ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.95 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 1.83 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.57 0.07 2.10 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.61 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:51 Hydrogen (TZP) c5-7 c5-7 c5-7 c5-7 c5-7 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.31 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:16 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2457.438200000003 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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 15:28:33 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 15:28:20 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun10-2024 15:28:57 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 15:28:45 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:12 1 1 Hydrogen TZP 1 1 -15.96486792 0.30508948 0.00100000 F 0.10090443 0.00066667 F 0.30508948 0.10090443 0.24629982 0.01000000 F 0.06909122 0.00666667 F Cartesian 2457.438200000003 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3.762438 0.234859 -3.775677 3.723658 -0.199662 -3.913383 -3.620250 0.280984 -3.896526 0.364062 -3.634702 -3.728537 -0.202530 3.810735 3.722552 0.192502 3.790073 1.131024 -1.940001 -2.433132 -0.645205 -3.441017 -1.276957 1 3 -3 0.084003 -2.589394 2.535630 Rho 0.1240648E+06 3,-3 2 3 -3 -2.545561 -0.243597 -2.723442 Rho 0.1240647E+06 3,-3 3 3 -3 2.552469 -0.161643 2.569702 Rho 0.1240649E+06 3,-3 4 3 -3 -0.085546 -0.080354 -0.056844 Rho 0.4276084E+05 3,-3 5 3 -3 0.082435 2.497957 -2.510443 Rho 0.4361414E+07 3,-3 6 3 -3 -0.108076 2.562456 2.549887 Rho 0.4361414E+07 3,-3 7 3 -3 2.468548 -2.586869 0.007950 Rho 0.4361414E+07 3,-3 8 3 -3 2.553063 2.542526 -0.069360 Rho 0.4361414E+07 3,-3 9 3 -3 -2.588715 2.483157 0.094809 Rho 0.4361414E+07 3,-3 10 3 -3 -2.646725 -2.502207 -0.115594 Rho 0.4361414E+07 3,-3 11 3 -3 -2.522788 0.125293 2.605637 Rho 0.4361414E+07 3,-3 12 3 -3 2.616058 0.120561 -2.560431 Rho 0.4361414E+07 3,-3 13 3 -3 0.939402 -1.029563 0.921080 Rho 0.3190287E+03 3,-3 14 3 -3 -1.083434 -1.038969 -1.024703 Rho 0.3190901E+03 3,-3 15 3 -3 0.937644 0.928130 -0.990046 Rho 0.3190100E+03 3,-3 16 3 -3 -0.984743 0.952169 0.981953 Rho 0.3190018E+03 3,-3 17 3 -3 -3.006740 -1.111476 1.176320 Rho 0.3188679E+03 3,-3 18 3 -3 3.059912 -1.132977 -1.126467 Rho 0.3188490E+03 3,-3 19 3 -3 -3.010552 1.160662 -1.076133 Rho 0.3190484E+03 3,-3 20 3 -3 3.006855 1.179174 1.174257 Rho 0.3189296E+03 3,-3 21 3 -3 1.347731 -1.214597 -3.094416 Rho 0.3187285E+03 3,-3 22 3 -3 1.131448 1.166694 2.972936 Rho 0.3189380E+03 3,-3 23 3 -3 -1.157720 1.129443 -2.998422 Rho 0.3188955E+03 3,-3 24 3 -3 -1.159533 -1.125046 3.050628 Rho 0.3189391E+03 3,-3 25 3 -3 -1.134163 3.013943 -1.128930 Rho 0.3188626E+03 3,-3 26 3 -3 -1.212104 -2.977141 1.219008 Rho 0.3189766E+03 3,-3 27 3 -3 1.151594 3.045290 1.147462 Rho 0.3188684E+03 3,-3 28 3 -3 1.196183 -3.077381 -1.164608 Rho 0.3191640E+03 3,-3 29 3 -3 3.383251 -1.491117 1.551672 Rho 0.3191058E+03 3,-3 30 3 -3 -3.489328 -1.569769 -1.539805 Rho 0.3189896E+03 3,-3 31 3 -3 3.430187 1.517304 -1.467394 Rho 0.3189577E+03 3,-3 32 3 -3 -3.418040 1.531893 1.592683 Rho 0.3189515E+03 3,-3 33 3 -3 1.462451 -1.489962 3.443739 Rho 0.3190846E+03 3,-3 34 3 -3 1.539865 1.471799 -3.406449 Rho 0.3189585E+03 3,-3 35 3 -3 -1.502646 1.533824 3.462140 Rho 0.3189518E+03 3,-3 36 3 -3 -1.857427 -1.435947 -3.788892 Rho 0.3194524E+03 3,-3 37 3 -3 -1.613293 -3.675846 -1.254608 Rho 0.3187385E+03 3,-3 38 3 -3 -1.493213 3.397085 1.530581 Rho 0.3189735E+03 3,-3 39 3 -3 1.523036 -3.416712 1.554636 Rho 0.3190285E+03 3,-3 40 3 -3 1.521852 3.366257 -1.514859 Rho 0.3189583E+03 3,-3 41 3 -3 -0.230293 -3.764366 3.760697 Rho 0.3194768E+03 3,-3 42 3 -3 3.883395 -0.106093 -3.724940 Rho 0.3193265E+03 3,-3 43 3 -3 -0.207305 3.697445 -3.731605 Rho 0.3193393E+03 3,-3 44 3 -3 0.230128 3.765026 3.756304 Rho 0.3193276E+03 3,-3 45 3 -3 3.741255 -3.761024 -0.203017 Rho 0.3192999E+03 3,-3 46 3 -3 3.747831 3.762438 0.234859 Rho 0.3193384E+03 3,-3 47 3 -3 -3.775677 3.723658 -0.199662 Rho 0.3193058E+03 3,-3 48 3 -3 -3.913383 -3.620250 0.280984 Rho 0.3193446E+03 3,-3 49 3 -3 -3.896526 0.364062 -3.634702 Rho 0.3194237E+03 3,-3 50 3 -3 -3.728537 -0.202530 3.810735 Rho 0.3193352E+03 3,-3 51 3 -3 3.722552 0.192502 3.790073 Rho 0.3194657E+03 3,-3 52 3 -3 1.131024 -1.940001 -2.433132 Rho 0.4308393E+00 3,-3 53 3 -3 -0.645205 -3.441017 -1.276957 Rho 0.4409975E+00 3,-3 54 3 +1 1.961729 -1.990802 2.009942 Rho 0.1191173E-01 |GRAD(Rho)| 0.2729863E-13 GRAD(Rho)x -0.1638917E-13 GRAD(Rho)y 0.1523036E-13 GRAD(Rho)z -0.1564118E-13 Laplacian 0.5585381E-01 (-1/4)Del**2(Rho)) -0.1396345E-01 Diamond 0.1667392E-02 Metallicity 0.7665115E+00 Ellipticity -0.1059363E+01 Gb(Abramov) 0.1109283E-01 Vb(Abramov) -0.8222201E-02 Hb(Abramov) 0.2870627E-02 Ex_ueg -0.2009178E-02 Ec_ueg -0.4554959E-03 Delta_ex -0.2580156E-02 Delta_ec 0.4393778E-03 Delta_et -0.3508994E-02 Pxc 0.4410968E+01 Qxc -0.5872295E+01 3,+1 55 3 +1 -1.688581 -0.539936 0.545924 Rho 0.9793087E-02 |GRAD(Rho)| 0.6950747E-16 GRAD(Rho)x 0.4885294E-16 GRAD(Rho)y 0.4905262E-16 GRAD(Rho)z 0.6206336E-17 Laplacian 0.3741750E-01 (-1/4)Del**2(Rho)) -0.9354375E-02 Diamond 0.1201963E-02 Metallicity 0.8255393E+00 Ellipticity -0.1538108E+01 Gb(Abramov) 0.7523317E-02 Vb(Abramov) -0.5692260E-02 Hb(Abramov) 0.1831058E-02 Ex_ueg -0.1547431E-02 Ec_ueg -0.3586734E-03 Delta_ex -0.1769320E-02 Delta_ec 0.5308998E-03 Delta_et -0.3747986E-02 Pxc 0.4314317E+01 Qxc -0.3332682E+01 3,+1 56 3 -1 -1.782982 -0.622216 -1.832958 Rho 0.4584415E-01 |GRAD(Rho)| 0.5673715E-14 GRAD(Rho)x -0.3694331E-14 GRAD(Rho)y -0.3078974E-14 GRAD(Rho)z 0.3010461E-14 Laplacian 0.1884864E+00 (-1/4)Del**2(Rho)) -0.4712159E-01 Diamond 0.8873961E-01 Metallicity 0.2146874E+01 Ellipticity 0.1986873E-01 Gb(Abramov) 0.4827508E-01 Vb(Abramov) -0.4942857E-01 Hb(Abramov) -0.1153487E-02 Ex_ueg -0.1211798E-01 Ec_ueg -0.2186475E-02 Delta_ex -0.1536551E-01 Delta_ec 0.5950005E-02 Delta_et -0.6139721E-01 Pxc 0.5542246E+01 Qxc -0.2582436E+01 3,-1 57 3 +1 -1.699581 0.488798 -0.543438 Rho 0.9617369E-02 |GRAD(Rho)| 0.1113154E-16 GRAD(Rho)x 0.3991643E-17 GRAD(Rho)y -0.6347188E-18 GRAD(Rho)z 0.1037184E-16 Laplacian 0.3636537E-01 (-1/4)Del**2(Rho)) -0.9091343E-02 Diamond 0.1180986E-02 Metallicity 0.8241741E+00 Ellipticity -0.1596940E+01 Gb(Abramov) 0.7309704E-02 Vb(Abramov) -0.5528064E-02 Hb(Abramov) 0.1781640E-02 Ex_ueg -0.1510521E-02 Ec_ueg -0.3507268E-03 Delta_ex -0.1727678E-02 Delta_ec 0.5446217E-03 Delta_et -0.3804879E-02 Pxc 0.4306831E+01 Qxc -0.3172254E+01 3,+1 58 3 +1 0.390187 -1.771824 -0.702459 Rho 0.7727379E-02 |GRAD(Rho)| 0.6389924E-13 GRAD(Rho)x -0.4957356E-13 GRAD(Rho)y 0.4009147E-13 GRAD(Rho)z 0.4271907E-14 Laplacian 0.2949005E-01 (-1/4)Del**2(Rho)) -0.7372514E-02 Diamond 0.8557328E-03 Metallicity 0.7057614E+00 Ellipticity -0.1800398E+01 Gb(Abramov) 0.5782215E-02 Vb(Abramov) -0.4191916E-02 Hb(Abramov) 0.1590299E-02 Ex_ueg -0.1128309E-02 Ec_ueg -0.2661074E-03 Delta_ex -0.1401583E-02 Delta_ec 0.5759943E-03 Delta_et -0.3694870E-02 Pxc 0.4240051E+01 Qxc -0.2433327E+01 3,+1 59 3 +1 -2.182625 1.238099 1.241948 Rho 0.2861698E-01 |GRAD(Rho)| 0.1822843E-14 GRAD(Rho)x 0.4399691E-15 GRAD(Rho)y 0.1767356E-14 GRAD(Rho)z 0.7508510E-16 Laplacian 0.1147781E+00 (-1/4)Del**2(Rho)) -0.2869453E-01 Diamond 0.1904469E-01 Metallicity 0.1607411E+01 Ellipticity -0.6469337E+01 Gb(Abramov) 0.2681701E-01 Vb(Abramov) -0.2493948E-01 Hb(Abramov) 0.1877527E-02 Ex_ueg -0.6464725E-02 Ec_ueg -0.1272492E-02 Delta_ex -0.7489346E-02 Delta_ec 0.2103510E-02 Delta_et -0.1916468E-01 Pxc 0.5080365E+01 Qxc -0.3560405E+01 3,+1 60 3 +1 0.320389 -1.592674 -1.666006 Rho 0.6221089E-02 |GRAD(Rho)| 0.8202848E-17 GRAD(Rho)x 0.5677223E-18 GRAD(Rho)y -0.2391326E-17 GRAD(Rho)z 0.7825980E-17 Laplacian 0.2457980E-01 (-1/4)Del**2(Rho)) -0.6144950E-02 Diamond 0.6179064E-03 Metallicity 0.5899459E+00 Ellipticity -0.1932188E+01 Gb(Abramov) 0.4700832E-02 Vb(Abramov) -0.3256713E-02 Hb(Abramov) 0.1444119E-02 Ex_ueg -0.8450329E-03 Ec_ueg -0.1998339E-03 Delta_ex -0.1170699E-02 Delta_ec 0.5867218E-03 Delta_et -0.3475405E-02 Pxc 0.4228677E+01 Qxc -0.1995322E+01 3,+1 61 3 +3 0.005800 2.269159 0.026665 Rho 0.4645053E-02 |GRAD(Rho)| 0.3588208E-17 GRAD(Rho)x 0.1111154E-17 GRAD(Rho)y 0.3381611E-17 GRAD(Rho)z 0.4530828E-18 Laplacian 0.1903471E-01 (-1/4)Del**2(Rho)) -0.4758678E-02 Diamond 0.1556329E-03 Metallicity 0.4681496E+00 Ellipticity -0.2861356E+00 Gb(Abramov) 0.3543747E-02 Vb(Abramov) -0.2328817E-02 Hb(Abramov) 0.1214930E-02 Ex_ueg -0.5724084E-03 Ec_ueg -0.1316701E-03 Delta_ex -0.6806770E-03 Delta_ec 0.1486883E-03 Delta_et -0.9734031E-03 Pxc 0.4347292E+01 Qxc -0.4577878E+01 3,+3 62 3 -1 -3.331445 -3.106943 0.097600 Rho 0.2448219E+00 |GRAD(Rho)| 0.1540531E-14 GRAD(Rho)x -0.1264397E-14 GRAD(Rho)y -0.8144527E-15 GRAD(Rho)z 0.3334735E-15 Laplacian 0.9148078E+00 (-1/4)Del**2(Rho)) -0.2287020E+00 Diamond 0.3290329E+01 Metallicity 0.7217172E+01 Ellipticity 0.1720604E-02 Gb(Abramov) 0.4275649E+00 Vb(Abramov) -0.6264277E+00 Hb(Abramov) -0.1988629E+00 Ex_ueg -0.1131146E+00 Ec_ueg -0.1477307E-01 Delta_ex -0.1109820E+00 Delta_ec 0.1987205E-01 Delta_et -0.2744495E+00 Pxc 0.7656810E+01 Qxc -0.5584828E+01 3,-1 63 3 -1 -1.883345 -2.736766 0.589363 Rho 0.1159010E+00 |GRAD(Rho)| 0.2901223E-13 GRAD(Rho)x -0.2210667E-13 GRAD(Rho)y 0.4598301E-14 GRAD(Rho)z -0.1821703E-13 Laplacian 0.4782637E+00 (-1/4)Del**2(Rho)) -0.1195659E+00 Diamond 0.7150934E+00 Metallicity 0.3969698E+01 Ellipticity 0.2509199E-01 Gb(Abramov) 0.1588174E+00 Vb(Abramov) -0.1980689E+00 Hb(Abramov) -0.3925147E-01 Ex_ueg -0.4173507E-01 Ec_ueg -0.6297959E-02 Delta_ex -0.4831751E-01 Delta_ec 0.1301335E-01 Delta_et -0.1664019E+00 Pxc 0.6626761E+01 Qxc -0.3712918E+01 3,-1 64 3 +1 -0.628856 -1.673010 0.532642 Rho 0.9260619E-02 |GRAD(Rho)| 0.6894449E-16 GRAD(Rho)x -0.6225820E-16 GRAD(Rho)y -0.2891923E-16 GRAD(Rho)z -0.6398308E-17 Laplacian 0.3497113E-01 (-1/4)Del**2(Rho)) -0.8742783E-02 Diamond 0.1051015E-02 Metallicity 0.8047053E+00 Ellipticity -0.1539200E+01 Gb(Abramov) 0.7001082E-02 Vb(Abramov) -0.5259382E-02 Hb(Abramov) 0.1741700E-02 Ex_ueg -0.1436278E-02 Ec_ueg -0.3346341E-03 Delta_ex -0.1634370E-02 Delta_ec 0.5035925E-03 Delta_et -0.3498882E-02 Pxc 0.4292084E+01 Qxc -0.3245422E+01 3,+1 65 3 -1 -1.824559 -1.729175 -0.554085 Rho 0.5531658E-01 |GRAD(Rho)| 0.1228421E-15 GRAD(Rho)x -0.9467795E-16 GRAD(Rho)y -0.7351738E-16 GRAD(Rho)z -0.2685984E-16 Laplacian 0.2221514E+00 (-1/4)Del**2(Rho)) -0.5553784E-01 Diamond 0.1288227E+00 Metallicity 0.2491092E+01 Ellipticity 0.1907935E-01 Gb(Abramov) 0.6008354E-01 Vb(Abramov) -0.6462924E-01 Hb(Abramov) -0.4545699E-02 Ex_ueg -0.1556654E-01 Ec_ueg -0.2710796E-02 Delta_ex -0.1874467E-01 Delta_ec 0.6588929E-02 Delta_et -0.7131159E-01 Pxc 0.5742425E+01 Qxc -0.2844874E+01 3,-1 66 3 +1 -0.187979 2.951875 0.205006 Rho 0.5693573E-02 |GRAD(Rho)| 0.3203319E-17 GRAD(Rho)x -0.2816265E-17 GRAD(Rho)y -0.1061479E-17 GRAD(Rho)z -0.1096888E-17 Laplacian 0.2366786E-01 (-1/4)Del**2(Rho)) -0.5916965E-02 Diamond 0.5970933E-03 Metallicity 0.5285617E+00 Ellipticity -0.2200359E+01 Gb(Abramov) 0.4465890E-02 Vb(Abramov) -0.3014815E-02 Hb(Abramov) 0.1451075E-02 Ex_ueg -0.7508703E-03 Ec_ueg -0.1768811E-03 Delta_ex -0.1159894E-02 Delta_ec 0.6613521E-03 Delta_et -0.3767757E-02 Pxc 0.4245056E+01 Qxc -0.1753822E+01 3,+1 67 3 +1 -2.903588 -0.276103 -0.283654 Rho 0.5645481E-02 |GRAD(Rho)| 0.2209094E-13 GRAD(Rho)x 0.1869881E-13 GRAD(Rho)y -0.8871506E-14 GRAD(Rho)z -0.7724008E-14 Laplacian 0.2335966E-01 (-1/4)Del**2(Rho)) -0.5839915E-02 Diamond 0.4608498E-03 Metallicity 0.5280173E+00 Ellipticity -0.1423713E+01 Gb(Abramov) 0.4407206E-02 Vb(Abramov) -0.2974497E-02 Hb(Abramov) 0.1432709E-02 Ex_ueg -0.7424256E-03 Ec_ueg -0.1747954E-03 Delta_ex -0.1046630E-02 Delta_ec 0.4810285E-03 Delta_et -0.2810618E-02 Pxc 0.4247399E+01 Qxc -0.2175818E+01 3,+1 68 3 +1 1.663478 0.485865 0.528991 Rho 0.7515707E-02 |GRAD(Rho)| 0.3433215E-12 GRAD(Rho)x -0.8360256E-13 GRAD(Rho)y 0.1302437E-12 GRAD(Rho)z 0.3064585E-12 Laplacian 0.2947931E-01 (-1/4)Del**2(Rho)) -0.7369827E-02 Diamond 0.6701998E-03 Metallicity 0.6740812E+00 Ellipticity -0.1408461E+01 Gb(Abramov) 0.5741195E-02 Vb(Abramov) -0.4112563E-02 Hb(Abramov) 0.1628632E-02 Ex_ueg -0.1087289E-02 Ec_ueg -0.2567302E-03 Delta_ex -0.1309143E-02 Delta_ec 0.4278693E-03 Delta_et -0.2813433E-02 Pxc 0.4235142E+01 Qxc -0.3059679E+01 3,+1 69 3 -1 -3.022499 -0.936838 -2.086808 Rho 0.1137139E+00 |GRAD(Rho)| 0.2328992E-13 GRAD(Rho)x 0.8144967E-14 GRAD(Rho)y 0.1471897E-13 GRAD(Rho)z -0.1610688E-13 Laplacian 0.4296215E+00 (-1/4)Del**2(Rho)) -0.1074054E+00 Diamond 0.6298256E+00 Metallicity 0.4281045E+01 Ellipticity 0.2914597E-01 Gb(Abramov) 0.1482381E+00 Vb(Abramov) -0.1890709E+00 Hb(Abramov) -0.4083276E-01 Ex_ueg -0.4068833E-01 Ec_ueg -0.6163031E-02 Delta_ex -0.4323720E-01 Delta_ec 0.1179298E-01 Delta_et -0.1503529E+00 Pxc 0.6602000E+01 Qxc -0.3666351E+01 3,-1 70 3 +1 -1.168482 1.280714 2.192940 Rho 0.2740521E-01 |GRAD(Rho)| 0.2121938E-16 GRAD(Rho)x -0.7204873E-17 GRAD(Rho)y 0.1987683E-16 GRAD(Rho)z 0.1806603E-17 Laplacian 0.1083780E+00 (-1/4)Del**2(Rho)) -0.2709449E-01 Diamond 0.1646929E-01 Metallicity 0.1583898E+01 Ellipticity -0.4797055E+01 Gb(Abramov) 0.2521548E-01 Vb(Abramov) -0.2333647E-01 Hb(Abramov) 0.1879010E-02 Ex_ueg -0.6102332E-02 Ec_ueg -0.1210559E-02 Delta_ex -0.6945266E-02 Delta_ec 0.1904833E-02 Delta_et -0.1718268E-01 Pxc 0.5040922E+01 Qxc -0.3646128E+01 3,+1 71 3 +1 -2.902554 0.193414 0.229882 Rho 0.6096362E-02 |GRAD(Rho)| 0.1996616E-16 GRAD(Rho)x -0.5909427E-18 GRAD(Rho)y 0.1380910E-16 GRAD(Rho)z -0.1440858E-16 Laplacian 0.2528113E-01 (-1/4)Del**2(Rho)) -0.6320284E-02 Diamond 0.7342706E-03 Metallicity 0.5545421E+00 Ellipticity -0.3296550E+01 Gb(Abramov) 0.4797666E-02 Vb(Abramov) -0.3275049E-02 Hb(Abramov) 0.1522617E-02 Ex_ueg -0.8225192E-03 Ec_ueg -0.1943946E-03 Delta_ex -0.1281422E-02 Delta_ec 0.7509335E-03 Delta_et -0.4345614E-02 Pxc 0.4231183E+01 Qxc -0.1706439E+01 3,+1 72 3 -1 -2.915056 0.090363 0.118938 Rho 0.6111769E-02 |GRAD(Rho)| 0.7531238E-17 GRAD(Rho)x -0.8742147E-18 GRAD(Rho)y 0.2054472E-17 GRAD(Rho)z -0.7192665E-17 Laplacian 0.2457447E-01 (-1/4)Del**2(Rho)) -0.6143617E-02 Diamond 0.8442359E-03 Metallicity 0.5728936E+00 Ellipticity 0.2346129E+01 Gb(Abramov) 0.4682351E-02 Vb(Abramov) -0.3221085E-02 Hb(Abramov) 0.1461266E-02 Ex_ueg -0.8252920E-03 Ec_ueg -0.1950661E-03 Delta_ex -0.1337224E-02 Delta_ec 0.8923855E-03 Delta_et -0.5100353E-02 Pxc 0.4230833E+01 Qxc -0.1498483E+01 3,-1 73 3 +3 -1.125440 -1.114478 1.170303 Rho 0.5482983E-02 |GRAD(Rho)| 0.1685068E-11 GRAD(Rho)x 0.5289112E-13 GRAD(Rho)y 0.1683962E-11 GRAD(Rho)z -0.3046833E-13 Laplacian 0.2125788E-01 (-1/4)Del**2(Rho)) -0.5314470E-02 Diamond 0.1637171E-03 Metallicity 0.5526558E+00 Ellipticity -0.1449075E+00 Gb(Abramov) 0.4032492E-02 Vb(Abramov) -0.2750514E-02 Hb(Abramov) 0.1281978E-02 Ex_ueg -0.7140702E-03 Ec_ueg -0.1677564E-03 Delta_ex -0.7496556E-03 Delta_ec 0.8669065E-04 Delta_et -0.7169441E-03 Pxc 0.4256591E+01 Qxc -0.8647479E+01 3,+3 74 3 +1 0.020026 -2.942781 0.060716 Rho 0.4651958E-02 |GRAD(Rho)| 0.3537273E-17 GRAD(Rho)x 0.1302258E-17 GRAD(Rho)y -0.1213365E-17 GRAD(Rho)z -0.3056823E-17 Laplacian 0.1842068E-01 (-1/4)Del**2(Rho)) -0.4605170E-02 Diamond 0.3847517E-03 Metallicity 0.4849540E+00 Ellipticity -0.2958495E+01 Gb(Abramov) 0.3442329E-02 Vb(Abramov) -0.2279488E-02 Hb(Abramov) 0.1162841E-02 Ex_ueg -0.5735432E-03 Ec_ueg -0.1319660E-03 Delta_ex -0.8980311E-03 Delta_ec 0.5707049E-03 Delta_et -0.3036731E-02 Pxc 0.4346143E+01 Qxc -0.1573547E+01 3,+1 75 3 -1 -3.174919 -0.051243 3.257287 Rho 0.2448068E+00 |GRAD(Rho)| 0.2726678E-15 GRAD(Rho)x 0.2395003E-15 GRAD(Rho)y 0.1246561E-15 GRAD(Rho)z -0.3805550E-16 Laplacian 0.8983985E+00 (-1/4)Del**2(Rho)) -0.2245996E+00 Diamond 0.3241764E+01 Metallicity 0.7348237E+01 Ellipticity 0.2700751E-02 Gb(Abramov) 0.4248016E+00 Vb(Abramov) -0.6250036E+00 Hb(Abramov) -0.2002020E+00 Ex_ueg -0.1131053E+00 Ec_ueg -0.1477202E-01 Delta_ex -0.1090449E+00 Delta_ec 0.1961496E-01 Delta_et -0.2713517E+00 Pxc 0.7656723E+01 Qxc -0.5559275E+01 3,-1 76 3 -1 -2.981091 0.871993 2.053805 Rho 0.1401083E+00 |GRAD(Rho)| 0.1519028E-15 GRAD(Rho)x -0.2322903E-16 GRAD(Rho)y 0.1268517E-15 GRAD(Rho)z -0.8027162E-16 Laplacian 0.5555636E+00 (-1/4)Del**2(Rho)) -0.1388909E+00 Diamond 0.1035706E+01 Metallicity 0.4687980E+01 Ellipticity 0.4548825E-01 Gb(Abramov) 0.2011136E+00 Vb(Abramov) -0.2633362E+00 Hb(Abramov) -0.6222266E-01 Ex_ueg -0.5374484E-01 Ec_ueg -0.7813340E-02 Delta_ex -0.5865752E-01 Delta_ec 0.1430399E-01 Delta_et -0.1884780E+00 Pxc 0.6878600E+01 Qxc -0.4100782E+01 3,-1 77 3 -1 -3.268355 0.081073 -3.209244 Rho 0.2263991E+00 |GRAD(Rho)| 0.3019069E-15 GRAD(Rho)x 0.1464215E-15 GRAD(Rho)y 0.1395910E-15 GRAD(Rho)z -0.2241046E-15 Laplacian 0.8275457E+00 (-1/4)Del**2(Rho)) -0.2068864E+00 Diamond 0.2734407E+01 Metallicity 0.7002916E+01 Ellipticity 0.1904611E-01 Gb(Abramov) 0.3793924E+00 Vb(Abramov) -0.5518983E+00 Hb(Abramov) -0.1725059E+00 Ex_ueg -0.1019103E+00 Ec_ueg -0.1350399E-01 Delta_ex -0.9851214E-01 Delta_ec 0.1865780E-01 Delta_et -0.2580684E+00 Pxc 0.7546678E+01 Qxc -0.5279944E+01 3,-1 78 3 +1 2.154819 1.241404 -1.171819 Rho 0.2632785E-01 |GRAD(Rho)| 0.2467502E-16 GRAD(Rho)x 0.8143507E-17 GRAD(Rho)y 0.2046591E-16 GRAD(Rho)z 0.1112144E-16 Laplacian 0.1055451E+00 (-1/4)Del**2(Rho)) -0.2638629E-01 Diamond 0.1609761E-01 Metallicity 0.1521250E+01 Ellipticity -0.7053324E+01 Gb(Abramov) 0.2428088E-01 Vb(Abramov) -0.2217548E-01 Hb(Abramov) 0.2105405E-02 Ex_ueg -0.5784587E-02 Ec_ueg -0.1155799E-02 Delta_ex -0.6784987E-02 Delta_ec 0.2021572E-02 Delta_et -0.1802635E-01 Pxc 0.5004837E+01 Qxc -0.3356292E+01 3,+1 79 3 +1 1.662096 -0.543534 -0.560526 Rho 0.8544632E-02 |GRAD(Rho)| 0.3203678E-12 GRAD(Rho)x 0.9284002E-13 GRAD(Rho)y 0.1420816E-12 GRAD(Rho)z 0.2717150E-12 Laplacian 0.3363679E-01 (-1/4)Del**2(Rho)) -0.8409197E-02 Diamond 0.8662854E-03 Metallicity 0.7316234E+00 Ellipticity -0.1400850E+01 Gb(Abramov) 0.6631525E-02 Vb(Abramov) -0.4853854E-02 Hb(Abramov) 0.1777671E-02 Ex_ueg -0.1290158E-02 Ec_ueg -0.3025035E-03 Delta_ex -0.1522338E-02 Delta_ec 0.4522357E-03 Delta_et -0.3103048E-02 Pxc 0.4264936E+01 Qxc -0.3366249E+01 3,+1 80 3 +1 -2.251040 -1.094148 -1.481811 Rho 0.2888086E-01 |GRAD(Rho)| 0.4240494E-11 GRAD(Rho)x 0.3284320E-11 GRAD(Rho)y 0.2502597E-11 GRAD(Rho)z -0.9654222E-12 Laplacian 0.1169729E+00 (-1/4)Del**2(Rho)) -0.2924322E-01 Diamond 0.1704685E-01 Metallicity 0.1601566E+01 Ellipticity -0.2626166E+01 Gb(Abramov) 0.2730130E-01 Vb(Abramov) -0.2535939E-01 Hb(Abramov) 0.1941916E-02 Ex_ueg -0.6544329E-02 Ec_ueg -0.1286026E-02 Delta_ex -0.7417508E-02 Delta_ec 0.1726434E-02 Delta_et -0.1581169E-01 Pxc 0.5088800E+01 Qxc -0.4296433E+01 3,+1 81 3 -1 -2.775350 0.488139 -1.856937 Rho 0.6752281E-01 |GRAD(Rho)| 0.8076149E-14 GRAD(Rho)x 0.1621625E-14 GRAD(Rho)y -0.5132926E-14 GRAD(Rho)z -0.6020597E-14 Laplacian 0.2866680E+00 (-1/4)Del**2(Rho)) -0.7166699E-01 Diamond 0.2218648E+00 Metallicity 0.2691441E+01 Ellipticity 0.7496653E-02 Gb(Abramov) 0.7992591E-01 Vb(Abramov) -0.8818482E-01 Hb(Abramov) -0.8258918E-02 Ex_ueg -0.2030731E-01 Ec_ueg -0.3404210E-02 Delta_ex -0.2556489E-01 Delta_ec 0.8688477E-02 Delta_et -0.9899511E-01 Pxc 0.5965352E+01 Qxc -0.2942390E+01 3,-1 82 3 +1 -0.564305 1.634615 -0.525218 Rho 0.8878359E-02 |GRAD(Rho)| 0.6795744E-17 GRAD(Rho)x 0.2102323E-17 GRAD(Rho)y -0.5667921E-17 GRAD(Rho)z -0.3104359E-17 Laplacian 0.3455733E-01 (-1/4)Del**2(Rho)) -0.8639333E-02 Diamond 0.9297974E-03 Metallicity 0.7590915E+00 Ellipticity -0.1417399E+01 Gb(Abramov) 0.6852563E-02 Vb(Abramov) -0.5065792E-02 Hb(Abramov) 0.1786770E-02 Ex_ueg -0.1357778E-02 Ec_ueg -0.3174518E-03 Delta_ex -0.1575949E-02 Delta_ec 0.4584872E-03 Delta_et -0.3181838E-02 Pxc 0.4277114E+01 Qxc -0.3437280E+01 3,+1 83 3 -1 -2.801630 1.768867 -0.534850 Rho 0.1945738E+00 |GRAD(Rho)| 0.1194715E-12 GRAD(Rho)x 0.8938739E-13 GRAD(Rho)y 0.7572155E-13 GRAD(Rho)z -0.2344300E-13 Laplacian 0.7941583E+00 (-1/4)Del**2(Rho)) -0.1985396E+00 Diamond 0.2160801E+01 Metallicity 0.5669090E+01 Ellipticity 0.1914658E-01 Gb(Abramov) 0.3199495E+00 Vb(Abramov) -0.4413594E+00 Hb(Abramov) -0.1214099E+00 Ex_ueg -0.8327172E-01 Ec_ueg -0.1135572E-01 Delta_ex -0.9074302E-01 Delta_ec 0.1834785E-01 Delta_et -0.2500396E+00 Pxc 0.7333022E+01 Qxc -0.4945702E+01 3,-1 84 3 -1 -3.077057 -1.995337 -0.878370 Rho 0.1596758E+00 |GRAD(Rho)| 0.2964051E-15 GRAD(Rho)x 0.4733898E-16 GRAD(Rho)y -0.2389311E-16 GRAD(Rho)z 0.2916233E-15 Laplacian 0.6222860E+00 (-1/4)Del**2(Rho)) -0.1555715E+00 Diamond 0.1363244E+01 Metallicity 0.5204214E+01 Ellipticity 0.7235044E-01 Gb(Abramov) 0.2386522E+00 Vb(Abramov) -0.3217329E+00 Hb(Abramov) -0.8308073E-01 Ex_ueg -0.6397898E-01 Ec_ueg -0.9065757E-02 Delta_ex -0.6790215E-01 Delta_ec 0.1560646E-01 Delta_et -0.2096551E+00 Pxc 0.7057214E+01 Qxc -0.4350899E+01 3,-1 85 3 -1 -2.820462 -1.761039 0.575045 Rho 0.1423851E+00 |GRAD(Rho)| 0.4415305E-14 GRAD(Rho)x -0.7505491E-15 GRAD(Rho)y 0.2457466E-14 GRAD(Rho)z 0.3590607E-14 Laplacian 0.5996649E+00 (-1/4)Del**2(Rho)) -0.1499162E+00 Diamond 0.1140331E+01 Metallicity 0.4461477E+01 Ellipticity 0.1265056E-01 Gb(Abramov) 0.2114188E+00 Vb(Abramov) -0.2729214E+00 Hb(Abramov) -0.6150257E-01 Ex_ueg -0.5491248E-01 Ec_ueg -0.7957846E-02 Delta_ex -0.6356918E-01 Delta_ec 0.1538923E-01 Delta_et -0.2032870E+00 Pxc 0.6900420E+01 Qxc -0.4130757E+01 3,-1 86 3 +1 -1.768000 -1.713579 1.795521 Rho 0.1240530E-01 |GRAD(Rho)| 0.2502048E-13 GRAD(Rho)x -0.7657775E-14 GRAD(Rho)y 0.2182035E-13 GRAD(Rho)z 0.9552768E-14 Laplacian 0.6229034E-01 (-1/4)Del**2(Rho)) -0.1557258E-01 Diamond 0.2583554E-02 Metallicity 0.7354242E+00 Ellipticity -0.1250683E+01 Gb(Abramov) 0.1229046E-01 Vb(Abramov) -0.9008346E-02 Hb(Abramov) 0.3282119E-02 Ex_ueg -0.2120938E-02 Ec_ueg -0.4783112E-03 Delta_ex -0.3080865E-02 Delta_ec 0.7943164E-03 Delta_et -0.6015281E-02 Pxc 0.4434223E+01 Qxc -0.3878638E+01 3,+1 87 3 -1 -3.230511 3.153584 -0.063757 Rho 0.2410120E+00 |GRAD(Rho)| 0.3784879E-13 GRAD(Rho)x 0.1328365E-14 GRAD(Rho)y 0.3215581E-13 GRAD(Rho)z 0.1991910E-13 Laplacian 0.8856371E+00 (-1/4)Del**2(Rho)) -0.2214093E+00 Diamond 0.3135012E+01 Metallicity 0.7262540E+01 Ellipticity 0.1025236E-01 Gb(Abramov) 0.4156051E+00 Vb(Abramov) -0.6098010E+00 Hb(Abramov) -0.1941958E+00 Ex_ueg -0.1107737E+00 Ec_ueg -0.1450910E-01 Delta_ex -0.1070511E+00 Delta_ec 0.1941589E-01 Delta_et -0.2684305E+00 Pxc 0.7634774E+01 Qxc -0.5513582E+01 3,-1 88 3 +3 -2.335708 -0.020798 -0.001327 Rho 0.5211729E-02 |GRAD(Rho)| 0.6327902E-17 GRAD(Rho)x 0.4342573E-18 GRAD(Rho)y 0.3507056E-17 GRAD(Rho)z -0.5249221E-17 Laplacian 0.2125498E-01 (-1/4)Del**2(Rho)) -0.5313745E-02 Diamond 0.2199605E-03 Metallicity 0.5079124E+00 Ellipticity -0.4787789E+00 Gb(Abramov) 0.3992316E-02 Vb(Abramov) -0.2670887E-02 Hb(Abramov) 0.1321429E-02 Ex_ueg -0.6673609E-03 Ec_ueg -0.1560357E-03 Delta_ex -0.7980807E-03 Delta_ec 0.1922201E-03 Delta_et -0.1248955E-02 Pxc 0.4276976E+01 Qxc -0.4151911E+01 3,+3 89 3 -1 0.105088 -2.015718 -1.053724 Rho 0.8476779E-02 |GRAD(Rho)| 0.7080325E-12 GRAD(Rho)x 0.6317793E-12 GRAD(Rho)y -0.1956546E-12 GRAD(Rho)z 0.2527533E-12 Laplacian 0.3266326E-01 (-1/4)Del**2(Rho)) -0.8165815E-02 Diamond 0.1762901E-02 Metallicity 0.7434842E+00 Ellipticity 0.5118104E+00 Gb(Abramov) 0.6455736E-02 Vb(Abramov) -0.4745656E-02 Hb(Abramov) 0.1710079E-02 Ex_ueg -0.1276516E-02 Ec_ueg -0.2994703E-03 Delta_ex -0.1902820E-02 Delta_ec 0.1202486E-02 Delta_et -0.7582301E-02 Pxc 0.4262580E+01 Qxc -0.1582405E+01 3,-1 90 3 -1 -1.969311 0.875102 3.043007 Rho 0.1444352E+00 |GRAD(Rho)| 0.1614486E-13 GRAD(Rho)x -0.1297814E-13 GRAD(Rho)y -0.7983252E-14 GRAD(Rho)z 0.5337798E-14 Laplacian 0.5680981E+00 (-1/4)Del**2(Rho)) -0.1420245E+00 Diamond 0.1102401E+01 Metallicity 0.4822939E+01 Ellipticity 0.4192225E-01 Gb(Abramov) 0.2088456E+00 Vb(Abramov) -0.2756667E+00 Hb(Abramov) -0.6682110E-01 Ex_ueg -0.5596922E-01 Ec_ueg -0.8088246E-02 Delta_ex -0.6046912E-01 Delta_ec 0.1459142E-01 Delta_et -0.1932904E+00 Pxc 0.6919822E+01 Qxc -0.4144155E+01 3,-1 91 3 +3 1.083637 1.071029 1.060699 Rho 0.4553785E-02 |GRAD(Rho)| 0.3405930E-13 GRAD(Rho)x -0.2617979E-14 GRAD(Rho)y -0.2390054E-14 GRAD(Rho)z 0.3387432E-13 Laplacian 0.1791908E-01 (-1/4)Del**2(Rho)) -0.4479770E-02 Diamond 0.1184690E-03 Metallicity 0.4811180E+00 Ellipticity -0.2547925E+00 Gb(Abramov) 0.3345730E-02 Vb(Abramov) -0.2211689E-02 Hb(Abramov) 0.1134040E-02 Ex_ueg -0.5574617E-03 Ec_ueg -0.1277612E-03 Delta_ex -0.6120757E-03 Delta_ec 0.9463725E-04 Delta_et -0.6913375E-03 Pxc 0.4363311E+01 Qxc -0.6467599E+01 3,+3 92 3 +1 -1.753401 1.712926 -1.727474 Rho 0.1151879E-01 |GRAD(Rho)| 0.3107849E-14 GRAD(Rho)x 0.2491133E-14 GRAD(Rho)y 0.1144591E-14 GRAD(Rho)z -0.1463862E-14 Laplacian 0.5636388E-01 (-1/4)Del**2(Rho)) -0.1409097E-01 Diamond 0.2169964E-02 Metallicity 0.7182744E+00 Ellipticity -0.1288891E+01 Gb(Abramov) 0.1108084E-01 Vb(Abramov) -0.8070717E-02 Hb(Abramov) 0.3010126E-02 Ex_ueg -0.1921296E-02 Ec_ueg -0.4374005E-03 Delta_ex -0.2751418E-02 Delta_ec 0.7505044E-03 Delta_et -0.5556537E-02 Pxc 0.4392532E+01 Qxc -0.3666093E+01 3,+1 93 3 -1 -2.072146 -3.109316 -0.711501 Rho 0.1491169E+00 |GRAD(Rho)| 0.4081057E-15 GRAD(Rho)x 0.1839891E-15 GRAD(Rho)y -0.2599239E-15 GRAD(Rho)z -0.2552212E-15 Laplacian 0.5543009E+00 (-1/4)Del**2(Rho)) -0.1385752E+00 Diamond 0.1144367E+01 Metallicity 0.5212894E+01 Ellipticity 0.1189537E+00 Gb(Abramov) 0.2127798E+00 Vb(Abramov) -0.2869844E+00 Hb(Abramov) -0.7420459E-01 Ex_ueg -0.5840107E-01 Ec_ueg -0.8387005E-02 Delta_ex -0.5973169E-01 Delta_ec 0.1460462E-01 Delta_et -0.1954455E+00 Pxc 0.6963280E+01 Qxc -0.4089917E+01 3,-1 94 3 +3 -0.102148 -2.434265 -0.100738 Rho 0.4158190E-02 |GRAD(Rho)| 0.8039106E-12 GRAD(Rho)x -0.7948158E-12 GRAD(Rho)y 0.8532424E-13 GRAD(Rho)z 0.8520465E-13 Laplacian 0.1663461E-01 (-1/4)Del**2(Rho)) -0.4158652E-02 Diamond 0.1340273E-03 Metallicity 0.4454250E+00 Ellipticity -0.3038857E+00 Gb(Abramov) 0.3081163E-02 Vb(Abramov) -0.2003673E-02 Hb(Abramov) 0.1077489E-02 Ex_ueg -0.4938453E-03 Ec_ueg -0.1108681E-03 Delta_ex -0.5981547E-03 Delta_ec 0.1660121E-03 Delta_et -0.9999356E-03 Pxc 0.4454348E+01 Qxc -0.3603080E+01 3,+3 95 3 +1 -0.538806 -0.581209 1.665221 Rho 0.8510470E-02 |GRAD(Rho)| 0.1167834E-14 GRAD(Rho)x 0.9027833E-15 GRAD(Rho)y -0.7405194E-15 GRAD(Rho)z -0.2118584E-16 Laplacian 0.3304688E-01 (-1/4)Del**2(Rho)) -0.8261721E-02 Diamond 0.8657370E-03 Metallicity 0.7397277E+00 Ellipticity -0.1436665E+01 Gb(Abramov) 0.6526385E-02 Vb(Abramov) -0.4791048E-02 Hb(Abramov) 0.1735336E-02 Ex_ueg -0.1283285E-02 Ec_ueg -0.3009761E-03 Delta_ex -0.1502923E-02 Delta_ec 0.4600332E-03 Delta_et -0.3139922E-02 Pxc 0.4263744E+01 Qxc -0.3266989E+01 3,+1 96 3 -1 -1.750768 1.683528 0.530557 Rho 0.4800457E-01 |GRAD(Rho)| 0.3397752E-16 GRAD(Rho)x -0.1306548E-16 GRAD(Rho)y -0.2990069E-16 GRAD(Rho)z -0.9471734E-17 Laplacian 0.1928618E+00 (-1/4)Del**2(Rho)) -0.4821545E-01 Diamond 0.9155390E-01 Metallicity 0.2265538E+01 Ellipticity 0.1645181E-01 Gb(Abramov) 0.5034929E-01 Vb(Abramov) -0.5248312E-01 Hb(Abramov) -0.2133839E-02 Ex_ueg -0.1288532E-01 Ec_ueg -0.2304875E-02 Delta_ex -0.1567011E-01 Delta_ec 0.5671305E-02 Delta_et -0.5914893E-01 Pxc 0.5590465E+01 Qxc -0.2763052E+01 3,-1 97 3 -1 0.234298 -1.192944 -1.915413 Rho 0.6656631E-02 |GRAD(Rho)| 0.5215752E-17 GRAD(Rho)x -0.3987300E-17 GRAD(Rho)y 0.2869274E-18 GRAD(Rho)z 0.3350102E-17 Laplacian 0.2648120E-01 (-1/4)Del**2(Rho)) -0.6620299E-02 Diamond 0.1070083E-02 Metallicity 0.6129612E+00 Ellipticity 0.4664828E+00 Gb(Abramov) 0.5089864E-02 Vb(Abramov) -0.3559429E-02 Hb(Abramov) 0.1530435E-02 Ex_ueg -0.9248210E-03 Ec_ueg -0.2188865E-03 Delta_ex -0.1496024E-02 Delta_ec 0.1017779E-02 Delta_et -0.5950726E-02 Pxc 0.4225117E+01 Qxc -0.1469891E+01 3,-1 98 3 +3 -1.151302 1.088467 -1.133999 Rho 0.5402839E-02 |GRAD(Rho)| 0.1694706E-14 GRAD(Rho)x 0.9377600E-15 GRAD(Rho)y 0.9328179E-15 GRAD(Rho)z 0.1059473E-14 Laplacian 0.2083978E-01 (-1/4)Del**2(Rho)) -0.5209946E-02 Diamond 0.1576597E-03 Metallicity 0.5500769E+00 Ellipticity -0.3272089E+00 Gb(Abramov) 0.3950942E-02 Vb(Abramov) -0.2691939E-02 Hb(Abramov) 0.1259003E-02 Ex_ueg -0.7001877E-03 Ec_ueg -0.1642896E-03 Delta_ex -0.7321954E-03 Delta_ec 0.8554757E-04 Delta_et -0.7041020E-03 Pxc 0.4261911E+01 Qxc -0.8558927E+01 3,+3 99 3 -1 -1.812583 2.750836 -0.552773 Rho 0.1285613E+00 |GRAD(Rho)| 0.4912029E-15 GRAD(Rho)x 0.3841057E-15 GRAD(Rho)y 0.1575990E-15 GRAD(Rho)z -0.2624989E-15 Laplacian 0.5336010E+00 (-1/4)Del**2(Rho)) -0.1334002E+00 Diamond 0.9034948E+00 Metallicity 0.4229088E+01 Ellipticity 0.1034165E-01 Gb(Abramov) 0.1829604E+00 Vb(Abramov) -0.2325206E+00 Hb(Abramov) -0.4956016E-01 Ex_ueg -0.4792167E-01 Ec_ueg -0.7085602E-02 Delta_ex -0.5525515E-01 Delta_ec 0.1416609E-01 Delta_et -0.1844157E+00 Pxc 0.6763245E+01 Qxc -0.3900523E+01 3,-1 100 3 -1 -1.996924 2.949409 0.853242 Rho 0.1169261E+00 |GRAD(Rho)| 0.1281287E-12 GRAD(Rho)x -0.6787627E-13 GRAD(Rho)y -0.6495038E-13 GRAD(Rho)z -0.8712765E-13 Laplacian 0.4657365E+00 (-1/4)Del**2(Rho)) -0.1164341E+00 Diamond 0.6981630E+00 Metallicity 0.4136745E+01 Ellipticity 0.1488919E-01 Gb(Abramov) 0.1578991E+00 Vb(Abramov) -0.1993641E+00 Hb(Abramov) -0.4146500E-01 Ex_ueg -0.4222799E-01 Ec_ueg -0.6361321E-02 Delta_ex -0.4707227E-01 Delta_ec 0.1250757E-01 Delta_et -0.1599700E+00 Pxc 0.6638241E+01 Qxc -0.3763503E+01 3,-1 101 3 -1 -2.175869 -0.881304 -3.290314 Rho 0.2249762E+00 |GRAD(Rho)| 0.2936653E-15 GRAD(Rho)x 0.1826881E-16 GRAD(Rho)y 0.2131541E-15 GRAD(Rho)z 0.2011737E-15 Laplacian 0.8562587E+00 (-1/4)Del**2(Rho)) -0.2140647E+00 Diamond 0.2774259E+01 Metallicity 0.6697340E+01 Ellipticity 0.2033447E-01 Gb(Abramov) 0.3816538E+00 Vb(Abramov) -0.5492429E+00 Hb(Abramov) -0.1675891E+00 Ex_ueg -0.1010572E+00 Ec_ueg -0.1340674E-01 Delta_ex -0.1015685E+00 Delta_ec 0.1899168E-01 Delta_et -0.2611893E+00 Pxc 0.7537785E+01 Qxc -0.5348054E+01 3,-1 102 3 +1 -1.305195 2.150536 1.158066 Rho 0.2855014E-01 |GRAD(Rho)| 0.6289729E-16 GRAD(Rho)x 0.3060938E-16 GRAD(Rho)y -0.5389481E-16 GRAD(Rho)z -0.1069977E-16 Laplacian 0.1154697E+00 (-1/4)Del**2(Rho)) -0.2886743E-01 Diamond 0.1914807E-01 Metallicity 0.1591569E+01 Ellipticity -0.6182872E+01 Gb(Abramov) 0.2690237E-01 Vb(Abramov) -0.2493731E-01 Hb(Abramov) 0.1965058E-02 Ex_ueg -0.6444601E-02 Ec_ueg -0.1269067E-02 Delta_ex -0.7534347E-02 Delta_ec 0.2124334E-02 Delta_et -0.1934230E-01 Pxc 0.5078220E+01 Qxc -0.3546687E+01 3,+1 103 3 -1 -1.792401 -0.544404 2.824218 Rho 0.1540793E+00 |GRAD(Rho)| 0.3116284E-15 GRAD(Rho)x 0.2756855E-15 GRAD(Rho)y -0.1439007E-15 GRAD(Rho)z 0.2005774E-16 Laplacian 0.6463248E+00 (-1/4)Del**2(Rho)) -0.1615812E+00 Diamond 0.1343880E+01 Metallicity 0.4721386E+01 Ellipticity 0.2075565E-01 Gb(Abramov) 0.2348687E+00 Vb(Abramov) -0.3081562E+00 Hb(Abramov) -0.7328748E-01 Ex_ueg -0.6100669E-01 Ec_ueg -0.8705158E-02 Delta_ex -0.6978480E-01 Delta_ec 0.1613846E-01 Delta_et -0.2152629E+00 Pxc 0.7008109E+01 Qxc -0.4324129E+01 3,-1 104 3 +1 -0.305116 -0.558230 -3.025951 Rho 0.3123186E-02 |GRAD(Rho)| 0.5535266E-17 GRAD(Rho)x 0.5315620E-17 GRAD(Rho)y -0.1238812E-17 GRAD(Rho)z -0.9212494E-18 Laplacian 0.1234916E-01 (-1/4)Del**2(Rho)) -0.3087290E-02 Diamond 0.1186371E-03 Metallicity 0.3723679E+00 Ellipticity -0.1274759E+01 Gb(Abramov) 0.2249795E-02 Vb(Abramov) -0.1412299E-02 Hb(Abramov) 0.8374954E-03 Ex_ueg -0.3371700E-03 Ec_ueg -0.6706209E-04 Delta_ex -0.5025757E-03 Delta_ec 0.2818170E-03 Delta_et -0.1372303E-02 Pxc 0.5027728E+01 Qxc -0.1783341E+01 3,+1 105 3 +3 0.048726 -0.063984 2.284928 Rho 0.4601314E-02 |GRAD(Rho)| 0.6917620E-15 GRAD(Rho)x 0.6873222E-15 GRAD(Rho)y -0.2866519E-16 GRAD(Rho)z 0.7280850E-16 Laplacian 0.1880093E-01 (-1/4)Del**2(Rho)) -0.4700233E-02 Diamond 0.1574393E-03 Metallicity 0.4665558E+00 Ellipticity -0.4139296E+00 Gb(Abramov) 0.3498975E-02 Vb(Abramov) -0.2297718E-02 Hb(Abramov) 0.1201257E-02 Ex_ueg -0.5652331E-03 Ec_ueg -0.1297963E-03 Delta_ex -0.6765516E-03 Delta_ec 0.1573875E-03 Delta_et -0.1010846E-02 Pxc 0.4354771E+01 Qxc -0.4298637E+01 3,+3 106 3 +1 0.188789 -0.186581 2.950140 Rho 0.5484570E-02 |GRAD(Rho)| 0.6292132E-14 GRAD(Rho)x -0.6193201E-14 GRAD(Rho)y -0.3398269E-15 GRAD(Rho)z 0.1058157E-14 Laplacian 0.2287687E-01 (-1/4)Del**2(Rho)) -0.5719217E-02 Diamond 0.5357172E-03 Metallicity 0.5137924E+00 Ellipticity -0.1974041E+01 Gb(Abramov) 0.4302559E-02 Vb(Abramov) -0.2885902E-02 Hb(Abramov) 0.1416657E-02 Ex_ueg -0.7143459E-03 Ec_ueg -0.1678251E-03 Delta_ex -0.1101868E-02 Delta_ec 0.6200843E-03 Delta_et -0.3502436E-02 Pxc 0.4256491E+01 Qxc -0.1776964E+01 3,+1 107 3 +1 0.527931 0.455384 1.649825 Rho 0.8066083E-02 |GRAD(Rho)| 0.2927297E-13 GRAD(Rho)x 0.2567008E-13 GRAD(Rho)y -0.7951866E-14 GRAD(Rho)z 0.1160695E-13 Laplacian 0.3189469E-01 (-1/4)Del**2(Rho)) -0.7973672E-02 Diamond 0.7956504E-03 Metallicity 0.7009160E+00 Ellipticity -0.1424215E+01 Gb(Abramov) 0.6247261E-02 Vb(Abramov) -0.4520849E-02 Hb(Abramov) 0.1726412E-02 Ex_ueg -0.1194727E-02 Ec_ueg -0.2811549E-03 Delta_ex -0.1440303E-02 Delta_ec 0.4606146E-03 Delta_et -0.3086942E-02 Pxc 0.4249355E+01 Qxc -0.3126915E+01 3,+1 108 3 +1 -0.609992 0.478598 -1.666299 Rho 0.9163588E-02 |GRAD(Rho)| 0.1514365E-16 GRAD(Rho)x -0.2103752E-18 GRAD(Rho)y 0.9512511E-17 GRAD(Rho)z -0.1178126E-16 Laplacian 0.3544628E-01 (-1/4)Del**2(Rho)) -0.8861570E-02 Diamond 0.1077152E-02 Metallicity 0.7801027E+00 Ellipticity -0.1535945E+01 Gb(Abramov) 0.7059869E-02 Vb(Abramov) -0.5258168E-02 Hb(Abramov) 0.1801701E-02 Ex_ueg -0.1416247E-02 Ec_ueg -0.3302666E-03 Delta_ex -0.1663354E-02 Delta_ec 0.5304299E-03 Delta_et -0.3659811E-02 Pxc 0.4288195E+01 Qxc -0.3135861E+01 3,+1 109 3 -1 -1.720414 0.528471 1.755522 Rho 0.4839236E-01 |GRAD(Rho)| 0.7630374E-16 GRAD(Rho)x -0.5417623E-16 GRAD(Rho)y -0.5369935E-16 GRAD(Rho)z 0.1891425E-17 Laplacian 0.1947049E+00 (-1/4)Del**2(Rho)) -0.4867622E-01 Diamond 0.9339139E-01 Metallicity 0.2274387E+01 Ellipticity 0.1378815E-01 Gb(Abramov) 0.5090224E-01 Vb(Abramov) -0.5312826E-01 Hb(Abramov) -0.2226020E-02 Ex_ueg -0.1302429E-01 Ec_ueg -0.2326204E-02 Delta_ex -0.1584951E-01 Delta_ec 0.5720805E-02 Delta_et -0.5978977E-01 Pxc 0.5598947E+01 Qxc -0.2770503E+01 3,-1 110 3 -1 -1.812787 0.478242 -2.850835 Rho 0.1212211E+00 |GRAD(Rho)| 0.5772588E-16 GRAD(Rho)x -0.5399327E-16 GRAD(Rho)y -0.2038978E-16 GRAD(Rho)z -0.1123166E-17 Laplacian 0.5003333E+00 (-1/4)Del**2(Rho)) -0.1250833E+00 Diamond 0.7851052E+00 Metallicity 0.4089318E+01 Ellipticity 0.1420151E-01 Gb(Abramov) 0.1686398E+00 Vb(Abramov) -0.2121963E+00 Hb(Abramov) -0.4355646E-01 Ex_ueg -0.4430874E-01 Ec_ueg -0.6627597E-02 Delta_ex -0.5102991E-01 Delta_ec 0.1336723E-01 Delta_et -0.1721187E+00 Pxc 0.6685491E+01 Qxc -0.3817538E+01 3,-1 111 3 +1 -0.376283 -1.130267 -2.751874 Rho 0.3405956E-02 |GRAD(Rho)| 0.3444448E-14 GRAD(Rho)x -0.1422044E-14 GRAD(Rho)y 0.2262812E-15 GRAD(Rho)z 0.3129027E-14 Laplacian 0.1367282E-01 (-1/4)Del**2(Rho)) -0.3418205E-02 Diamond 0.1386180E-03 Metallicity 0.3885856E+00 Ellipticity -0.1336143E+01 Gb(Abramov) 0.2500181E-02 Vb(Abramov) -0.1582157E-02 Hb(Abramov) 0.9180241E-03 Ex_ueg -0.3784749E-03 Ec_ueg -0.7897306E-04 Delta_ex -0.5523850E-03 Delta_ec 0.2872587E-03 Delta_et -0.1448920E-02 Pxc 0.4792456E+01 Qxc -0.1922953E+01 3,+1 112 3 -1 0.500598 -1.777153 1.694853 Rho 0.4408435E-01 |GRAD(Rho)| 0.1170529E-14 GRAD(Rho)x -0.2986174E-15 GRAD(Rho)y -0.9073430E-15 GRAD(Rho)z 0.6765318E-15 Laplacian 0.1831335E+00 (-1/4)Del**2(Rho)) -0.4578338E-01 Diamond 0.7977795E-01 Metallicity 0.2070075E+01 Ellipticity 0.1550221E-01 Gb(Abramov) 0.4631810E-01 Vb(Abramov) -0.4685281E-01 Hb(Abramov) -0.5347122E-03 Ex_ueg -0.1150176E-01 Ec_ueg -0.2090587E-02 Delta_ex -0.1468483E-01 Delta_ec 0.5602617E-02 Delta_et -0.5717539E-01 Pxc 0.5501690E+01 Qxc -0.2621065E+01 3,-1 113 3 +1 -0.241892 -2.365906 -1.108989 Rho 0.7671557E-02 |GRAD(Rho)| 0.1402023E-16 GRAD(Rho)x -0.1097014E-17 GRAD(Rho)y -0.1397722E-16 GRAD(Rho)z -0.2760543E-19 Laplacian 0.3043251E-01 (-1/4)Del**2(Rho)) -0.7608128E-02 Diamond 0.8926963E-03 Metallicity 0.6756906E+00 Ellipticity -0.1728447E+01 Gb(Abramov) 0.5928876E-02 Vb(Abramov) -0.4249623E-02 Hb(Abramov) 0.1679253E-02 Ex_ueg -0.1117454E-02 Ec_ueg -0.2636324E-03 Delta_ex -0.1453495E-02 Delta_ec 0.6114991E-03 Delta_et -0.3904400E-02 Pxc 0.4238682E+01 Qxc -0.2376937E+01 3,+1 114 3 -1 -0.605592 -2.773280 1.836457 Rho 0.1498500E+00 |GRAD(Rho)| 0.2871637E-15 GRAD(Rho)x -0.1504602E-15 GRAD(Rho)y -0.4356799E-16 GRAD(Rho)z 0.2406793E-15 Laplacian 0.6321282E+00 (-1/4)Del**2(Rho)) -0.1580320E+00 Diamond 0.1253621E+01 Metallicity 0.4608603E+01 Ellipticity 0.3741047E-01 Gb(Abramov) 0.2267392E+00 Vb(Abramov) -0.2954463E+00 Hb(Abramov) -0.6870714E-01 Ex_ueg -0.5878422E-01 Ec_ueg -0.8433913E-02 Delta_ex -0.6761009E-01 Delta_ec 0.1558221E-01 Delta_et -0.2063409E+00 Pxc 0.6969982E+01 Qxc -0.4338928E+01 3,-1 115 3 -1 -0.848753 2.004764 3.016780 Rho 0.1372540E+00 |GRAD(Rho)| 0.1702639E-13 GRAD(Rho)x -0.7515649E-14 GRAD(Rho)y -0.1345022E-13 GRAD(Rho)z -0.7246008E-14 Laplacian 0.5417886E+00 (-1/4)Del**2(Rho)) -0.1354471E+00 Diamond 0.9902064E+00 Metallicity 0.4645061E+01 Ellipticity 0.3454995E-01 Gb(Abramov) 0.1951581E+00 Vb(Abramov) -0.2548692E+00 Hb(Abramov) -0.5971100E-01 Ex_ueg -0.5228995E-01 Ec_ueg -0.7632646E-02 Delta_ex -0.5697170E-01 Delta_ec 0.1411639E-01 Delta_et -0.1856230E+00 Pxc 0.6850829E+01 Qxc -0.4035855E+01 3,-1 116 3 -1 -0.846607 2.990146 1.994961 Rho 0.1552887E+00 |GRAD(Rho)| 0.1238172E-13 GRAD(Rho)x -0.3948529E-14 GRAD(Rho)y -0.6985108E-14 GRAD(Rho)z -0.9429970E-14 Laplacian 0.6099511E+00 (-1/4)Del**2(Rho)) -0.1524878E+00 Diamond 0.1286555E+01 Metallicity 0.5068558E+01 Ellipticity 0.4402138E-01 Gb(Abramov) 0.2304740E+00 Vb(Abramov) -0.3084603E+00 Hb(Abramov) -0.7798626E-01 Ex_ueg -0.6164598E-01 Ec_ueg -0.8782920E-02 Delta_ex -0.6604523E-01 Delta_ec 0.1530795E-01 Delta_et -0.2046585E+00 Pxc 0.7018848E+01 Qxc -0.4314439E+01 3,-1 117 3 -1 -0.567956 -1.813013 2.790333 Rho 0.1171678E+00 |GRAD(Rho)| 0.2324596E-15 GRAD(Rho)x -0.6566877E-16 GRAD(Rho)y 0.2104640E-15 GRAD(Rho)z 0.7368848E-16 Laplacian 0.4831289E+00 (-1/4)Del**2(Rho)) -0.1207822E+00 Diamond 0.7205682E+00 Metallicity 0.4001570E+01 Ellipticity 0.5026941E-02 Gb(Abramov) 0.1610746E+00 Vb(Abramov) -0.2013669E+00 Hb(Abramov) -0.4029235E-01 Ex_ueg -0.4234440E-01 Ec_ueg -0.6376269E-02 Delta_ex -0.4877840E-01 Delta_ec 0.1283325E-01 Delta_et -0.1639807E+00 Pxc 0.6640936E+01 Qxc -0.3800939E+01 3,-1 118 3 -1 -0.266546 -1.284445 -3.389927 Rho 0.4286389E-02 |GRAD(Rho)| 0.1820802E-17 GRAD(Rho)x -0.4965954E-18 GRAD(Rho)y 0.4432079E-18 GRAD(Rho)z 0.1694781E-17 Laplacian 0.1649124E-01 (-1/4)Del**2(Rho)) -0.4122809E-02 Diamond 0.4866136E-03 Metallicity 0.4726206E+00 Ellipticity 0.1578542E+00 Gb(Abramov) 0.3073293E-02 Vb(Abramov) -0.2023778E-02 Hb(Abramov) 0.1049516E-02 Ex_ueg -0.5142495E-03 Ec_ueg -0.1163337E-03 Delta_ex -0.9945049E-03 Delta_ec 0.8733444E-03 Delta_et -0.4383153E-02 Pxc 0.4420470E+01 Qxc -0.1138732E+01 3,-1 119 3 -1 -0.082951 -3.217252 3.190557 Rho 0.2339131E+00 |GRAD(Rho)| 0.4217868E-15 GRAD(Rho)x 0.3306817E-17 GRAD(Rho)y 0.3472157E-15 GRAD(Rho)z -0.2394460E-15 Laplacian 0.8455898E+00 (-1/4)Del**2(Rho)) -0.2113974E+00 Diamond 0.2907797E+01 Metallicity 0.7236764E+01 Ellipticity 0.2895499E-02 Gb(Abramov) 0.3959039E+00 Vb(Abramov) -0.5804103E+00 Hb(Abramov) -0.1845064E+00 Ex_ueg -0.1064448E+00 Ec_ueg -0.1401936E-01 Delta_ex -0.1015276E+00 Delta_ec 0.1890271E-01 Delta_et -0.2619296E+00 Pxc 0.7592701E+01 Qxc -0.5371060E+01 3,-1 120 3 -1 -0.572072 -0.541009 -0.522780 Rho 0.1901281E+00 |GRAD(Rho)| 0.1846971E-15 GRAD(Rho)x 0.1040834E-16 GRAD(Rho)y 0.1214306E-15 GRAD(Rho)z -0.1387779E-15 Laplacian 0.5146113E+00 (-1/4)Del**2(Rho)) -0.1286528E+00 Diamond 0.1392539E+01 Metallicity 0.8418040E+01 Ellipticity 0.2408975E-01 Gb(Abramov) 0.2662693E+00 Vb(Abramov) -0.4038858E+00 Hb(Abramov) -0.1376165E+00 Ex_ueg -0.8074459E-01 Ec_ueg -0.1106012E-01 Delta_ex -0.5867850E-01 Delta_ec 0.1236256E-01 Delta_et -0.1694663E+00 Pxc 0.7300518E+01 Qxc -0.4746469E+01 3,-1 121 3 -1 0.405086 0.404971 -0.507329 Rho 0.1798794E+00 |GRAD(Rho)| 0.2714400E-14 GRAD(Rho)x -0.1592476E-14 GRAD(Rho)y -0.1564721E-14 GRAD(Rho)z 0.1543904E-14 Laplacian 0.4777032E+00 (-1/4)Del**2(Rho)) -0.1194258E+00 Diamond 0.1231184E+01 Metallicity 0.8268447E+01 Ellipticity 0.1923086E-02 Gb(Abramov) 0.2441949E+00 Vb(Abramov) -0.3689639E+00 Hb(Abramov) -0.1247691E+00 Ex_ueg -0.7499407E-01 Ec_ueg -0.1038294E-01 Delta_ex -0.5388409E-01 Delta_ec 0.1194924E-01 Delta_et -0.1637799E+00 Pxc 0.7222818E+01 Qxc -0.4509417E+01 3,-1 122 3 +3 -0.316912 -0.597080 -2.856445 Rho 0.3109950E-02 |GRAD(Rho)| 0.7509410E-17 GRAD(Rho)x 0.5290755E-17 GRAD(Rho)y -0.5304296E-17 GRAD(Rho)z 0.5134155E-18 Laplacian 0.1236597E-01 (-1/4)Del**2(Rho)) -0.3091492E-02 Diamond 0.1003668E-03 Metallicity 0.3692389E+00 Ellipticity -0.5444821E+00 Gb(Abramov) 0.2251245E-02 Vb(Abramov) -0.1410997E-02 Hb(Abramov) 0.8402476E-03 Ex_ueg -0.3352661E-03 Ec_ueg -0.6650563E-04 Delta_ex -0.4717778E-03 Delta_ec 0.2267566E-03 Delta_et -0.1134566E-02 Pxc 0.5041169E+01 Qxc -0.2080548E+01 3,+3 123 3 -1 -0.518958 0.415364 0.443092 Rho 0.1776123E+00 |GRAD(Rho)| 0.3055344E-13 GRAD(Rho)x 0.1617803E-13 GRAD(Rho)y -0.1831868E-13 GRAD(Rho)z -0.1833603E-13 Laplacian 0.4674341E+00 (-1/4)Del**2(Rho)) -0.1168585E+00 Diamond 0.1184768E+01 Metallicity 0.8273346E+01 Ellipticity 0.3309164E-02 Gb(Abramov) 0.2390408E+00 Vb(Abramov) -0.3612232E+00 Hb(Abramov) -0.1221823E+00 Ex_ueg -0.7373649E-01 Ec_ueg -0.1023395E-01 Delta_ex -0.5254505E-01 Delta_ec 0.1170611E-01 Delta_et -0.1601415E+00 Pxc 0.7205084E+01 Qxc -0.4488687E+01 3,-1 124 3 -1 0.847586 2.941111 -1.969810 Rho 0.1391660E+00 |GRAD(Rho)| 0.4985888E-15 GRAD(Rho)x 0.7047314E-18 GRAD(Rho)y 0.2311451E-15 GRAD(Rho)z 0.4417717E-15 Laplacian 0.5500240E+00 (-1/4)Del**2(Rho)) -0.1375060E+00 Diamond 0.1020285E+01 Metallicity 0.4682236E+01 Ellipticity 0.4009931E-01 Gb(Abramov) 0.1989766E+00 Vb(Abramov) -0.2604472E+00 Hb(Abramov) -0.6147060E-01 Ex_ueg -0.5326344E-01 Ec_ueg -0.7753630E-02 Delta_ex -0.5801233E-01 Delta_ec 0.1424727E-01 Delta_et -0.1876696E+00 Pxc 0.6869484E+01 Qxc -0.4071822E+01 3,-1 125 3 -1 1.714139 -0.587421 1.712509 Rho 0.3772825E-01 |GRAD(Rho)| 0.1237786E-13 GRAD(Rho)x 0.8270448E-14 GRAD(Rho)y 0.4171388E-14 GRAD(Rho)z 0.8210394E-14 Laplacian 0.1573667E+00 (-1/4)Del**2(Rho)) -0.3934168E-01 Diamond 0.5521101E-01 Metallicity 0.1858423E+01 Ellipticity 0.3736027E-01 Gb(Abramov) 0.3841337E-01 Vb(Abramov) -0.3748506E-01 Hb(Abramov) 0.9283115E-03 Ex_ueg -0.9345601E-02 Ec_ueg -0.1748711E-02 Delta_ex -0.1212643E-01 Delta_ec 0.4789161E-02 Delta_et -0.4685589E-01 Pxc 0.5344281E+01 Qxc -0.2532058E+01 3,-1 126 3 +1 0.469341 -0.779484 -1.755297 Rho 0.6117929E-02 |GRAD(Rho)| 0.1320529E-16 GRAD(Rho)x -0.7115240E-17 GRAD(Rho)y 0.2749547E-17 GRAD(Rho)z 0.1077929E-16 Laplacian 0.2389113E-01 (-1/4)Del**2(Rho)) -0.5972783E-02 Diamond 0.5469974E-03 Metallicity 0.5902698E+00 Ellipticity -0.1740225E+01 Gb(Abramov) 0.4569447E-02 Vb(Abramov) -0.3166112E-02 Hb(Abramov) 0.1403335E-02 Ex_ueg -0.8264013E-03 Ec_ueg -0.1953346E-03 Delta_ex -0.1105258E-02 Delta_ec 0.5193620E-03 Delta_et -0.3087980E-02 Pxc 0.4230696E+01 Qxc -0.2128106E+01 3,+1 127 3 +1 0.503490 1.675326 0.506069 Rho 0.7686279E-02 |GRAD(Rho)| 0.5845203E-17 GRAD(Rho)x 0.1923748E-17 GRAD(Rho)y 0.3220303E-17 GRAD(Rho)z -0.4482771E-17 Laplacian 0.3028717E-01 (-1/4)Del**2(Rho)) -0.7571792E-02 Diamond 0.6905621E-03 Metallicity 0.6811060E+00 Ellipticity -0.1384513E+01 Gb(Abramov) 0.5907393E-02 Vb(Abramov) -0.4242995E-02 Hb(Abramov) 0.1664398E-02 Ex_ueg -0.1120314E-02 Ec_ueg -0.2642850E-03 Delta_ex -0.1342428E-02 Delta_ec 0.4215198E-03 Delta_et -0.2802668E-02 Pxc 0.4239038E+01 Qxc -0.3184733E+01 3,+1 128 3 -1 -0.579428 1.764041 -2.755343 Rho 0.1499839E+00 |GRAD(Rho)| 0.1799958E-11 GRAD(Rho)x -0.1161892E-11 GRAD(Rho)y -0.1302421E-11 GRAD(Rho)z -0.4399504E-12 Laplacian 0.6411653E+00 (-1/4)Del**2(Rho)) -0.1602913E+00 Diamond 0.1289624E+01 Metallicity 0.4550411E+01 Ellipticity 0.1661361E-01 Gb(Abramov) 0.2284261E+00 Vb(Abramov) -0.2965609E+00 Hb(Abramov) -0.6813480E-01 Ex_ueg -0.5885424E-01 Ec_ueg -0.8442481E-02 Delta_ex -0.6875835E-01 Delta_ec 0.1609876E-01 Delta_et -0.2139122E+00 Pxc 0.6971202E+01 Qxc -0.4271033E+01 3,-1 129 3 +1 1.093111 -2.202418 1.321151 Rho 0.2889596E-01 |GRAD(Rho)| 0.1036165E-15 GRAD(Rho)x -0.2968648E-16 GRAD(Rho)y 0.9880729E-16 GRAD(Rho)z -0.9602927E-17 Laplacian 0.1182991E+00 (-1/4)Del**2(Rho)) -0.2957477E-01 Diamond 0.2003724E-01 Metallicity 0.1584992E+01 Ellipticity -0.6136603E+01 Gb(Abramov) 0.2752914E-01 Vb(Abramov) -0.2548351E-01 Hb(Abramov) 0.2045628E-02 Ex_ueg -0.6548893E-02 Ec_ueg -0.1286801E-02 Delta_ex -0.7752004E-02 Delta_ec 0.2191149E-02 Delta_et -0.2000817E-01 Pxc 0.5089281E+01 Qxc -0.3537872E+01 3,+1 130 3 -1 -0.537995 1.721224 1.729469 Rho 0.4480700E-01 |GRAD(Rho)| 0.5264806E-13 GRAD(Rho)x -0.3999167E-13 GRAD(Rho)y 0.5311674E-14 GRAD(Rho)z -0.3382708E-13 Laplacian 0.1806889E+00 (-1/4)Del**2(Rho)) -0.4517222E-01 Diamond 0.7788106E-01 Metallicity 0.2155716E+01 Ellipticity 0.3304966E-01 Gb(Abramov) 0.4634456E-01 Vb(Abramov) -0.4751690E-01 Hb(Abramov) -0.1172336E-02 Ex_ueg -0.1175383E-01 Ec_ueg -0.2129901E-02 Delta_ex -0.1441817E-01 Delta_ec 0.5296473E-02 Delta_et -0.5424267E-01 Pxc 0.5518488E+01 Qxc -0.2722222E+01 3,-1 131 3 -1 -0.568733 2.755050 -1.770823 Rho 0.1506569E+00 |GRAD(Rho)| 0.1847293E-15 GRAD(Rho)x 0.8776617E-16 GRAD(Rho)y -0.4882976E-16 GRAD(Rho)z 0.1550409E-15 Laplacian 0.6266047E+00 (-1/4)Del**2(Rho)) -0.1566512E+00 Diamond 0.1269120E+01 Metallicity 0.4691024E+01 Ellipticity 0.1262172E-01 Gb(Abramov) 0.2269099E+00 Vb(Abramov) -0.2971685E+00 Hb(Abramov) -0.7025868E-01 Ex_ueg -0.5920662E-01 Ec_ueg -0.8485575E-02 Delta_ex -0.6729073E-01 Delta_ec 0.1575073E-01 Delta_et -0.2094977E+00 Pxc 0.6977325E+01 Qxc -0.4272230E+01 3,-1 132 3 -1 0.030689 2.948039 -0.011218 Rho 0.5788650E-02 |GRAD(Rho)| 0.1322577E-16 GRAD(Rho)x 0.1317839E-16 GRAD(Rho)y -0.7535592E-18 GRAD(Rho)z -0.8265214E-18 Laplacian 0.2322651E-01 (-1/4)Del**2(Rho)) -0.5806628E-02 Diamond 0.7687216E-03 Metallicity 0.5536789E+00 Ellipticity 0.2326271E+01 Gb(Abramov) 0.4406920E-02 Vb(Abramov) -0.3007212E-02 Hb(Abramov) 0.1399708E-02 Ex_ueg -0.7676350E-03 Ec_ueg -0.1810079E-03 Delta_ex -0.1271641E-02 Delta_ec 0.8802417E-03 Delta_et -0.4936033E-02 Pxc 0.4240892E+01 Qxc -0.1444650E+01 3,-1 133 3 +1 2.139169 -1.241310 1.217107 Rho 0.2703388E-01 |GRAD(Rho)| 0.1018520E-15 GRAD(Rho)x 0.9064748E-16 GRAD(Rho)y -0.1912380E-16 GRAD(Rho)z 0.4232201E-16 Laplacian 0.1119563E+00 (-1/4)Del**2(Rho)) -0.2798907E-01 Diamond 0.1893760E-01 Metallicity 0.1498805E+01 Ellipticity -0.3329452E+02 Gb(Abramov) 0.2565107E-01 Vb(Abramov) -0.2331308E-01 Hb(Abramov) 0.2337994E-02 Ex_ueg -0.5992336E-02 Ec_ueg -0.1191652E-02 Delta_ex -0.7367765E-02 Delta_ec 0.2359242E-02 Delta_et -0.2114503E-01 Pxc 0.5028595E+01 Qxc -0.3122938E+01 3,+1 134 3 -1 -0.073029 3.146492 -3.170940 Rho 0.2447061E+00 |GRAD(Rho)| 0.1358275E-11 GRAD(Rho)x 0.2296537E-12 GRAD(Rho)y -0.9367173E-12 GRAD(Rho)z 0.9564158E-12 Laplacian 0.9042708E+00 (-1/4)Del**2(Rho)) -0.2260677E+00 Diamond 0.3256276E+01 Metallicity 0.7295517E+01 Ellipticity 0.2286304E-02 Gb(Abramov) 0.4255919E+00 Vb(Abramov) -0.6251161E+00 Hb(Abramov) -0.1995242E+00 Ex_ueg -0.1130433E+00 Ec_ueg -0.1476504E-01 Delta_ex -0.1097196E+00 Delta_ec 0.1969872E-01 Delta_et -0.2722940E+00 Pxc 0.7656146E+01 Qxc -0.5569886E+01 3,-1 135 3 +1 0.186155 2.938718 -0.165914 Rho 0.5750227E-02 |GRAD(Rho)| 0.2334289E-17 GRAD(Rho)x 0.2070306E-17 GRAD(Rho)y 0.2413501E-18 GRAD(Rho)z 0.1050947E-17 Laplacian 0.2387434E-01 (-1/4)Del**2(Rho)) -0.5968586E-02 Diamond 0.6442097E-03 Metallicity 0.5327091E+00 Ellipticity -0.2754773E+01 Gb(Abramov) 0.4508977E-02 Vb(Abramov) -0.3049368E-02 Hb(Abramov) 0.1459609E-02 Ex_ueg -0.7608489E-03 Ec_ueg -0.1793396E-03 Delta_ex -0.1198453E-02 Delta_ec 0.7136586E-03 Delta_et -0.4056842E-02 Pxc 0.4242502E+01 Qxc -0.1679309E+01 3,+1 136 3 -1 0.074186 3.212807 3.202483 Rho 0.2444189E+00 |GRAD(Rho)| 0.2511434E-14 GRAD(Rho)x -0.5412879E-15 GRAD(Rho)y -0.1554746E-14 GRAD(Rho)z -0.1896595E-14 Laplacian 0.8913516E+00 (-1/4)Del**2(Rho)) -0.2228379E+00 Diamond 0.3215331E+01 Metallicity 0.7386785E+01 Ellipticity 0.6208925E-02 Gb(Abramov) 0.4229012E+00 Vb(Abramov) -0.6229646E+00 Hb(Abramov) -0.2000633E+00 Ex_ueg -0.1128664E+00 Ec_ueg -0.1474512E-01 Delta_ex -0.1081713E+00 Delta_ec 0.1951794E-01 Delta_et -0.2702145E+00 Pxc 0.7654497E+01 Qxc -0.5542149E+01 3,-1 137 3 +1 1.742942 1.771607 1.742880 Rho 0.1234447E-01 |GRAD(Rho)| 0.1614554E-16 GRAD(Rho)x -0.1205393E-16 GRAD(Rho)y 0.1068687E-16 GRAD(Rho)z 0.1082528E-17 Laplacian 0.6193957E-01 (-1/4)Del**2(Rho)) -0.1548489E-01 Diamond 0.2567005E-02 Metallicity 0.7335543E+00 Ellipticity -0.1260940E+01 Gb(Abramov) 0.1221643E-01 Vb(Abramov) -0.8947968E-02 Hb(Abramov) 0.3268463E-02 Ex_ueg -0.2107083E-02 Ec_ueg -0.4754941E-03 Delta_ex -0.3063777E-02 Delta_ec 0.7974319E-03 Delta_et -0.6025838E-02 Pxc 0.4431354E+01 Qxc -0.3842055E+01 3,+1 138 3 +3 0.994725 -1.151505 -1.235732 Rho 0.4671517E-02 |GRAD(Rho)| 0.3312035E-17 GRAD(Rho)x 0.4593781E-18 GRAD(Rho)y 0.7329002E-18 GRAD(Rho)z -0.3197093E-17 Laplacian 0.1808422E-01 (-1/4)Del**2(Rho)) -0.4521055E-02 Diamond 0.1471569E-03 Metallicity 0.4974430E+00 Ellipticity -0.5140705E+00 Gb(Abramov) 0.3388864E-02 Vb(Abramov) -0.2256674E-02 Hb(Abramov) 0.1132190E-02 Ex_ueg -0.5767607E-03 Ec_ueg -0.1328043E-03 Delta_ex -0.6457671E-03 Delta_ec 0.1379031E-03 Delta_et -0.9094752E-03 Pxc 0.4342935E+01 Qxc -0.4682759E+01 3,+3 139 3 -1 -0.010368 -3.311788 -1.228720 Rho 0.2779220E-01 |GRAD(Rho)| 0.1891895E-14 GRAD(Rho)x -0.1822187E-14 GRAD(Rho)y -0.3945098E-15 GRAD(Rho)z -0.3213459E-15 Laplacian 0.8978870E-01 (-1/4)Del**2(Rho)) -0.2244717E-01 Diamond 0.3204042E-01 Metallicity 0.1957025E+01 Ellipticity 0.4580942E-02 Gb(Abramov) 0.2228640E-01 Vb(Abramov) -0.2212562E-01 Hb(Abramov) 0.1607774E-03 Ex_ueg -0.6217498E-02 Ec_ueg -0.1230299E-02 Delta_ex -0.7485385E-02 Delta_ec 0.4630766E-02 Delta_et -0.4146511E-01 Pxc 0.5053647E+01 Qxc -0.1616446E+01 3,-1 140 3 -1 0.499145 1.674875 -1.714477 Rho 0.5299486E-01 |GRAD(Rho)| 0.1179638E-15 GRAD(Rho)x -0.2972239E-17 GRAD(Rho)y -0.1094515E-15 GRAD(Rho)z -0.4389748E-16 Laplacian 0.2138431E+00 (-1/4)Del**2(Rho)) -0.5346077E-01 Diamond 0.1165849E+00 Metallicity 0.2409392E+01 Ellipticity 0.1234442E-01 Gb(Abramov) 0.5710851E-01 Vb(Abramov) -0.6075625E-01 Hb(Abramov) -0.3647739E-02 Ex_ueg -0.1470156E-01 Ec_ueg -0.2581075E-02 Delta_ex -0.1783275E-01 Delta_ec 0.6316264E-02 Delta_et -0.6760062E-01 Pxc 0.5695905E+01 Qxc -0.2823307E+01 3,-1 141 3 -1 0.854348 1.942705 -2.966605 Rho 0.1256465E+00 |GRAD(Rho)| 0.4599656E-15 GRAD(Rho)x 0.1219998E-15 GRAD(Rho)y 0.2624989E-15 GRAD(Rho)z 0.3574615E-15 Laplacian 0.4922800E+00 (-1/4)Del**2(Rho)) -0.1230700E+00 Diamond 0.8072845E+00 Metallicity 0.4412166E+01 Ellipticity 0.3256507E-01 Gb(Abramov) 0.1725476E+00 Vb(Abramov) -0.2220251E+00 Hb(Abramov) -0.4947755E-01 Ex_ueg -0.4647854E-01 Ec_ueg -0.6903294E-02 Delta_ex -0.5065135E-01 Delta_ec 0.1305939E-01 Delta_et -0.1692156E+00 Pxc 0.6732806E+01 Qxc -0.3878538E+01 3,-1 142 3 +1 1.267006 -1.169379 2.151689 Rho 0.2513961E-01 |GRAD(Rho)| 0.3063199E-14 GRAD(Rho)x 0.2771487E-14 GRAD(Rho)y -0.2953433E-15 GRAD(Rho)z -0.1270755E-14 Laplacian 0.1002567E+00 (-1/4)Del**2(Rho)) -0.2506418E-01 Diamond 0.1450168E-01 Metallicity 0.1482850E+01 Ellipticity -0.7086634E+01 Gb(Abramov) 0.2290386E-01 Vb(Abramov) -0.2074353E-01 Hb(Abramov) 0.2160325E-02 Ex_ueg -0.5439134E-02 Ec_ueg -0.1095746E-02 Delta_ex -0.6383590E-02 Delta_ec 0.1949241E-02 Delta_et -0.1717322E-01 Pxc 0.4963864E+01 Qxc -0.3274911E+01 3,+1 143 3 -1 0.406993 -0.538804 0.413456 Rho 0.1832925E+00 |GRAD(Rho)| 0.2912270E-15 GRAD(Rho)x 0.1422473E-15 GRAD(Rho)y -0.1977585E-15 GRAD(Rho)z 0.1595946E-15 Laplacian 0.4917399E+00 (-1/4)Del**2(Rho)) -0.1229350E+00 Diamond 0.1294224E+01 Metallicity 0.8288047E+01 Ellipticity 0.5101514E-02 Gb(Abramov) 0.2517718E+00 Vb(Abramov) -0.3806086E+00 Hb(Abramov) -0.1288368E+00 Ex_ueg -0.7689734E-01 Ec_ueg -0.1060779E-01 Delta_ex -0.5571333E-01 Delta_ec 0.1221218E-01 Delta_et -0.1676566E+00 Pxc 0.7249136E+01 Qxc -0.4562111E+01 3,-1 144 3 +1 1.312113 1.099445 -2.170036 Rho 0.2901715E-01 |GRAD(Rho)| 0.4459740E-16 GRAD(Rho)x 0.2377080E-16 GRAD(Rho)y 0.1932149E-17 GRAD(Rho)z -0.3768480E-16 Laplacian 0.1180787E+00 (-1/4)Del**2(Rho)) -0.2951968E-01 Diamond 0.2018018E-01 Metallicity 0.1599065E+01 Ellipticity -0.6799720E+01 Gb(Abramov) 0.2754710E-01 Vb(Abramov) -0.2557452E-01 Hb(Abramov) 0.1972578E-02 Ex_ueg -0.6585540E-02 Ec_ueg -0.1293023E-02 Delta_ex -0.7751952E-02 Delta_ec 0.2197366E-02 Delta_et -0.2008452E-01 Pxc 0.5093135E+01 Qxc -0.3527838E+01 3,+1 145 3 -1 0.844394 -3.005980 2.004668 Rho 0.1399569E+00 |GRAD(Rho)| 0.1781579E-12 GRAD(Rho)x -0.1350863E-12 GRAD(Rho)y 0.5226086E-13 GRAD(Rho)z 0.1037339E-12 Laplacian 0.5456223E+00 (-1/4)Del**2(Rho)) -0.1364056E+00 Diamond 0.1006339E+01 Metallicity 0.4764803E+01 Ellipticity 0.6864904E-01 Gb(Abramov) 0.1992613E+00 Vb(Abramov) -0.2621171E+00 Hb(Abramov) -0.6285575E-01 Ex_ueg -0.5366743E-01 Ec_ueg -0.7803744E-02 Delta_ex -0.5748878E-01 Delta_ec 0.1386614E-01 Delta_et -0.1822916E+00 Pxc 0.6877139E+01 Qxc -0.4145983E+01 3,-1 146 3 -1 1.176188 -2.305526 -1.999825 Rho 0.4460929E-01 |GRAD(Rho)| 0.5196262E-14 GRAD(Rho)x 0.3598739E-14 GRAD(Rho)y -0.8298790E-15 GRAD(Rho)z 0.3655341E-14 Laplacian 0.1228763E+00 (-1/4)Del**2(Rho)) -0.3071908E-01 Diamond 0.8195494E-01 Metallicity 0.3146689E+01 Ellipticity 0.1535593E-01 Gb(Abramov) 0.3658995E-01 Vb(Abramov) -0.4246083E-01 Hb(Abramov) -0.5870874E-02 Ex_ueg -0.1168473E-01 Ec_ueg -0.2119137E-02 Delta_ex -0.1126492E-01 Delta_ec 0.6227926E-02 Delta_et -0.6422200E-01 Pxc 0.5513913E+01 Qxc -0.1808776E+01 3,-1 147 3 +1 1.360890 2.115745 -1.068017 Rho 0.2807460E-01 |GRAD(Rho)| 0.7944821E-16 GRAD(Rho)x 0.8152001E-17 GRAD(Rho)y -0.7729385E-16 GRAD(Rho)z 0.1646891E-16 Laplacian 0.1103155E+00 (-1/4)Del**2(Rho)) -0.2757887E-01 Diamond 0.1650891E-01 Metallicity 0.1619941E+01 Ellipticity -0.3779599E+01 Gb(Abramov) 0.2583194E-01 Vb(Abramov) -0.2408501E-01 Hb(Abramov) 0.1746932E-02 Ex_ueg -0.6301875E-02 Ec_ueg -0.1244727E-02 Delta_ex -0.7038805E-02 Delta_ec 0.1802484E-02 Delta_et -0.1637428E-01 Pxc 0.5062856E+01 Qxc -0.3905058E+01 3,+1 148 3 -1 1.668441 -1.770542 0.455597 Rho 0.5044506E-01 |GRAD(Rho)| 0.1380521E-15 GRAD(Rho)x 0.1189196E-15 GRAD(Rho)y -0.6900862E-16 GRAD(Rho)z -0.1242216E-16 Laplacian 0.2017156E+00 (-1/4)Del**2(Rho)) -0.5042891E-01 Diamond 0.1032116E+00 Metallicity 0.2352726E+01 Ellipticity 0.9683222E-02 Gb(Abramov) 0.5339351E-01 Vb(Abramov) -0.5635811E-01 Hb(Abramov) -0.2964601E-02 Ex_ueg -0.1376607E-01 Ec_ueg -0.2439490E-02 Delta_ex -0.1662876E-01 Delta_ec 0.5988413E-02 Delta_et -0.6328651E-01 Pxc 0.5643011E+01 Qxc -0.2776823E+01 3,-1 149 3 -1 1.799614 0.536852 2.763949 Rho 0.1175566E+00 |GRAD(Rho)| 0.2802892E-13 GRAD(Rho)x 0.5214945E-15 GRAD(Rho)y -0.2715989E-13 GRAD(Rho)z 0.6905734E-14 Laplacian 0.4926290E+00 (-1/4)Del**2(Rho)) -0.1231573E+00 Diamond 0.7364904E+00 Metallicity 0.3946132E+01 Ellipticity 0.8216910E-02 Gb(Abramov) 0.1631040E+00 Vb(Abramov) -0.2030507E+00 Hb(Abramov) -0.3994672E-01 Ex_ueg -0.4253187E-01 Ec_ueg -0.6400330E-02 Delta_ex -0.4976061E-01 Delta_ec 0.1304643E-01 Delta_et -0.1667542E+00 Pxc 0.6645263E+01 Qxc -0.3814118E+01 3,-1 150 3 -1 2.773210 0.544342 1.831492 Rho 0.1168546E+00 |GRAD(Rho)| 0.4272275E-15 GRAD(Rho)x -0.4153003E-16 GRAD(Rho)y -0.2820416E-15 GRAD(Rho)z 0.3181998E-15 Laplacian 0.4875672E+00 (-1/4)Del**2(Rho)) -0.1218918E+00 Diamond 0.7267221E+00 Metallicity 0.3947498E+01 Ellipticity 0.1082305E-01 Gb(Abramov) 0.1614558E+00 Vb(Abramov) -0.2010198E+00 Hb(Abramov) -0.3956400E-01 Ex_ueg -0.4219357E-01 Ec_ueg -0.6356901E-02 Delta_ex -0.4922112E-01 Delta_ec 0.1300566E-01 Delta_et -0.1661800E+00 Pxc 0.6637443E+01 Qxc -0.3784592E+01 3,-1 151 3 -1 1.740578 0.515302 -1.742251 Rho 0.4267638E-01 |GRAD(Rho)| 0.3451285E-14 GRAD(Rho)x -0.7285430E-15 GRAD(Rho)y 0.2032605E-14 GRAD(Rho)z -0.2692417E-14 Laplacian 0.1699694E+00 (-1/4)Del**2(Rho)) -0.4249235E-01 Diamond 0.6811543E-01 Metallicity 0.2112946E+01 Ellipticity 0.2464213E-01 Gb(Abramov) 0.4329224E-01 Vb(Abramov) -0.4409213E-01 Hb(Abramov) -0.7998911E-03 Ex_ueg -0.1101459E-01 Ec_ueg -0.2014241E-02 Delta_ex -0.1337458E-01 Delta_ec 0.4941318E-02 Delta_et -0.4994886E-01 Pxc 0.5468359E+01 Qxc -0.2706682E+01 3,-1 152 3 +1 2.956067 -0.172196 0.218706 Rho 0.5307359E-02 |GRAD(Rho)| 0.3758638E-17 GRAD(Rho)x 0.1147862E-17 GRAD(Rho)y 0.1939478E-17 GRAD(Rho)z 0.3008022E-17 Laplacian 0.2197294E-01 (-1/4)Del**2(Rho)) -0.5493235E-02 Diamond 0.5109882E-03 Metallicity 0.5064336E+00 Ellipticity -0.2162199E+01 Gb(Abramov) 0.4125816E-02 Vb(Abramov) -0.2758398E-02 Hb(Abramov) 0.1367418E-02 Ex_ueg -0.6837380E-03 Ec_ueg -0.1601636E-03 Delta_ex -0.1067258E-02 Delta_ec 0.6242112E-03 Delta_et -0.3478412E-02 Pxc 0.4268997E+01 Qxc -0.1709770E+01 3,+1 153 3 -1 1.709009 1.702061 -0.522440 Rho 0.4019104E-01 |GRAD(Rho)| 0.1192748E-15 GRAD(Rho)x 0.8442420E-16 GRAD(Rho)y 0.8309563E-16 GRAD(Rho)z 0.1393412E-16 Laplacian 0.1582900E+00 (-1/4)Del**2(Rho)) -0.3957249E-01 Diamond 0.5819647E-01 Metallicity 0.2052935E+01 Ellipticity 0.1957041E-01 Gb(Abramov) 0.3992162E-01 Vb(Abramov) -0.4027074E-01 Hb(Abramov) -0.3491282E-03 Ex_ueg -0.1016773E-01 Ec_ueg -0.1880315E-02 Delta_ex -0.1225494E-01 Delta_ec 0.4576175E-02 Delta_et -0.4552031E-01 Pxc 0.5407460E+01 Qxc -0.2677988E+01 3,-1 154 3 -1 1.779925 -2.845098 -0.620230 Rho 0.2075139E+00 |GRAD(Rho)| 0.4944618E-15 GRAD(Rho)x 0.2785315E-15 GRAD(Rho)y 0.7060867E-16 GRAD(Rho)z 0.4024016E-15 Laplacian 0.8058643E+00 (-1/4)Del**2(Rho)) -0.2014661E+00 Diamond 0.2375267E+01 Metallicity 0.6219610E+01 Ellipticity 0.4110457E-02 Gb(Abramov) 0.3431508E+00 Vb(Abramov) -0.4848355E+00 Hb(Abramov) -0.1416847E+00 Ex_ueg -0.9073634E-01 Ec_ueg -0.1222242E-01 Delta_ex -0.9365319E-01 Delta_ec 0.1836044E-01 Delta_et -0.2516476E+00 Pxc 0.7423762E+01 Qxc -0.5100815E+01 3,-1 155 3 -1 1.959587 -3.007279 0.829328 Rho 0.1262277E+00 |GRAD(Rho)| 0.2976620E-15 GRAD(Rho)x 0.1366298E-15 GRAD(Rho)y 0.6036296E-16 GRAD(Rho)z 0.2574709E-15 Laplacian 0.4891860E+00 (-1/4)Del**2(Rho)) -0.1222965E+00 Diamond 0.8161322E+00 Metallicity 0.4474353E+01 Ellipticity 0.2630371E-01 Gb(Abramov) 0.1727306E+00 Vb(Abramov) -0.2231647E+00 Hb(Abramov) -0.5043412E-01 Ex_ueg -0.4676540E-01 Ec_ueg -0.6939598E-02 Delta_ex -0.5050737E-01 Delta_ec 0.1317492E-01 Delta_et -0.1712211E+00 Pxc 0.6738920E+01 Qxc -0.3833600E+01 3,-1 156 3 +1 1.875132 -1.785247 -1.733613 Rho 0.1426944E-01 |GRAD(Rho)| 0.1912238E-16 GRAD(Rho)x -0.9518764E-17 GRAD(Rho)y -0.1641094E-16 GRAD(Rho)z 0.2395702E-17 Laplacian 0.6709781E-01 (-1/4)Del**2(Rho)) -0.1677445E-01 Diamond 0.3420069E-02 Metallicity 0.8621503E+00 Ellipticity -0.1393457E+01 Gb(Abramov) 0.1359332E-01 Vb(Abramov) -0.1041218E-01 Hb(Abramov) 0.3181134E-02 Ex_ueg -0.2556196E-02 Ec_ueg -0.5653222E-03 Delta_ex -0.3455565E-02 Delta_ec 0.8748095E-03 Delta_et -0.6838257E-02 Pxc 0.4521663E+01 Qxc -0.3950077E+01 3,+1 157 3 +3 1.919281 -1.949755 1.965544 Rho 0.1190651E-01 |GRAD(Rho)| 0.3787977E-13 GRAD(Rho)x 0.3383759E-13 GRAD(Rho)y 0.1291646E-13 GRAD(Rho)z -0.1109323E-13 Laplacian 0.5555581E-01 (-1/4)Del**2(Rho)) -0.1388895E-01 Diamond 0.1470368E-02 Metallicity 0.7700599E+00 Ellipticity -0.9290421E+00 Gb(Abramov) 0.1104186E-01 Vb(Abramov) -0.8194759E-02 Hb(Abramov) 0.2847097E-02 Ex_ueg -0.2008003E-02 Ec_ueg -0.4552549E-03 Delta_ex -0.2511434E-02 Delta_ec 0.3394775E-03 Delta_et -0.2835142E-02 Pxc 0.4410723E+01 Qxc -0.7397940E+01 3,+3 158 3 -1 1.803035 2.793828 0.580063 Rho 0.1459603E+00 |GRAD(Rho)| 0.1996747E-15 GRAD(Rho)x -0.1834199E-15 GRAD(Rho)y 0.6922631E-16 GRAD(Rho)z 0.3787931E-16 Laplacian 0.6159263E+00 (-1/4)Del**2(Rho)) -0.1539816E+00 Diamond 0.1207596E+01 Metallicity 0.4526985E+01 Ellipticity 0.1108531E-01 Gb(Abramov) 0.2188331E+00 Vb(Abramov) -0.2836846E+00 Hb(Abramov) -0.6485152E-01 Ex_ueg -0.5675857E-01 Ec_ueg -0.8185419E-02 Delta_ex -0.6569984E-01 Delta_ec 0.1572761E-01 Delta_et -0.2085459E+00 Pxc 0.6934106E+01 Qxc -0.4177356E+01 3,-1 159 3 -1 1.993083 2.962037 -0.836314 Rho 0.1379654E+00 |GRAD(Rho)| 0.4701081E-14 GRAD(Rho)x 0.3005463E-14 GRAD(Rho)y -0.1029470E-14 GRAD(Rho)z 0.3465191E-14 Laplacian 0.5441529E+00 (-1/4)Del**2(Rho)) -0.1360382E+00 Diamond 0.9987265E+00 Metallicity 0.4664904E+01 Ellipticity 0.3210841E-01 Gb(Abramov) 0.1964597E+00 Vb(Abramov) -0.2568812E+00 Hb(Abramov) -0.6042146E-01 Ex_ueg -0.5265167E-01 Ec_ueg -0.7677637E-02 Delta_ex -0.5726993E-01 Delta_ec 0.1412055E-01 Delta_et -0.1857455E+00 Pxc 0.6857795E+01 Qxc -0.4055786E+01 3,-1 160 3 +1 1.991909 1.943382 -1.967642 Rho 0.1245876E-01 |GRAD(Rho)| 0.2169844E-15 GRAD(Rho)x -0.1161196E-15 GRAD(Rho)y -0.1320361E-15 GRAD(Rho)z 0.1271413E-15 Laplacian 0.5898376E-01 (-1/4)Del**2(Rho)) -0.1474594E-01 Diamond 0.1811999E-02 Metallicity 0.7822376E+00 Ellipticity -0.1039746E+01 Gb(Abramov) 0.1175310E-01 Vb(Abramov) -0.8760256E-02 Hb(Abramov) 0.2992842E-02 Ex_ueg -0.2133134E-02 Ec_ueg -0.4807881E-03 Delta_ex -0.2742285E-02 Delta_ec 0.4336946E-03 Delta_et -0.3531768E-02 Pxc 0.4436744E+01 Qxc -0.6323079E+01 3,+1 161 3 -1 1.963729 -0.862086 3.012598 Rho 0.1400495E+00 |GRAD(Rho)| 0.6526695E-12 GRAD(Rho)x 0.3571608E-12 GRAD(Rho)y 0.4465484E-12 GRAD(Rho)z -0.3146555E-12 Laplacian 0.5435336E+00 (-1/4)Del**2(Rho)) -0.1358834E+00 Diamond 0.1008561E+01 Metallicity 0.4788387E+01 Ellipticity 0.5235249E-01 Gb(Abramov) 0.1990326E+00 Vb(Abramov) -0.2621819E+00 Hb(Abramov) -0.6314925E-01 Ex_ueg -0.5371477E-01 Ec_ueg -0.7809612E-02 Delta_ex -0.5733557E-01 Delta_ec 0.1391367E-01 Delta_et -0.1831521E+00 Pxc 0.6878033E+01 Qxc -0.4120807E+01 3,-1 162 3 -1 1.942086 -0.600093 -2.815393 Rho 0.1543921E+00 |GRAD(Rho)| 0.1133793E-13 GRAD(Rho)x 0.7864830E-14 GRAD(Rho)y 0.8085275E-14 GRAD(Rho)z 0.1149559E-14 Laplacian 0.5908210E+00 (-1/4)Del**2(Rho)) -0.1477052E+00 Diamond 0.1261322E+01 Metallicity 0.5182416E+01 Ellipticity 0.1136473E+00 Gb(Abramov) 0.2260485E+00 Vb(Abramov) -0.3043918E+00 Hb(Abramov) -0.7834326E-01 Ex_ueg -0.6117187E-01 Ec_ueg -0.8725261E-02 Delta_ex -0.6411010E-01 Delta_ec 0.1525593E-01 Delta_et -0.2047859E+00 Pxc 0.7010893E+01 Qxc -0.4202306E+01 3,-1 163 3 +3 2.292620 -0.000388 0.033313 Rho 0.4412951E-02 |GRAD(Rho)| 0.2696871E-17 GRAD(Rho)x 0.8170765E-18 GRAD(Rho)y 0.2218601E-17 GRAD(Rho)z -0.1297425E-17 Laplacian 0.1804561E-01 (-1/4)Del**2(Rho)) -0.4511402E-02 Diamond 0.1439035E-03 Metallicity 0.4533743E+00 Ellipticity -0.3129722E+00 Gb(Abramov) 0.3348493E-02 Vb(Abramov) -0.2185585E-02 Hb(Abramov) 0.1162908E-02 Ex_ueg -0.5345938E-03 Ec_ueg -0.1217378E-03 Delta_ex -0.6436310E-03 Delta_ec 0.1532780E-03 Delta_et -0.9715037E-03 Pxc 0.4391353E+01 Qxc -0.4199108E+01 3,+3 164 3 -1 2.031306 0.839527 -2.993447 Rho 0.1502508E+00 |GRAD(Rho)| 0.2735065E-15 GRAD(Rho)x 0.2417229E-15 GRAD(Rho)y -0.1098297E-15 GRAD(Rho)z -0.6567555E-16 Laplacian 0.5893953E+00 (-1/4)Del**2(Rho)) -0.1473488E+00 Diamond 0.1201310E+01 Metallicity 0.4964795E+01 Ellipticity 0.4477067E-01 Gb(Abramov) 0.2201587E+00 Vb(Abramov) -0.2929685E+00 Hb(Abramov) -0.7280984E-01 Ex_ueg -0.5899396E-01 Ec_ueg -0.8459573E-02 Delta_ex -0.6336624E-01 Delta_ec 0.1502798E-01 Delta_et -0.2002831E+00 Pxc 0.6973634E+01 Qxc -0.4216552E+01 3,-1 165 3 -1 2.933987 -1.998945 0.820550 Rho 0.9639837E-01 |GRAD(Rho)| 0.1352741E-13 GRAD(Rho)x -0.7239269E-14 GRAD(Rho)y 0.1055222E-13 GRAD(Rho)z 0.4385727E-14 Laplacian 0.3822783E+00 (-1/4)Del**2(Rho)) -0.9556957E-01 Diamond 0.4540053E+00 Metallicity 0.3653280E+01 Ellipticity 0.4920769E-03 Gb(Abramov) 0.1219035E+00 Vb(Abramov) -0.1482373E+00 Hb(Abramov) -0.2633388E-01 Ex_ueg -0.3264460E-01 Ec_ueg -0.5107399E-02 Delta_ex -0.3692260E-01 Delta_ec 0.1071846E-01 Delta_et -0.1321365E+00 Pxc 0.6391628E+01 Qxc -0.3444768E+01 3,-1 166 3 -1 2.768375 -1.809472 -0.596005 Rho 0.1415392E+00 |GRAD(Rho)| 0.1108493E-13 GRAD(Rho)x -0.5548784E-14 GRAD(Rho)y 0.9504835E-14 GRAD(Rho)z -0.1320938E-14 Laplacian 0.5851093E+00 (-1/4)Del**2(Rho)) -0.1462773E+00 Diamond 0.1108383E+01 Metallicity 0.4527278E+01 Ellipticity 0.1086942E-01 Gb(Abramov) 0.2078912E+00 Vb(Abramov) -0.2695051E+00 Hb(Abramov) -0.6161391E-01 Ex_ueg -0.5447792E-01 Ec_ueg -0.7904117E-02 Delta_ex -0.6197548E-01 Delta_ec 0.1510807E-01 Delta_et -0.1995466E+00 Pxc 0.6892347E+01 Qxc -0.4102143E+01 3,-1 167 3 -1 3.199671 3.202639 0.094687 Rho 0.2459698E+00 |GRAD(Rho)| 0.7375203E-08 GRAD(Rho)x 0.5081253E-08 GRAD(Rho)y 0.5187107E-08 GRAD(Rho)z 0.1291670E-08 Laplacian 0.8897233E+00 (-1/4)Del**2(Rho)) -0.2224308E+00 Diamond 0.3240323E+01 Metallicity 0.7478731E+01 Ellipticity 0.2013253E-02 Gb(Abramov) 0.4255373E+00 Vb(Abramov) -0.6286438E+00 Hb(Abramov) -0.2031065E+00 Ex_ueg -0.1138223E+00 Ec_ueg -0.1485277E-01 Delta_ex -0.1081854E+00 Delta_ec 0.1950357E-01 Delta_et -0.2703274E+00 Pxc 0.7663377E+01 Qxc -0.5546953E+01 3,-1 168 3 -1 3.177918 0.027159 3.222136 Rho 0.2334390E+00 |GRAD(Rho)| 0.4886427E-15 GRAD(Rho)x 0.4768863E-15 GRAD(Rho)y -0.1954274E-16 GRAD(Rho)z 0.1047339E-15 Laplacian 0.8341416E+00 (-1/4)Del**2(Rho)) -0.2085354E+00 Diamond 0.2869553E+01 Metallicity 0.7311318E+01 Ellipticity 0.3978586E-02 Gb(Abramov) 0.3931350E+00 Vb(Abramov) -0.5777347E+00 Hb(Abramov) -0.1845996E+00 Ex_ueg -0.1061572E+00 Ec_ueg -0.1398675E-01 Delta_ex -0.1001450E+00 Delta_ec 0.1873792E-01 Delta_et -0.2599633E+00 Pxc 0.7589843E+01 Qxc -0.5344511E+01 3,-1 169 3 -1 3.031760 0.861244 -1.967472 Rho 0.1390201E+00 |GRAD(Rho)| 0.9899826E-15 GRAD(Rho)x -0.3801416E-15 GRAD(Rho)y -0.6050255E-15 GRAD(Rho)z -0.6852022E-15 Laplacian 0.5630729E+00 (-1/4)Del**2(Rho)) -0.1407682E+00 Diamond 0.1042274E+01 Metallicity 0.4565741E+01 Ellipticity 0.3168460E-01 Gb(Abramov) 0.2009640E+00 Vb(Abramov) -0.2611598E+00 Hb(Abramov) -0.6019579E-01 Ex_ueg -0.5318901E-01 Ec_ueg -0.7744391E-02 Delta_ex -0.5936354E-01 Delta_ec 0.1457124E-01 Delta_et -0.1918699E+00 Pxc 0.6868068E+01 Qxc -0.4074021E+01 3,-1 170 3 -1 3.156290 -3.221920 -0.105249 Rho 0.2394445E+00 |GRAD(Rho)| 0.3051342E-12 GRAD(Rho)x -0.2219014E-12 GRAD(Rho)y 0.2059432E-12 GRAD(Rho)z 0.3813178E-13 Laplacian 0.8850549E+00 (-1/4)Del**2(Rho)) -0.2212637E+00 Diamond 0.3108531E+01 Metallicity 0.7188711E+01 Ellipticity 0.1137880E-01 Gb(Abramov) 0.4126093E+00 Vb(Abramov) -0.6039549E+00 Hb(Abramov) -0.1913456E+00 Ex_ueg -0.1098141E+00 Ec_ueg -0.1440072E-01 Delta_ex -0.1067988E+00 Delta_ec 0.1944171E-01 Delta_et -0.2687372E+00 Pxc 0.7625599E+01 Qxc -0.5493284E+01 3,-1 171 3 -1 3.001737 1.985825 -0.812913 Rho 0.1426722E+00 |GRAD(Rho)| 0.3581470E-15 GRAD(Rho)x 0.1547563E-15 GRAD(Rho)y -0.1741093E-15 GRAD(Rho)z -0.2720399E-15 Laplacian 0.5658127E+00 (-1/4)Del**2(Rho)) -0.1414532E+00 Diamond 0.1084200E+01 Metallicity 0.4744305E+01 Ellipticity 0.2949077E-01 Gb(Abramov) 0.2061516E+00 Vb(Abramov) -0.2708501E+00 Hb(Abramov) -0.6469844E-01 Ex_ueg -0.5506015E-01 Ec_ueg -0.7976090E-02 Delta_ex -0.6007011E-01 Delta_ec 0.1462048E-01 Delta_et -0.1934195E+00 Pxc 0.6903151E+01 Qxc -0.4108627E+01 3,-1 172 3 -1 -3.010816 1.969083 0.891700 Rho 0.1377151E+00 |GRAD(Rho)| 0.1872521E-13 GRAD(Rho)x 0.1605415E-13 GRAD(Rho)y -0.9250941E-14 GRAD(Rho)z 0.2705112E-14 Laplacian 0.5341511E+00 (-1/4)Del**2(Rho)) -0.1335378E+00 Diamond 0.9847425E+00 Metallicity 0.4737887E+01 Ellipticity 0.3170595E-01 Gb(Abramov) 0.1944730E+00 Vb(Abramov) -0.2554082E+00 Hb(Abramov) -0.6093523E-01 Ex_ueg -0.5252430E-01 Ec_ueg -0.7661800E-02 Delta_ex -0.5626515E-01 Delta_ec 0.1399686E-01 Delta_et -0.1843305E+00 Pxc 0.6855347E+01 Qxc -0.4019840E+01 3,-1 173 3 -1 -2.764175 -0.531899 1.842678 Rho 0.1362327E+00 |GRAD(Rho)| 0.1127224E-11 GRAD(Rho)x 0.1825254E-12 GRAD(Rho)y 0.7071364E-12 GRAD(Rho)z 0.8586479E-12 Laplacian 0.5698552E+00 (-1/4)Del**2(Rho)) -0.1424638E+00 Diamond 0.1032153E+01 Metallicity 0.4361653E+01 Ellipticity 0.9129343E-02 Gb(Abramov) 0.1985388E+00 Vb(Abramov) -0.2546138E+00 Hb(Abramov) -0.5607502E-01 Ex_ueg -0.5177186E-01 Ec_ueg -0.7568124E-02 Delta_ex -0.5981407E-01 Delta_ec 0.1487351E-01 Delta_et -0.1953499E+00 Pxc 0.6840778E+01 Qxc -0.4021516E+01 3,-1 174 3 -1 -0.861528 -3.491300 -1.270687 Rho 0.3194889E+00 |GRAD(Rho)| 0.3691066E-12 GRAD(Rho)x -0.3083976E-12 GRAD(Rho)y -0.3482927E-13 GRAD(Rho)z 0.1997938E-12 Laplacian -0.1665002E+01 (-1/4)Del**2(Rho)) 0.4162506E+00 Diamond 0.5734307E+01 Metallicity -0.6179566E+01 Ellipticity 0.2702802E-02 Gb(Abramov) 0.1512076E+00 Vb(Abramov) -0.7186658E+00 Hb(Abramov) -0.5674582E+00 Ex_ueg -0.1613093E+00 Ec_ueg -0.2010742E-01 Delta_ex 0.1659687E+00 Delta_ec 0.5761375E-01 Delta_et -0.1368458E+01 Pxc 0.8022377E+01 Qxc 0.2880713E+01 3,-1 175 3 -1 0.561964 2.803299 1.800801 Rho 0.1376848E+00 |GRAD(Rho)| 0.1119112E-13 GRAD(Rho)x -0.7080667E-14 GRAD(Rho)y -0.2038144E-14 GRAD(Rho)z 0.8423262E-14 Laplacian 0.5765577E+00 (-1/4)Del**2(Rho)) -0.1441394E+00 Diamond 0.1059538E+01 Metallicity 0.4387805E+01 Ellipticity 0.1040647E-01 Gb(Abramov) 0.2015022E+00 Vb(Abramov) -0.2588650E+00 Hb(Abramov) -0.5736280E-01 Ex_ueg -0.5250894E-01 Ec_ueg -0.7659890E-02 Delta_ex -0.6069419E-01 Delta_ec 0.1504700E-01 Delta_et -0.1980291E+00 Pxc 0.6855052E+01 Qxc -0.4033640E+01 3,-1 176 3 -1 0.552767 1.813914 2.758425 Rho 0.1498698E+00 |GRAD(Rho)| 0.1697556E-11 GRAD(Rho)x -0.1099183E-11 GRAD(Rho)y 0.1246763E-11 GRAD(Rho)z -0.3450769E-12 Laplacian 0.6286078E+00 (-1/4)Del**2(Rho)) -0.1571519E+00 Diamond 0.1265654E+01 Metallicity 0.4635431E+01 Ellipticity 0.1313540E-01 Gb(Abramov) 0.2261791E+00 Vb(Abramov) -0.2952063E+00 Hb(Abramov) -0.6902719E-01 Ex_ueg -0.5879456E-01 Ec_ueg -0.8435178E-02 Delta_ex -0.6742341E-01 Delta_ec 0.1582996E-01 Delta_et -0.2104199E+00 Pxc 0.6970162E+01 Qxc -0.4259227E+01 3,-1 177 3 +3 1.961530 1.912698 -1.936657 Rho 0.1245675E-01 |GRAD(Rho)| 0.6197499E-17 GRAD(Rho)x 0.3742812E-17 GRAD(Rho)y -0.4768567E-17 GRAD(Rho)z -0.1288846E-17 Laplacian 0.5873142E-01 (-1/4)Del**2(Rho)) -0.1468286E-01 Diamond 0.1656314E-02 Metallicity 0.7853870E+00 Ellipticity -0.9548924E+00 Gb(Abramov) 0.1171052E-01 Vb(Abramov) -0.8738193E-02 Hb(Abramov) 0.2972331E-02 Ex_ueg -0.2132675E-02 Ec_ueg -0.4806949E-03 Delta_ex -0.2689868E-02 Delta_ec 0.3594210E-03 Delta_et -0.3023081E-02 Pxc 0.4436649E+01 Qxc -0.7483893E+01 3,+3 178 3 -1 0.809494 -1.996910 2.993681 Rho 0.1221351E+00 |GRAD(Rho)| 0.6160548E-12 GRAD(Rho)x 0.4287741E-12 GRAD(Rho)y 0.3504425E-12 GRAD(Rho)z 0.2699376E-12 Laplacian 0.4763477E+00 (-1/4)Del**2(Rho)) -0.1190869E+00 Diamond 0.7486540E+00 Metallicity 0.4349336E+01 Ellipticity 0.4151078E-01 Gb(Abramov) 0.1657161E+00 Vb(Abramov) -0.2123453E+00 Hb(Abramov) -0.4662921E-01 Ex_ueg -0.4475472E-01 Ec_ueg -0.6684424E-02 Delta_ex -0.4859755E-01 Delta_ec 0.1257316E-01 Delta_et -0.1618824E+00 Pxc 0.6695374E+01 Qxc -0.3865180E+01 3,-1 179 3 -1 2.833628 -0.547908 -1.795990 Rho 0.1350604E+00 |GRAD(Rho)| 0.1918319E-15 GRAD(Rho)x -0.1252694E-15 GRAD(Rho)y 0.7565021E-16 GRAD(Rho)z 0.1240327E-15 Laplacian 0.5557389E+00 (-1/4)Del**2(Rho)) -0.1389347E+00 Diamond 0.9939635E+00 Metallicity 0.4408485E+01 Ellipticity 0.1721523E-01 Gb(Abramov) 0.1947051E+00 Vb(Abramov) -0.2504754E+00 Hb(Abramov) -0.5577036E-01 Ex_ueg -0.5117871E-01 Ec_ueg -0.7494140E-02 Delta_ex -0.5818489E-01 Delta_ec 0.1448983E-01 Delta_et -0.1899636E+00 Pxc 0.6829164E+01 Qxc -0.4015567E+01 3,-1 180 3 -1 2.975455 -0.865921 2.017193 Rho 0.1623415E+00 |GRAD(Rho)| 0.6059663E-16 GRAD(Rho)x 0.2419126E-16 GRAD(Rho)y 0.2873136E-17 GRAD(Rho)z 0.5548405E-16 Laplacian 0.6316025E+00 (-1/4)Del**2(Rho)) -0.1579006E+00 Diamond 0.1392346E+01 Metallicity 0.5270907E+01 Ellipticity 0.6440478E-01 Gb(Abramov) 0.2439803E+00 Vb(Abramov) -0.3300600E+00 Hb(Abramov) -0.8607971E-01 Ex_ueg -0.6540705E-01 Ec_ueg -0.9238174E-02 Delta_ex -0.6903103E-01 Delta_ec 0.1546819E-01 Delta_et -0.2074505E+00 Pxc 0.7080084E+01 Qxc -0.4462774E+01 3,-1 181 3 -1 2.778169 1.810823 0.594791 Rho 0.1549528E+00 |GRAD(Rho)| 0.2423401E-13 GRAD(Rho)x -0.3981943E-14 GRAD(Rho)y 0.1935661E-13 GRAD(Rho)z -0.1402687E-13 Laplacian 0.6493895E+00 (-1/4)Del**2(Rho)) -0.1623474E+00 Diamond 0.1361263E+01 Metallicity 0.4743586E+01 Ellipticity 0.1541307E-01 Gb(Abramov) 0.2365830E+00 Vb(Abramov) -0.3108187E+00 Hb(Abramov) -0.7423566E-01 Ex_ueg -0.6146825E-01 Ec_ueg -0.8761312E-02 Delta_ex -0.7023105E-01 Delta_ec 0.1622279E-01 Delta_et -0.2166240E+00 Pxc 0.7015872E+01 Qxc -0.4329159E+01 3,-1 182 3 -1 3.301618 -0.001751 -3.190546 Rho 0.2449587E+00 |GRAD(Rho)| 0.7399887E-16 GRAD(Rho)x -0.7025630E-16 GRAD(Rho)y 0.3401684E-17 GRAD(Rho)z -0.2298509E-16 Laplacian 0.8890374E+00 (-1/4)Del**2(Rho)) -0.2222594E+00 Diamond 0.3216423E+01 Metallicity 0.7433291E+01 Ellipticity 0.2964224E-02 Gb(Abramov) 0.4235260E+00 Vb(Abramov) -0.6247926E+00 Hb(Abramov) -0.2012666E+00 Ex_ueg -0.1131989E+00 Ec_ueg -0.1478256E-01 Delta_ex -0.1079576E+00 Delta_ec 0.1946283E-01 Delta_et -0.2695061E+00 Pxc 0.7657594E+01 Qxc -0.5546858E+01 3,-1 183 3 -1 1.180335 -1.776533 -2.579621 Rho 0.3086955E+00 |GRAD(Rho)| 0.4098058E-10 GRAD(Rho)x -0.2713584E-10 GRAD(Rho)y -0.2932982E-10 GRAD(Rho)z -0.9100290E-11 Laplacian -0.1549677E+01 (-1/4)Del**2(Rho)) 0.3874192E+00 Diamond 0.5273171E+01 Metallicity -0.6269833E+01 Ellipticity 0.3738768E-02 Gb(Abramov) 0.1465628E+00 Vb(Abramov) -0.6805448E+00 Hb(Abramov) -0.5339820E+00 Ex_ueg -0.1540845E+00 Ec_ueg -0.1931726E-01 Delta_ex 0.1518262E+00 Delta_ec 0.5465702E-01 Delta_et -0.1276294E+01 Pxc 0.7976516E+01 Qxc 0.2777798E+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 79 112 117 114 178 145 119 143 120 121 123 140 128 131 141 124 134 130 176 175 115 116 136 148 166 154 165 155 170 153 181 158 171 159 167 96 83 99 172 100 87 65 85 63 84 93 62 56 81 110 69 101 77 109 173 103 76 90 75 125 150 149 180 161 168 151 179 162 169 164 182 97 89 72 118 183 132 146 139 174 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 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 36 52 27 52 53 53 2.402406 1.988950 1.887786 1.983314 1.928113 1.726305 1.705243 1.688631 1.713132 1.718650 2.346775 1.910220 1.911787 1.994976 1.953729 1.736074 2.412465 1.914038 1.945943 1.958344 1.911596 1.736664 2.365861 1.936599 1.798446 2.102482 1.993708 1.744400 2.462421 1.900326 1.922900 1.942917 1.957394 1.734418 2.388237 1.816052 1.973573 1.958650 2.024063 1.741963 2.326247 1.932041 2.016150 1.899421 1.934622 1.735430 2.378266 2.213998 1.971536 2.012567 1.740807 1.739181 2.384462 1.951090 1.902584 1.950917 1.938620 1.735960 2.464391 1.987844 1.986549 1.869247 1.927825 1.727373 2.436258 1.955662 1.917404 1.951519 1.923482 1.735971 3.197674 3.061266 3.199401 3.286994 1.005221 3.226085 1.705002 1.880309 0.996414 2.404167 1.989524 1.888455 1.984131 1.928882 1.726323 1.705258 1.688673 1.713154 1.718663 2.348327 1.910648 1.912277 1.995631 1.954362 1.736084 2.414464 1.914468 1.946294 1.958936 1.912189 1.736670 2.367481 1.936985 1.798541 2.103036 1.994319 1.744416 2.464064 1.900755 1.923335 1.943495 1.958038 1.734421 2.389737 1.816358 1.973897 1.959197 2.024626 1.741979 2.328454 1.932559 2.016609 1.900062 1.935982 1.735443 2.380722 2.214585 1.972040 2.013359 1.740849 1.739216 2.386080 1.951462 1.903123 1.951583 1.939232 1.735965 2.466065 1.988476 1.987237 1.869867 1.928519 1.727391 2.437730 1.956125 1.918776 1.952095 1.924098 1.735974 3.244843 3.067084 3.213945 3.291725 1.005316 3.232045 1.710070 1.881217 0.996539 30 26 26 23 25 23 23 22 21 22 30 27 27 26 28 23 31 23 23 27 27 24 28 25 26 27 25 22 29 23 27 23 26 20 30 24 26 23 27 24 30 27 27 28 27 22 30 28 26 27 24 24 30 23 27 27 28 22 31 25 25 23 25 21 28 23 27 23 25 20 35 35 35 35 18 35 24 26 20 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 W W W W W W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.3423 2.4922 2.4943 2.4953 2.4086 2.4983 2.4784 2.4644 2.2581 2.4872 2.3257 2.4726 -1.1231 -1.0292 -1.1260 -1.1273 -0.9548 -0.9725 -0.9081 -0.9299 -0.7653 -0.9311 -0.9462 -0.9247 -0.9583 -0.9159 -0.9575 -0.8904 -0.9016 -0.9481 -0.9665 -0.9690 -0.9015 -0.9629 -0.9644 -0.7013 -0.7807 -0.9690 -0.9303 -0.9664 -0.7025 -0.7811 -0.7764 -0.7847 -0.8007 -0.7786 -0.7993 -0.7711 -0.7293 -0.7800 -0.7093 0.2941 0.3236 1.9418 0.8257 2.0876 2.0826 2.1144 2.0815 2.0873 2.1091 1.9992 2.0843 1.9546 2.0943 1.9379 1.9490 1.9346 1.9323 1.9326 1.9313 1.9458 1.9357 1.8777 1.9356 1.9349 1.9358 1.9326 1.9390 1.9330 1.9608 1.9527 1.9443 1.9430 1.9435 1.9472 1.9440 1.9434 1.9741 1.8805 1.9438 1.9479 1.9433 1.9783 1.9660 1.9678 1.9664 1.9637 1.9682 1.9644 1.9677 1.9727 1.9671 1.9776 0.5449 0.5376 6.0750 1.1328 6.0863 6.0820 6.1082 6.0839 6.0838 6.0997 6.0811 6.0852 6.0775 6.1000 5.1473 5.0429 5.1539 5.1573 4.9923 5.0113 4.9324 4.9662 4.8557 4.9685 4.9838 4.9606 4.9955 4.9485 4.9940 4.8965 4.9205 4.9736 4.9914 4.9936 4.9266 4.9878 4.9884 4.6953 4.8691 4.9947 4.9531 4.9916 4.6902 4.7792 4.7725 4.7824 4.8023 4.7741 4.7998 4.7673 4.7247 4.7769 4.6979 0.1610 0.1387 3.6408 10.5494 3.3025 3.3107 3.3401 3.3071 3.3214 3.2978 3.6615 3.3139 3.6421 3.3043 0.0379 0.0373 0.0375 0.0377 0.0298 0.0299 0.0299 0.0281 0.0319 0.0270 0.0274 0.0283 0.0302 0.0284 0.0305 0.0332 0.0284 0.0303 0.0321 0.0319 0.0277 0.0311 0.0326 0.0319 0.0311 0.0305 0.0293 0.0315 0.0339 0.0359 0.0361 0.0359 0.0347 0.0363 0.0350 0.0361 0.0319 0.0360 0.0338 0.0000 0.0000 0.0000 0.0000 14.0293 14.0294 14.0287 14.0293 14.0292 14.0290 0.0000 14.0294 0.0000 14.0289 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 W W W W W W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 3.176170 2.317572 2.517169 2.513044 2.485738 2.513125 2.497988 2.529458 3.154494 2.512909 3.175532 2.513881 -1.167696 -1.072440 -1.096764 -1.100064 -0.957163 -0.963351 -1.002502 -1.060031 -0.618287 -1.066712 -1.068997 -1.058985 -0.960236 -1.077797 -0.956078 -0.769200 -1.062595 -1.035637 -0.942482 -0.944624 -1.157461 -0.935004 -0.940966 -0.973263 -0.595440 -0.949357 -1.055295 -0.941213 -0.971769 -0.818512 -0.808365 -0.817902 -0.840304 -0.809292 -0.836194 -0.800794 -1.001337 -0.812004 -0.979916 0.049646 0.069302 2.365936 1.704080 1.946726 1.943277 1.919256 1.942705 1.932502 1.963991 2.344777 1.940838 2.367009 1.942415 -0.849416 -0.776794 -0.751213 -0.755401 -0.710384 -0.727461 -0.806933 -0.820198 -0.740445 -0.820546 -0.815055 -0.819239 -0.727554 -0.821351 -0.718551 -0.632592 -0.869041 -0.843996 -0.760952 -0.773845 -0.939390 -0.756054 -0.766605 -0.763175 -0.763238 -0.788875 -0.856983 -0.769797 -0.740395 -0.704961 -0.703403 -0.713823 -0.730071 -0.704546 -0.731918 -0.679623 -0.786672 -0.706917 -0.748914 0.278484 0.304329 2.452826 1.668396 2.048074 2.044670 2.010694 2.045612 2.029314 2.065910 2.434405 2.041727 2.454283 2.043815 -0.867848 -0.824795 -0.803211 -0.810481 -0.800909 -0.814063 -0.860283 -0.898429 -0.783697 -0.902367 -0.905738 -0.886449 -0.802303 -0.926271 -0.796822 -0.736881 -0.900549 -0.882052 -0.802822 -0.814149 -0.974319 -0.800744 -0.794295 -0.749867 -0.784580 -0.821173 -0.910771 -0.808392 -0.698115 -0.686581 -0.671507 -0.681692 -0.692427 -0.670832 -0.700109 -0.658417 -0.778391 -0.674134 -0.710911 0.363205 0.384447 2.01320902 -3.02343762 0.00992275 3.63239371 -16.07173523 5.04683480 -0.90676802 7.65994449 7.33112067 8.41179074 -372.1684 410.3590 -78.2603 -380.8626 -29.4200 -450.3524 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:16 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.96486792 -16.38279405 -16.17749707 -16.29200309 -16.45004856 -16.48561389 -16.52590924 -16.52990408 -16.53026139 -16.53261804 -16.53517367 -16.53635232 -16.53807778 -16.54121906 -16.54409798 -16.54455400 -16.54689932 -16.54849254 -16.54946335 -16.54967713 -16.54977655 -16.54996541 -16.55001656 -16.55005602 -16.55007222 -16.55008414 -16.55010024 -16.55011078 -16.55012271 -16.55013063 -16.55013650 -16.55014523 GEOMETRY CONVERGED