta_ex -0.2631653E-02 Delta_ec 0.3810081E-03 Delta_et -0.3150125E-02 Pxc 0.4430664E+01 Qxc -0.6907079E+01 3,+1 186 3 -1 -0.063644 -3.266145 3.167178 Rho 0.2323910E+00 |GRAD(Rho)| 0.3619543E-15 GRAD(Rho)x 0.1320152E-15 GRAD(Rho)y -0.1837181E-15 GRAD(Rho)z -0.2825431E-15 Laplacian 0.8422624E+00 (-1/4)Del**2(Rho)) -0.2105656E+00 Diamond 0.2872007E+01 Metallicity 0.7186728E+01 Ellipticity 0.3296317E-02 Gb(Abramov) 0.3925900E+00 Vb(Abramov) -0.5746144E+00 Hb(Abramov) -0.1820244E+00 Ex_ueg -0.1055223E+00 Ec_ueg -0.1391471E-01 Delta_ex -0.1009471E+00 Delta_ec 0.1884754E-01 Delta_et -0.2610204E+00 Pxc 0.7583504E+01 Qxc -0.5355984E+01 3,-1 187 3 -1 3.303004 0.035258 -3.226027 Rho 0.2435623E+00 |GRAD(Rho)| 0.1646630E-13 GRAD(Rho)x 0.1238311E-13 GRAD(Rho)y -0.1071455E-13 GRAD(Rho)z 0.1730929E-14 Laplacian 0.8891699E+00 (-1/4)Del**2(Rho)) -0.2222925E+00 Diamond 0.3193503E+01 Metallicity 0.7361708E+01 Ellipticity 0.2740725E-02 Gb(Abramov) 0.4209370E+00 Vb(Abramov) -0.6195816E+00 Hb(Abramov) -0.1986445E+00 Ex_ueg -0.1123393E+00 Ec_ueg -0.1468571E-01 Delta_ex -0.1078052E+00 Delta_ec 0.1948662E-01 Delta_et -0.2697363E+00 Pxc 0.7649566E+01 Qxc -0.5532266E+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 80 140 107 117 139 137 186 131 115 135 116 111 120 108 129 141 127 119 136 142 104 110 128 153 151 159 177 160 176 162 166 154 178 163 179 101 184 92 62 95 58 90 67 89 61 82 59 79 74 81 64 77 182 69 68 80 63 83 183 167 157 156 180 168 172 147 181 169 173 158 187 91 122 55 174 106 152 112 148 99 100 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 18 21 21 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 20 36 52 27 52 53 53 2.402916 2.064029 1.870875 1.996485 1.874597 1.728729 1.710189 1.691683 1.709939 1.720243 2.370232 1.919602 1.881244 2.060564 1.959992 1.727947 2.394912 1.914680 1.933381 1.963909 1.917847 1.737403 2.412461 1.905238 1.788985 2.110884 2.074542 1.736791 2.474500 1.909187 1.937677 1.951957 1.961402 1.725477 2.369008 1.827489 2.019373 1.911893 2.010971 1.742858 2.388430 1.912195 2.048199 1.903634 1.947015 1.725735 2.324992 2.172151 1.958858 2.001591 1.752796 1.751057 2.430767 1.980059 1.858007 2.012709 1.938098 1.727282 2.423009 1.978552 1.979852 1.865220 1.915920 1.738314 2.420009 1.999651 1.920736 1.946768 1.885591 1.737954 3.223354 3.072097 3.191835 3.270312 3.275098 0.999318 3.223330 1.748202 1.925237 0.994264 2.404763 2.064539 1.871604 1.997382 1.875225 1.728749 1.710203 1.691745 1.709957 1.720252 2.371848 1.920116 1.881831 2.061343 1.960781 1.727968 2.396878 1.915106 1.933818 1.964484 1.918460 1.737412 2.413969 1.905722 1.789183 2.111721 2.075250 1.736822 2.476154 1.909744 1.938239 1.952767 1.962186 1.725492 2.370504 1.827785 2.019668 1.912398 2.011581 1.742872 2.390702 1.913012 2.048747 1.904423 1.948557 1.725763 2.327299 2.172468 1.959316 2.002246 1.752812 1.751078 2.432209 1.980677 1.858659 2.013659 1.938856 1.727298 2.424837 1.978993 1.980239 1.865676 1.916506 1.738325 2.421676 2.000147 1.922315 1.947376 1.886109 1.737960 3.285238 3.077227 3.202377 3.275089 3.280240 0.999430 3.228838 1.755242 1.926235 0.994395 29 29 26 28 25 23 22 24 25 22 30 27 27 27 26 24 31 28 26 27 27 25 29 25 24 29 27 24 29 26 27 27 25 24 30 23 29 26 30 24 30 27 27 26 26 23 30 28 27 28 24 24 30 28 26 28 28 25 27 26 25 24 26 24 29 28 28 28 27 23 35 33 35 35 35 22 35 24 27 23 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 Mo As Mo W Mo Mo 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 H H 2.3386 2.4323 2.3596 2.4808 2.2691 2.3404 2.4573 2.3358 2.3782 2.3572 2.4525 2.4372 -1.1218 -1.0354 -1.1193 -1.1246 -0.9008 -0.9396 -0.9270 -0.9231 -0.7603 -0.9591 -0.9404 -0.8859 -0.9129 -0.8996 -0.9277 -0.8294 -0.9322 -0.9317 -0.9254 -0.9372 -0.9335 -0.9279 -0.9298 -0.7831 -0.7504 -0.9661 -0.9015 -0.9036 -0.7091 -0.7834 -0.7031 -0.7846 -0.7296 -0.7037 -0.7987 -0.6978 -0.8120 -0.7085 -0.7872 0.2884 0.3198 1.9299 0.8306 1.9364 2.0855 1.9752 1.9435 2.0920 1.9707 2.1276 1.9380 2.0939 2.0975 1.9376 1.9491 1.9372 1.9328 1.9417 1.9376 1.9425 1.9380 1.8774 1.9336 1.9365 1.9458 1.9407 1.9436 1.9368 1.9738 1.9482 1.9467 1.9464 1.9455 1.9456 1.9477 1.9465 1.9620 1.8822 1.9449 1.9503 1.9476 1.9772 1.9652 1.9785 1.9665 1.9747 1.9790 1.9642 1.9784 1.9604 1.9780 1.9662 0.5555 0.5447 6.0741 1.1833 6.0715 6.0893 6.0964 6.0781 6.0895 6.0680 6.1008 6.0623 6.0974 6.1104 5.1472 5.0494 5.1454 5.1549 4.9331 4.9744 4.9541 4.9574 4.8513 4.9964 4.9763 4.9131 4.9439 4.9290 4.9625 4.8251 4.9545 4.9548 4.9490 4.9618 4.9578 4.9506 4.9529 4.7874 4.8387 4.9903 4.9231 4.9289 4.6983 4.7825 4.6910 4.7823 4.7228 4.6906 4.7996 4.6855 4.8180 4.6968 4.7853 0.1562 0.1354 3.6574 10.5537 3.6326 3.3149 3.6594 3.6380 3.3319 3.6255 3.3651 3.6425 3.3271 3.3260 0.0370 0.0369 0.0368 0.0368 0.0261 0.0276 0.0304 0.0277 0.0315 0.0291 0.0276 0.0270 0.0283 0.0270 0.0285 0.0305 0.0295 0.0302 0.0300 0.0299 0.0301 0.0296 0.0304 0.0337 0.0295 0.0309 0.0281 0.0272 0.0336 0.0357 0.0337 0.0358 0.0322 0.0341 0.0349 0.0340 0.0337 0.0337 0.0357 0.0000 0.0000 0.0000 0.0000 0.0000 14.0295 0.0000 0.0000 14.0293 0.0000 14.0284 0.0000 14.0291 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Mo As Mo W Mo Mo 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 H H 3.170190 2.313066 3.174448 2.513963 3.146297 3.178930 2.498912 3.182675 2.491687 3.171278 2.508381 2.510715 -1.174535 -1.070507 -1.172786 -1.137848 -1.181928 -1.088954 -0.945696 -1.077070 -0.612658 -0.960466 -1.078781 -1.162205 -1.080962 -1.167242 -1.071655 -0.925325 -1.018640 -1.058763 -1.049173 -1.039600 -1.041268 -1.015854 -1.055078 -0.828502 -0.698687 -0.945927 -1.151305 -1.154000 -0.977777 -0.820457 -0.972071 -0.816881 -1.004906 -0.972042 -0.835462 -0.963365 -0.853331 -0.976932 -0.820036 0.051552 0.066578 2.377412 1.692826 2.367841 1.947258 2.334459 2.367741 1.940656 2.364927 1.949463 2.373261 1.950530 1.957267 -0.857576 -0.769547 -0.852530 -0.805727 -0.911541 -0.839745 -0.730923 -0.821634 -0.738269 -0.718106 -0.808067 -0.916941 -0.829504 -0.912718 -0.814044 -0.733258 -0.854573 -0.841083 -0.840440 -0.856889 -0.847930 -0.833496 -0.851818 -0.722531 -0.832888 -0.775990 -0.935349 -0.934805 -0.740330 -0.695342 -0.741948 -0.708062 -0.775753 -0.742775 -0.724432 -0.715482 -0.752628 -0.744356 -0.707273 0.288503 0.324162 2.460435 1.667113 2.453624 2.046358 2.408646 2.455009 2.034196 2.500088 2.029474 2.457914 2.048676 2.055406 -0.868773 -0.825232 -0.873962 -0.845550 -0.996819 -0.922448 -0.802866 -0.899742 -0.784388 -0.803221 -0.897644 -0.978061 -0.897569 -1.035481 -0.892136 -0.839363 -0.893370 -0.881812 -0.888745 -0.896171 -0.882741 -0.882159 -0.887955 -0.712077 -0.894895 -0.807865 -0.978471 -0.981924 -0.702233 -0.672231 -0.700729 -0.671696 -0.737918 -0.700208 -0.691018 -0.701817 -0.735033 -0.706965 -0.672075 0.368827 0.457598 1.95262334 -2.53272995 1.01783899 3.35610714 -15.87255978 8.51938999 -12.85034846 17.71205608 5.32111598 -1.83949630 -352.7988 408.6386 -106.7168 -364.7680 -29.4929 -445.1379 Jun10-2024 17:33:30 Nodes: 1 Procs: 1 Jun10-2024 17:33:33 Nodes: 1 Procs: 1 0 Jun10-2024 17:33:35 Nodes: 1 Procs: 1 Jun10-2024 17:33:36 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:33:39 Nodes: 1 Procs: 1 Jun10-2024 17:33:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:33:43 Nodes: 1 Procs: 1 Jun10-2024 17:33:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 17:33:47 Nodes: 1 Procs: 1 Jun10-2024 17:33:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 17:33:54 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.78672823 -16.18580746 -15.95499223 -16.12455333 -16.27210259 -16.30338225 -16.33550652 -16.33839450 -16.33997369 -16.34279774 -16.34395094 -16.34414656 -16.34846953 -16.34268431 -16.35100519 -16.35350536 -16.34850499 -16.35261139 -16.35534668 -16.35546370 -16.35662080 -16.35699194 -16.35751722 -16.35760533 -16.35772142 -16.35776675 -16.35784725 -16.35793424 -16.35802315 -16.35815297 -16.35823560 -16.35829849 -16.35840063 -16.35845179 -16.35847676 -16.35849218 -16.35850360 -16.35851539 -16.35851848 GEOMETRY CONVERGED