ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 00:18:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.37 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 00:18:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.64 0.02 0.70 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 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 0 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 00:18:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 0 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 00:18:17 Hydrogen (TZP) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.19 0.03 1.26 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 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 0 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 00:18:17 Nodes: 1 Procs: 1 Mar06-2024 00:18:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 00:18:19 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2920.9776000000056 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Mar06-2024 00:18:17 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar06-2024 00:18:16 1 1 Oxygen TZP 1s t21.As ADF 2019 Mar06-2024 00:18:15 1 1 Arsenic TZP 3p t21.H ADF 2019 Mar06-2024 00:18:14 1 1 Hydrogen TZP 1 1 -16.77732531 0.18063045 0.00100000 F 0.04681283 0.00066667 F 0.18063045 0.04681283 0.06229226 0.01000000 F 0.01989431 0.00666667 F Cartesian 2920.9776000000056 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.825 -7.815 -7.646 -7.613 -7.608 -7.601 -7.588 -7.584 -7.295 -7.289 -4.581 -4.546 -4.231 -4.208 -4.148 -4.087 -3.853 -3.521 -3.516 -3.494 A A A A A A A A A A A A A A A A A A A A 0.00000000066902 0.00053002437821 0.00036319341966 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 74 74 74 74 74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 33 1 0.100541 -2.548143 2.554684 -0.090604 -2.566631 -2.549327 0.146600 2.544509 -2.575973 -0.085356 2.544658 2.563223 2.556815 -2.565891 0.117557 2.560243 2.553421 -0.108245 -2.503618 2.521106 0.095510 -2.556758 -2.544342 -0.110988 -2.524154 -0.134354 -2.587987 -2.557744 0.106348 2.555471 2.564039 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3.747469 0.211317 -3.774246 3.826330 -0.228033 -3.757428 -3.734715 0.199345 -3.735022 0.230154 -3.751240 -3.763539 -0.193178 3.741943 3.758499 0.203565 3.748213 3.763745 -0.229073 -3.740610 0.003968 0.003545 -0.019326 -4.397058 3.818375 -0.987553 1 3 -3 0.100541 -2.548143 2.554684 Rho 0.4361414E+07 3,-3 2 3 -3 -0.090604 -2.566631 -2.549327 Rho 0.4361414E+07 3,-3 3 3 -3 0.146600 2.544509 -2.575973 Rho 0.4361414E+07 3,-3 4 3 -3 -0.085356 2.544658 2.563223 Rho 0.4361414E+07 3,-3 5 3 -3 2.556815 -2.565891 0.117557 Rho 0.4361414E+07 3,-3 6 3 -3 2.560243 2.553421 -0.108245 Rho 0.4361414E+07 3,-3 7 3 -3 -2.503618 2.521106 0.095510 Rho 0.4361413E+07 3,-3 8 3 -3 -2.556758 -2.544342 -0.110988 Rho 0.4361414E+07 3,-3 9 3 -3 -2.524154 -0.134354 -2.587987 Rho 0.4361414E+07 3,-3 10 3 -3 -2.557744 0.106348 2.555471 Rho 0.4361414E+07 3,-3 11 3 -3 2.564039 -0.112622 2.553673 Rho 0.4361414E+07 3,-3 12 3 -3 2.569596 0.091422 -2.546553 Rho 0.4361414E+07 3,-3 13 3 -3 0.965505 -0.962462 0.978895 Rho 0.3190310E+03 3,-3 14 3 -3 -0.973690 -0.975831 -0.990956 Rho 0.3190230E+03 3,-3 15 3 -3 0.987647 0.978535 -0.988066 Rho 0.3190236E+03 3,-3 16 3 -3 -0.990973 0.997733 0.939224 Rho 0.3190152E+03 3,-3 17 3 -3 -3.000310 -1.140062 1.148704 Rho 0.3188734E+03 3,-3 18 3 -3 2.997829 -1.162651 -1.150097 Rho 0.3188713E+03 3,-3 19 3 -3 -2.963818 1.166372 -1.116355 Rho 0.3189450E+03 3,-3 20 3 -3 2.993570 1.150796 1.153467 Rho 0.3188715E+03 3,-3 21 3 -3 1.147548 -1.149095 -2.994713 Rho 0.3188731E+03 3,-3 22 3 -3 1.156382 1.160390 3.009131 Rho 0.3188739E+03 3,-3 23 3 -3 -1.142285 1.153234 -2.980892 Rho 0.3188673E+03 3,-3 24 3 -3 -1.159290 -1.139541 2.998412 Rho 0.3188721E+03 3,-3 25 3 -3 -1.131551 2.983827 -1.129014 Rho 0.3189125E+03 3,-3 26 3 -3 -1.156471 -2.984913 1.146901 Rho 0.3188716E+03 3,-3 27 3 -3 1.148201 2.994345 1.146171 Rho 0.3188737E+03 3,-3 28 3 -3 1.154330 -3.005869 -1.152457 Rho 0.3188710E+03 3,-3 29 3 -3 3.408136 -1.515943 1.513674 Rho 0.3189854E+03 3,-3 30 3 -3 -3.404311 -1.485653 -1.516204 Rho 0.3189899E+03 3,-3 31 3 -3 3.410617 1.508264 -1.515268 Rho 0.3189882E+03 3,-3 32 3 -3 -3.387492 1.527267 1.489354 Rho 0.3190084E+03 3,-3 33 3 -3 1.507158 -1.505504 3.403191 Rho 0.3189876E+03 3,-3 34 3 -3 1.524825 1.510355 -3.422962 Rho 0.3189921E+03 3,-3 35 3 -3 -1.510198 1.521316 3.390907 Rho 0.3189843E+03 3,-3 36 3 -3 -1.513326 -1.516171 -3.432597 Rho 0.3189939E+03 3,-3 37 3 -3 -1.518732 -3.394674 -1.523743 Rho 0.3189879E+03 3,-3 38 3 -3 -1.519626 3.386888 1.475308 Rho 0.3190259E+03 3,-3 39 3 -3 1.505641 -3.404148 1.514334 Rho 0.3189866E+03 3,-3 40 3 -3 1.520623 3.409124 -1.518383 Rho 0.3189905E+03 3,-3 41 3 -3 -0.220205 -3.740033 3.750832 Rho 0.3194341E+03 3,-3 42 3 -3 0.225066 -3.761023 -3.744161 Rho 0.3194355E+03 3,-3 43 3 -3 -0.201190 3.747513 -3.752832 Rho 0.3194396E+03 3,-3 44 3 -3 0.208130 3.762030 3.738927 Rho 0.3194437E+03 3,-3 45 3 -3 3.749000 -3.762413 -0.197481 Rho 0.3194370E+03 3,-3 46 3 -3 3.754860 3.747469 0.211317 Rho 0.3194330E+03 3,-3 47 3 -3 -3.774246 3.826330 -0.228033 Rho 0.3186888E+03 3,-3 48 3 -3 -3.757428 -3.734715 0.199345 Rho 0.3194331E+03 3,-3 49 3 -3 -3.735022 0.230154 -3.751240 Rho 0.3194434E+03 3,-3 50 3 -3 -3.763539 -0.193178 3.741943 Rho 0.3194398E+03 3,-3 51 3 -3 3.758499 0.203565 3.748213 Rho 0.3194354E+03 3,-3 52 3 -3 3.763745 -0.229073 -3.740610 Rho 0.3194343E+03 3,-3 53 3 -3 0.003968 0.003545 -0.019326 Rho 0.4276078E+05 3,-3 54 3 -3 -4.397058 3.818375 -0.987553 Rho 0.4409014E+00 3,-3 55 3 -1 -3.207441 -3.189458 0.056557 Rho 0.2564437E+00 |GRAD(Rho)| 0.3301227E-15 GRAD(Rho)x -0.1845312E-15 GRAD(Rho)y -0.1560167E-15 GRAD(Rho)z 0.2249177E-15 Laplacian 0.9267542E+00 (-1/4)Del**2(Rho)) -0.2316885E+00 Diamond 0.3536940E+01 Metallicity 0.7696654E+01 Ellipticity 0.1235846E-02 Gb(Abramov) 0.4516635E+00 Vb(Abramov) -0.6716384E+00 Hb(Abramov) -0.2199749E+00 Ex_ueg -0.1203301E+00 Ec_ueg -0.1558322E-01 Delta_ex -0.1138699E+00 Delta_ec 0.1995515E-01 Delta_et -0.2763283E+00 Pxc 0.7721777E+01 Qxc -0.5706293E+01 3,-1 56 3 +3 -2.311136 -0.031321 -0.028948 Rho 0.4897505E-02 |GRAD(Rho)| 0.8593351E-17 GRAD(Rho)x -0.2678885E-17 GRAD(Rho)y 0.5401738E-17 GRAD(Rho)z -0.6122948E-17 Laplacian 0.2032209E-01 (-1/4)Del**2(Rho)) -0.5080522E-02 Diamond 0.1982047E-03 Metallicity 0.4789274E+00 Ellipticity -0.3580541E+00 Gb(Abramov) 0.3792548E-02 Vb(Abramov) -0.2504574E-02 Hb(Abramov) 0.1287974E-02 Ex_ueg -0.6142591E-03 Ec_ueg -0.1425047E-03 Delta_ex -0.7556111E-03 Delta_ec 0.1922177E-03 Delta_et -0.1218842E-02 Pxc 0.4310448E+01 Qxc -0.3931018E+01 3,+3 57 3 -1 -2.987666 -1.969576 -0.857387 Rho 0.1392808E+00 |GRAD(Rho)| 0.2706261E-13 GRAD(Rho)x 0.2307773E-13 GRAD(Rho)y 0.1370738E-13 GRAD(Rho)z -0.3451259E-14 Laplacian 0.5483555E+00 (-1/4)Del**2(Rho)) -0.1370889E+00 Diamond 0.1020846E+01 Metallicity 0.4702942E+01 Ellipticity 0.3117352E-01 Gb(Abramov) 0.1988461E+00 Vb(Abramov) -0.2606033E+00 Hb(Abramov) -0.6175721E-01 Ex_ueg -0.5332203E-01 Ec_ueg -0.7760901E-02 Delta_ex -0.5787706E-01 Delta_ec 0.1425317E-01 Delta_et -0.1878782E+00 Pxc 0.6870597E+01 Qxc -0.4060644E+01 3,-1 58 3 -1 -1.992263 -2.977344 -0.861170 Rho 0.1408526E+00 |GRAD(Rho)| 0.2014121E-13 GRAD(Rho)x -0.1092111E-13 GRAD(Rho)y 0.7872555E-14 GRAD(Rho)z 0.1498067E-13 Laplacian 0.5552213E+00 (-1/4)Del**2(Rho)) -0.1388053E+00 Diamond 0.1046881E+01 Metallicity 0.4732474E+01 Ellipticity 0.3294027E-01 Gb(Abramov) 0.2020190E+00 Vb(Abramov) -0.2652326E+00 Hb(Abramov) -0.6321366E-01 Ex_ueg -0.5412585E-01 Ec_ueg -0.7860542E-02 Delta_ex -0.5875352E-01 Delta_ec 0.1437735E-01 Delta_et -0.1898071E+00 Pxc 0.6885765E+01 Qxc -0.4086533E+01 3,-1 59 3 +3 0.011040 0.004286 -2.318872 Rho 0.4943285E-02 |GRAD(Rho)| 0.8682204E-16 GRAD(Rho)x -0.6842989E-17 GRAD(Rho)y -0.1912601E-16 GRAD(Rho)z 0.8441229E-16 Laplacian 0.2015489E-01 (-1/4)Del**2(Rho)) -0.5038722E-02 Diamond 0.1982857E-03 Metallicity 0.4904470E+00 Ellipticity -0.3073961E+00 Gb(Abramov) 0.3771019E-02 Vb(Abramov) -0.2503316E-02 Hb(Abramov) 0.1267703E-02 Ex_ueg -0.6219267E-03 Ec_ueg -0.1444729E-03 Delta_ex -0.7504397E-03 Delta_ec 0.1893088E-03 Delta_et -0.1204869E-02 Pxc 0.4304798E+01 Qxc -0.3964104E+01 3,+3 60 3 +1 1.739084 1.738611 1.742447 Rho 0.1247252E-01 |GRAD(Rho)| 0.2861202E-16 GRAD(Rho)x 0.1981107E-16 GRAD(Rho)y -0.1969794E-16 GRAD(Rho)z -0.6177417E-17 Laplacian 0.6331099E-01 (-1/4)Del**2(Rho)) -0.1582775E-01 Diamond 0.2659463E-02 Metallicity 0.7301150E+00 Ellipticity -0.1243232E+01 Gb(Abramov) 0.1247785E-01 Vb(Abramov) -0.9127942E-02 Hb(Abramov) 0.3349903E-02 Ex_ueg -0.2136277E-02 Ec_ueg -0.4814261E-03 Delta_ex -0.3139688E-02 Delta_ec 0.8142044E-03 Delta_et -0.6168707E-02 Pxc 0.4437393E+01 Qxc -0.3856142E+01 3,+1 61 3 -1 -1.807887 -2.762824 0.558501 Rho 0.1419068E+00 |GRAD(Rho)| 0.4343557E-15 GRAD(Rho)x -0.1916598E-15 GRAD(Rho)y 0.1431553E-15 GRAD(Rho)z -0.3625437E-15 Laplacian 0.5982989E+00 (-1/4)Del**2(Rho)) -0.1495747E+00 Diamond 0.1134128E+01 Metallicity 0.4446660E+01 Ellipticity 0.9161478E-02 Gb(Abramov) 0.2105678E+00 Vb(Abramov) -0.2715609E+00 Hb(Abramov) -0.6099307E-01 Ex_ueg -0.5466670E-01 Ec_ueg -0.7927465E-02 Delta_ex -0.6338284E-01 Delta_ec 0.1538566E-01 Delta_et -0.2031790E+00 Pxc 0.6895861E+01 Qxc -0.4119604E+01 3,-1 62 3 +1 -0.536290 -1.649494 0.522756 Rho 0.9017601E-02 |GRAD(Rho)| 0.7739650E-16 GRAD(Rho)x 0.6301484E-16 GRAD(Rho)y 0.4168207E-16 GRAD(Rho)z 0.1679146E-16 Laplacian 0.3504428E-01 (-1/4)Del**2(Rho)) -0.8761069E-02 Diamond 0.9948563E-03 Metallicity 0.7682120E+00 Ellipticity -0.1463639E+01 Gb(Abramov) 0.6962439E-02 Vb(Abramov) -0.5163809E-02 Hb(Abramov) 0.1798630E-02 Ex_ueg -0.1386244E-02 Ec_ueg -0.3237032E-03 Delta_ex -0.1617964E-02 Delta_ec 0.4889001E-03 Delta_et -0.3385920E-02 Pxc 0.4282454E+01 Qxc -0.3309397E+01 3,+1 63 3 -1 -1.727384 -1.722046 -0.542709 Rho 0.4656278E-01 |GRAD(Rho)| 0.1026542E-15 GRAD(Rho)x 0.4823006E-16 GRAD(Rho)y 0.8214653E-16 GRAD(Rho)z -0.3825836E-16 Laplacian 0.1917041E+00 (-1/4)Del**2(Rho)) -0.4792603E-01 Diamond 0.8723079E-01 Metallicity 0.2166274E+01 Ellipticity 0.1120260E-01 Gb(Abramov) 0.4925417E-01 Vb(Abramov) -0.5058230E-01 Hb(Abramov) -0.1328139E-02 Ex_ueg -0.1237192E-01 Ec_ueg -0.2225777E-02 Delta_ex -0.1545341E-01 Delta_ec 0.5632006E-02 Delta_et -0.5826941E-01 Pxc 0.5558471E+01 Qxc -0.2743856E+01 3,-1 64 3 +1 -1.646036 0.505488 -0.568393 Rho 0.9447271E-02 |GRAD(Rho)| 0.1730614E-16 GRAD(Rho)x 0.9643497E-17 GRAD(Rho)y 0.4958511E-17 GRAD(Rho)z 0.1348772E-16 Laplacian 0.3785607E-01 (-1/4)Del**2(Rho)) -0.9464017E-02 Diamond 0.1147270E-02 Metallicity 0.7685196E+00 Ellipticity -0.1449258E+01 Gb(Abramov) 0.7521558E-02 Vb(Abramov) -0.5579100E-02 Hb(Abramov) 0.1942459E-02 Ex_ueg -0.1475005E-02 Ec_ueg -0.3430470E-03 Delta_ex -0.1769507E-02 Delta_ec 0.5296341E-03 Delta_et -0.3710680E-02 Pxc 0.4299718E+01 Qxc -0.3340999E+01 3,+1 65 3 +1 -1.028610 2.161775 1.401051 Rho 0.3002017E-01 |GRAD(Rho)| 0.1201685E-16 GRAD(Rho)x -0.5030755E-17 GRAD(Rho)y -0.2504986E-17 GRAD(Rho)z 0.1062173E-16 Laplacian 0.1200459E+00 (-1/4)Del**2(Rho)) -0.3001147E-01 Diamond 0.1788496E-01 Metallicity 0.1664516E+01 Ellipticity -0.2625223E+01 Gb(Abramov) 0.2833341E-01 Vb(Abramov) -0.2665535E-01 Hb(Abramov) 0.1678063E-02 Ex_ueg -0.6890795E-02 Ec_ueg -0.1344648E-02 Delta_ex -0.7645237E-02 Delta_ec 0.1685035E-02 Delta_et -0.1557536E-01 Pxc 0.5124609E+01 Qxc -0.4537138E+01 3,+1 66 3 -1 -1.766043 2.749716 -0.558539 Rho 0.1567016E+00 |GRAD(Rho)| 0.1670476E-15 GRAD(Rho)x -0.1384797E-15 GRAD(Rho)y -0.4483176E-16 GRAD(Rho)z -0.8196568E-16 Laplacian 0.6559015E+00 (-1/4)Del**2(Rho)) -0.1639754E+00 Diamond 0.1385373E+01 Metallicity 0.4785165E+01 Ellipticity 0.1670493E-01 Gb(Abramov) 0.2400918E+00 Vb(Abramov) -0.3162082E+00 Hb(Abramov) -0.7611641E-01 Ex_ueg -0.6239498E-01 Ec_ueg -0.8873884E-02 Delta_ex -0.7105553E-01 Delta_ec 0.1620162E-01 Delta_et -0.2163179E+00 Pxc 0.7031304E+01 Qxc -0.4385704E+01 3,-1 67 3 +1 0.531413 1.661313 0.515881 Rho 0.9058413E-02 |GRAD(Rho)| 0.8897904E-17 GRAD(Rho)x 0.5465536E-17 GRAD(Rho)y 0.5875047E-17 GRAD(Rho)z 0.3845053E-17 Laplacian 0.3509462E-01 (-1/4)Del**2(Rho)) -0.8773656E-02 Diamond 0.9997218E-03 Metallicity 0.7729050E+00 Ellipticity -0.1465899E+01 Gb(Abramov) 0.6979304E-02 Vb(Abramov) -0.5184953E-02 Hb(Abramov) 0.1794352E-02 Ex_ueg -0.1394616E-02 Ec_ueg -0.3255372E-03 Delta_ex -0.1621010E-02 Delta_ec 0.4875612E-03 Delta_et -0.3382194E-02 Pxc 0.4284045E+01 Qxc -0.3324731E+01 3,+1 68 3 -1 -1.964071 2.961632 0.832555 Rho 0.1584727E+00 |GRAD(Rho)| 0.2714882E-15 GRAD(Rho)x -0.2629055E-15 GRAD(Rho)y -0.5559247E-16 GRAD(Rho)z -0.3867891E-16 Laplacian 0.6216332E+00 (-1/4)Del**2(Rho)) -0.1554083E+00 Diamond 0.1338177E+01 Metallicity 0.5144422E+01 Ellipticity 0.2921942E-01 Gb(Abramov) 0.2368532E+00 Vb(Abramov) -0.3182980E+00 Hb(Abramov) -0.8144487E-01 Ex_ueg -0.6333705E-01 Ec_ueg -0.8988079E-02 Delta_ex -0.6759922E-01 Delta_ec 0.1543271E-01 Delta_et -0.2066520E+00 Pxc 0.7046784E+01 Qxc -0.4380257E+01 3,-1 69 3 -1 1.723660 -1.726565 0.539463 Rho 0.4435026E-01 |GRAD(Rho)| 0.3134107E-13 GRAD(Rho)x -0.2017144E-13 GRAD(Rho)y -0.3478502E-14 GRAD(Rho)z 0.2373344E-13 Laplacian 0.1808682E+00 (-1/4)Del**2(Rho)) -0.4521704E-01 Diamond 0.7676160E-01 Metallicity 0.2117116E+01 Ellipticity 0.1133042E-01 Gb(Abramov) 0.4609965E-01 Vb(Abramov) -0.4698225E-01 Hb(Abramov) -0.8826071E-03 Ex_ueg -0.1159436E-01 Ec_ueg -0.2105043E-02 Delta_ex -0.1438950E-01 Delta_ec 0.5291458E-02 Delta_et -0.5404263E-01 Pxc 0.5507895E+01 Qxc -0.2719383E+01 3,-1 70 3 +1 -0.173796 -0.177495 -2.867595 Rho 0.5576975E-02 |GRAD(Rho)| 0.9587761E-17 GRAD(Rho)x -0.3766579E-17 GRAD(Rho)y 0.8670092E-17 GRAD(Rho)z -0.1602352E-17 Laplacian 0.2300473E-01 (-1/4)Del**2(Rho)) -0.5751181E-02 Diamond 0.5803766E-03 Metallicity 0.5253644E+00 Ellipticity -0.2574245E+01 Gb(Abramov) 0.4337699E-02 Vb(Abramov) -0.2924216E-02 Hb(Abramov) 0.1413483E-02 Ex_ueg -0.7304380E-03 Ec_ueg -0.1718263E-03 Delta_ex -0.1135449E-02 Delta_ec 0.6656962E-03 Delta_et -0.3759098E-02 Pxc 0.4251026E+01 Qxc -0.1705657E+01 3,+1 71 3 -1 -0.475830 0.482905 0.439875 Rho 0.1843412E+00 |GRAD(Rho)| 0.3851348E-13 GRAD(Rho)x 0.2153486E-13 GRAD(Rho)y -0.2308570E-13 GRAD(Rho)z -0.2205874E-13 Laplacian 0.5053209E+00 (-1/4)Del**2(Rho)) -0.1263302E+00 Diamond 0.1344240E+01 Metallicity 0.8142351E+01 Ellipticity 0.9379544E-02 Gb(Abramov) 0.2556577E+00 Vb(Abramov) -0.3849851E+00 Hb(Abramov) -0.1293274E+00 Ex_ueg -0.7748451E-01 Ec_ueg -0.1067701E-01 Delta_ex -0.5737285E-01 Delta_ec 0.1260004E-01 Delta_et -0.1732973E+00 Pxc 0.7257132E+01 Qxc -0.4553387E+01 3,-1 72 3 +1 -0.522038 0.535029 -1.657046 Rho 0.9352422E-02 |GRAD(Rho)| 0.2226505E-16 GRAD(Rho)x 0.2291184E-17 GRAD(Rho)y -0.1075230E-16 GRAD(Rho)z 0.1936158E-16 Laplacian 0.3630371E-01 (-1/4)Del**2(Rho)) -0.9075927E-02 Diamond 0.1084950E-02 Metallicity 0.7880172E+00 Ellipticity -0.1483042E+01 Gb(Abramov) 0.7242616E-02 Vb(Abramov) -0.5409304E-02 Hb(Abramov) 0.1833311E-02 Ex_ueg -0.1455293E-02 Ec_ueg -0.3387700E-03 Delta_ex -0.1692485E-02 Delta_ec 0.5077521E-03 Delta_et -0.3548354E-02 Pxc 0.4295815E+01 Qxc -0.3333291E+01 3,+1 73 3 +3 -1.107266 -1.086344 1.102629 Rho 0.5298989E-02 |GRAD(Rho)| 0.1213322E-15 GRAD(Rho)x 0.7920683E-16 GRAD(Rho)y 0.6907273E-16 GRAD(Rho)z 0.6063615E-16 Laplacian 0.2050014E-01 (-1/4)Del**2(Rho)) -0.5125035E-02 Diamond 0.1527743E-03 Metallicity 0.5413914E+00 Ellipticity -0.3192344E-01 Gb(Abramov) 0.3879132E-02 Vb(Abramov) -0.2633228E-02 Hb(Abramov) 0.1245903E-02 Ex_ueg -0.6823006E-03 Ec_ueg -0.1598021E-03 Delta_ex -0.7178695E-03 Delta_ec 0.8685657E-04 Delta_et -0.7043285E-03 Pxc 0.4269659E+01 Qxc -0.8265000E+01 3,+3 74 3 +3 -0.026164 0.037846 2.299935 Rho 0.4665821E-02 |GRAD(Rho)| 0.1218392E-13 GRAD(Rho)x 0.6478817E-14 GRAD(Rho)y -0.5027639E-14 GRAD(Rho)z -0.9010862E-14 Laplacian 0.1889377E-01 (-1/4)Del**2(Rho)) -0.4723443E-02 Diamond 0.1668642E-03 Metallicity 0.4751616E+00 Ellipticity -0.2814380E+00 Gb(Abramov) 0.3523028E-02 Vb(Abramov) -0.2322614E-02 Hb(Abramov) 0.1200414E-02 Ex_ueg -0.5758232E-03 Ec_ueg -0.1325602E-03 Delta_ex -0.6880785E-03 Delta_ec 0.1683923E-03 Delta_et -0.1069366E-02 Pxc 0.4343862E+01 Qxc -0.4086164E+01 3,+3 75 3 +1 -0.558122 -0.501763 1.647390 Rho 0.8721576E-02 |GRAD(Rho)| 0.1457091E-12 GRAD(Rho)x -0.1112008E-12 GRAD(Rho)y -0.1072856E-13 GRAD(Rho)z 0.9354367E-13 Laplacian 0.3375840E-01 (-1/4)Del**2(Rho)) -0.8439600E-02 Diamond 0.9169659E-03 Metallicity 0.7543210E+00 Ellipticity -0.1455367E+01 Gb(Abramov) 0.6687428E-02 Vb(Abramov) -0.4935256E-02 Hb(Abramov) 0.1752172E-02 Ex_ueg -0.1325903E-02 Ec_ueg -0.3104230E-03 Delta_ex -0.1545982E-02 Delta_ec 0.4719529E-03 Delta_et -0.3239930E-02 Pxc 0.4271277E+01 Qxc -0.3275713E+01 3,+1 76 3 +1 0.164928 -0.156069 2.885710 Rho 0.5371370E-02 |GRAD(Rho)| 0.2999490E-15 GRAD(Rho)x 0.2211785E-15 GRAD(Rho)y -0.2021252E-15 GRAD(Rho)z 0.1396072E-16 Laplacian 0.2215481E-01 (-1/4)Del**2(Rho)) -0.5538702E-02 Diamond 0.5406330E-03 Metallicity 0.5124132E+00 Ellipticity -0.2589134E+01 Gb(Abramov) 0.4165485E-02 Vb(Abramov) -0.2792269E-02 Hb(Abramov) 0.1373217E-02 Ex_ueg -0.6947553E-03 Ec_ueg -0.1629292E-03 Delta_ex -0.1093074E-02 Delta_ec 0.6550464E-03 Delta_et -0.3651838E-02 Pxc 0.4264154E+01 Qxc -0.1668698E+01 3,+1 77 3 +1 0.537282 -0.529332 -1.661339 Rho 0.9247944E-02 |GRAD(Rho)| 0.8356933E-14 GRAD(Rho)x -0.4815874E-14 GRAD(Rho)y 0.3367571E-14 GRAD(Rho)z 0.5941814E-14 Laplacian 0.3585040E-01 (-1/4)Del**2(Rho)) -0.8962601E-02 Diamond 0.1051192E-02 Metallicity 0.7831791E+00 Ellipticity -0.1474965E+01 Gb(Abramov) 0.7144955E-02 Vb(Abramov) -0.5327308E-02 Hb(Abramov) 0.1817647E-02 Ex_ueg -0.1433657E-02 Ec_ueg -0.3340633E-03 Delta_ex -0.1664968E-02 Delta_ec 0.4985556E-03 Delta_et -0.3476386E-02 Pxc 0.4291573E+01 Qxc -0.3339583E+01 3,+1 78 3 -1 -0.467101 -0.467833 -0.487826 Rho 0.1889131E+00 |GRAD(Rho)| 0.7960041E-14 GRAD(Rho)x 0.4860695E-14 GRAD(Rho)y 0.4649059E-14 GRAD(Rho)z 0.4257011E-14 Laplacian 0.5293621E+00 (-1/4)Del**2(Rho)) -0.1323405E+00 Diamond 0.1444758E+01 Metallicity 0.8096493E+01 Ellipticity 0.7894981E-03 Gb(Abramov) 0.2668094E+00 Vb(Abramov) -0.4012782E+00 Hb(Abramov) -0.1344689E+00 Ex_ueg -0.8005732E-01 Ec_ueg -0.1097952E-01 Delta_ex -0.6043322E-01 Delta_ec 0.1304331E-01 Delta_et -0.1796520E+00 Pxc 0.7291511E+01 Qxc -0.4633274E+01 3,-1 79 3 +1 0.189329 0.184881 -2.869406 Rho 0.5558594E-02 |GRAD(Rho)| 0.5921813E-17 GRAD(Rho)x 0.3419230E-17 GRAD(Rho)y 0.4453309E-17 GRAD(Rho)z 0.1882758E-17 Laplacian 0.2299591E-01 (-1/4)Del**2(Rho)) -0.5748976E-02 Diamond 0.5681989E-03 Metallicity 0.5226821E+00 Ellipticity -0.2353716E+01 Gb(Abramov) 0.4333465E-02 Vb(Abramov) -0.2917954E-02 Hb(Abramov) 0.1415511E-02 Ex_ueg -0.7272298E-03 Ec_ueg -0.1710300E-03 Delta_ex -0.1126693E-02 Delta_ec 0.6519340E-03 Delta_et -0.3683643E-02 Pxc 0.4252059E+01 Qxc -0.1728232E+01 3,+1 80 3 +1 -1.662970 -0.522826 0.514939 Rho 0.8916319E-02 |GRAD(Rho)| 0.3553584E-17 GRAD(Rho)x 0.2143198E-17 GRAD(Rho)y 0.2553586E-17 GRAD(Rho)z 0.1230388E-17 Laplacian 0.3452237E-01 (-1/4)Del**2(Rho)) -0.8630591E-02 Diamond 0.9637896E-03 Metallicity 0.7652828E+00 Ellipticity -0.1461512E+01 Gb(Abramov) 0.6854535E-02 Vb(Abramov) -0.5078478E-02 Hb(Abramov) 0.1776057E-02 Ex_ueg -0.1365524E-02 Ec_ueg -0.3191552E-03 Delta_ex -0.1588749E-02 Delta_ec 0.4806463E-03 Delta_et -0.3319941E-02 Pxc 0.4278556E+01 Qxc -0.3305442E+01 3,+1 81 3 +1 -0.140888 0.149992 2.891166 Rho 0.5404866E-02 |GRAD(Rho)| 0.3029073E-15 GRAD(Rho)x -0.2092217E-15 GRAD(Rho)y 0.2186659E-15 GRAD(Rho)z 0.1281732E-16 Laplacian 0.2212704E-01 (-1/4)Del**2(Rho)) -0.5531760E-02 Diamond 0.5789308E-03 Metallicity 0.5183997E+00 Ellipticity -0.3828544E+01 Gb(Abramov) 0.4165784E-02 Vb(Abramov) -0.2799807E-02 Hb(Abramov) 0.1365976E-02 Ex_ueg -0.7005379E-03 Ec_ueg -0.1643772E-03 Delta_ex -0.1121884E-02 Delta_ec 0.7056920E-03 Delta_et -0.3919521E-02 Pxc 0.4261770E+01 Qxc -0.1589765E+01 3,+1 82 3 -1 -0.005086 -0.008142 -2.876191 Rho 0.5618478E-02 |GRAD(Rho)| 0.9604209E-15 GRAD(Rho)x 0.7030572E-15 GRAD(Rho)y 0.6296226E-15 GRAD(Rho)z -0.1780291E-15 Laplacian 0.2247830E-01 (-1/4)Del**2(Rho)) -0.5619575E-02 Diamond 0.6998774E-03 Metallicity 0.5443532E+00 Ellipticity 0.2446358E+01 Gb(Abramov) 0.4256222E-02 Vb(Abramov) -0.2892870E-02 Hb(Abramov) 0.1363353E-02 Ex_ueg -0.7376946E-03 Ec_ueg -0.1736248E-03 Delta_ex -0.1212147E-02 Delta_ec 0.8308234E-03 Delta_et -0.4623697E-02 Pxc 0.4248787E+01 Qxc -0.1458971E+01 3,-1 83 3 +3 1.112344 -1.117889 -1.101256 Rho 0.5402042E-02 |GRAD(Rho)| 0.3412488E-17 GRAD(Rho)x 0.1409516E-20 GRAD(Rho)y -0.1762573E-18 GRAD(Rho)z 0.3407933E-17 Laplacian 0.2089104E-01 (-1/4)Del**2(Rho)) -0.5222761E-02 Diamond 0.1582610E-03 Metallicity 0.5485922E+00 Ellipticity -0.2113721E-01 Gb(Abramov) 0.3959368E-02 Vb(Abramov) -0.2695975E-02 Hb(Abramov) 0.1263393E-02 Ex_ueg -0.7000499E-03 Ec_ueg -0.1642551E-03 Delta_ex -0.7341716E-03 Delta_ec 0.8612506E-04 Delta_et -0.7077106E-03 Pxc 0.4261967E+01 Qxc -0.8524482E+01 3,+3 84 3 +1 0.164710 -2.879287 0.162684 Rho 0.5416072E-02 |GRAD(Rho)| 0.1364760E-16 GRAD(Rho)x 0.6429450E-17 GRAD(Rho)y 0.9502017E-17 GRAD(Rho)z 0.7391261E-17 Laplacian 0.2233090E-01 (-1/4)Del**2(Rho)) -0.5582724E-02 Diamond 0.5549031E-03 Metallicity 0.5154435E+00 Ellipticity -0.2703932E+01 Gb(Abramov) 0.4201412E-02 Vb(Abramov) -0.2820101E-02 Hb(Abramov) 0.1381312E-02 Ex_ueg -0.7024751E-03 Ec_ueg -0.1648618E-03 Delta_ex -0.1106808E-02 Delta_ec 0.6660085E-03 Delta_et -0.3719672E-02 Pxc 0.4260994E+01 Qxc -0.1661853E+01 3,+1 85 3 +1 -0.165066 -2.876150 -0.167994 Rho 0.5421875E-02 |GRAD(Rho)| 0.7923510E-15 GRAD(Rho)x -0.5511277E-15 GRAD(Rho)y -0.2975196E-16 GRAD(Rho)z -0.5685007E-15 Laplacian 0.2234465E-01 (-1/4)Del**2(Rho)) -0.5586163E-02 Diamond 0.5598086E-03 Metallicity 0.5160463E+00 Ellipticity -0.2823132E+01 Gb(Abramov) 0.4204562E-02 Vb(Abramov) -0.2822960E-02 Hb(Abramov) 0.1381601E-02 Ex_ueg -0.7034788E-03 Ec_ueg -0.1651127E-03 Delta_ex -0.1110862E-02 Delta_ec 0.6720188E-03 Delta_et -0.3752071E-02 Pxc 0.4260597E+01 Qxc -0.1653023E+01 3,+1 86 3 +1 1.305705 1.157064 -2.179730 Rho 0.2920437E-01 |GRAD(Rho)| 0.7605620E-14 GRAD(Rho)x 0.5034482E-14 GRAD(Rho)y -0.2022872E-14 GRAD(Rho)z -0.5329863E-14 Laplacian 0.1190607E+00 (-1/4)Del**2(Rho)) -0.2976516E-01 Diamond 0.2048593E-01 Metallicity 0.1602967E+01 Ellipticity -0.6646402E+01 Gb(Abramov) 0.2779554E-01 Vb(Abramov) -0.2582591E-01 Hb(Abramov) 0.1969625E-02 Ex_ueg -0.6642254E-02 Ec_ueg -0.1302641E-02 Delta_ex -0.7826011E-02 Delta_ec 0.2208885E-02 Delta_et -0.2022251E-01 Pxc 0.5099067E+01 Qxc -0.3542970E+01 3,+1 87 3 -1 1.735714 1.728097 -0.539867 Rho 0.4685079E-01 |GRAD(Rho)| 0.1695975E-15 GRAD(Rho)x 0.1117406E-15 GRAD(Rho)y 0.1015042E-15 GRAD(Rho)z 0.7729324E-16 Laplacian 0.1931049E+00 (-1/4)Del**2(Rho)) -0.4827621E-01 Diamond 0.8867595E-01 Metallicity 0.2172775E+01 Ellipticity 0.1104884E-01 Gb(Abramov) 0.4966637E-01 Vb(Abramov) -0.5105653E-01 Hb(Abramov) -0.1390157E-02 Ex_ueg -0.1247405E-01 Ec_ueg -0.2241551E-02 Delta_ex -0.1559366E-01 Delta_ec 0.5678600E-02 Delta_et -0.5884810E-01 Pxc 0.5564921E+01 Qxc -0.2746039E+01 3,-1 88 3 +3 1.098332 1.100638 1.112183 Rho 0.5311994E-02 |GRAD(Rho)| 0.5453355E-17 GRAD(Rho)x -0.5042290E-17 GRAD(Rho)y -0.1890672E-17 GRAD(Rho)z 0.8600908E-18 Laplacian 0.2053150E-01 (-1/4)Del**2(Rho)) -0.5132875E-02 Diamond 0.1532245E-03 Metallicity 0.5427774E+00 Ellipticity -0.5760428E-01 Gb(Abramov) 0.3886251E-02 Vb(Abramov) -0.2639628E-02 Hb(Abramov) 0.1246623E-02 Ex_ueg -0.6845342E-03 Ec_ueg -0.1603638E-03 Delta_ex -0.7192043E-03 Delta_ec 0.8653218E-04 Delta_et -0.7033446E-03 Pxc 0.4268633E+01 Qxc -0.8311408E+01 3,+3 89 3 +1 1.658319 -0.540720 -0.535138 Rho 0.9002686E-02 |GRAD(Rho)| 0.1487553E-12 GRAD(Rho)x -0.8768384E-13 GRAD(Rho)y -0.8513352E-13 GRAD(Rho)z -0.8480551E-13 Laplacian 0.3478583E-01 (-1/4)Del**2(Rho)) -0.8696458E-02 Diamond 0.9889763E-03 Metallicity 0.7717872E+00 Ellipticity -0.1473840E+01 Gb(Abramov) 0.6916274E-02 Vb(Abramov) -0.5136091E-02 Hb(Abramov) 0.1780183E-02 Ex_ueg -0.1383188E-02 Ec_ueg -0.3230332E-03 Delta_ex -0.1606917E-02 Delta_ec 0.4880829E-03 Delta_et -0.3376578E-02 Pxc 0.4281876E+01 Qxc -0.3292304E+01 3,+1 90 3 +1 1.275921 2.168278 -1.195072 Rho 0.2942589E-01 |GRAD(Rho)| 0.8366928E-16 GRAD(Rho)x -0.2810589E-16 GRAD(Rho)y -0.7711304E-16 GRAD(Rho)z 0.1625380E-16 Laplacian 0.1211300E+00 (-1/4)Del**2(Rho)) -0.3028250E-01 Diamond 0.2153246E-01 Metallicity 0.1595551E+01 Ellipticity -0.8752043E+01 Gb(Abramov) 0.2824122E-01 Vb(Abramov) -0.2619993E-01 Hb(Abramov) 0.2041286E-02 Ex_ueg -0.6709517E-02 Ec_ueg -0.1314032E-02 Delta_ex -0.8019369E-02 Delta_ec 0.2321028E-02 Delta_et -0.2128155E-01 Pxc 0.5106052E+01 Qxc -0.3455094E+01 3,+1 91 3 -1 0.880435 1.981502 -3.008692 Rho 0.1513407E+00 |GRAD(Rho)| 0.1773296E-13 GRAD(Rho)x -0.1295044E-13 GRAD(Rho)y 0.1031469E-13 GRAD(Rho)z 0.6352232E-14 Laplacian 0.5940825E+00 (-1/4)Del**2(Rho)) -0.1485206E+00 Diamond 0.1220461E+01 Metallicity 0.4985318E+01 Ellipticity 0.4282833E-01 Gb(Abramov) 0.2224175E+00 Vb(Abramov) -0.2963144E+00 Hb(Abramov) -0.7389687E-01 Ex_ueg -0.5956523E-01 Ec_ueg -0.8529396E-02 Delta_ex -0.6397424E-01 Delta_ec 0.1510348E-01 Delta_et -0.2014533E+00 Pxc 0.6983523E+01 Qxc -0.4235730E+01 3,-1 92 3 +1 2.175362 1.240038 -1.214711 Rho 0.2963680E-01 |GRAD(Rho)| 0.6863735E-16 GRAD(Rho)x 0.6294443E-16 GRAD(Rho)y 0.1811479E-16 GRAD(Rho)z -0.2051680E-16 Laplacian 0.1230488E+00 (-1/4)Del**2(Rho)) -0.3076219E-01 Diamond 0.2254601E-01 Metallicity 0.1589479E+01 Ellipticity -0.1267268E+02 Gb(Abramov) 0.2865744E-01 Vb(Abramov) -0.2655269E-01 Hb(Abramov) 0.2104752E-02 Ex_ueg -0.6773715E-02 Ec_ueg -0.1324888E-02 Delta_ex -0.8201354E-02 Delta_ec 0.2428368E-02 Delta_et -0.2229903E-01 Pxc 0.5112668E+01 Qxc -0.3377311E+01 3,+1 93 3 -1 -0.028110 2.887589 0.043401 Rho 0.5804265E-02 |GRAD(Rho)| 0.2265180E-17 GRAD(Rho)x 0.1596412E-17 GRAD(Rho)y 0.2141817E-18 GRAD(Rho)z 0.1592681E-17 Laplacian 0.2354034E-01 (-1/4)Del**2(Rho)) -0.5885086E-02 Diamond 0.7694567E-03 Metallicity 0.5487557E+00 Ellipticity 0.2583173E+01 Gb(Abramov) 0.4461636E-02 Vb(Abramov) -0.3038187E-02 Hb(Abramov) 0.1423450E-02 Ex_ueg -0.7703972E-03 Ec_ueg -0.1816861E-03 Delta_ex -0.1279967E-02 Delta_ec 0.8751801E-03 Delta_et -0.4917266E-02 Pxc 0.4240265E+01 Qxc -0.1462518E+01 3,-1 94 3 -1 1.995221 2.988998 -0.857386 Rho 0.1403172E+00 |GRAD(Rho)| 0.4599284E-12 GRAD(Rho)x 0.2675097E-12 GRAD(Rho)y -0.1681699E-12 GRAD(Rho)z 0.3342028E-12 Laplacian 0.5536427E+00 (-1/4)Del**2(Rho)) -0.1384107E+00 Diamond 0.1039517E+01 Metallicity 0.4715939E+01 Ellipticity 0.3260730E-01 Gb(Abramov) 0.2010632E+00 Vb(Abramov) -0.2637157E+00 Hb(Abramov) -0.6265250E-01 Ex_ueg -0.5385170E-01 Ec_ueg -0.7826584E-02 Delta_ex -0.5853630E-01 Delta_ec 0.1435711E-01 Delta_et -0.1894460E+00 Pxc 0.6880614E+01 Qxc -0.4077165E+01 3,-1 95 3 -1 2.781690 -0.576438 -1.799468 Rho 0.1447273E+00 |GRAD(Rho)| 0.4017404E-12 GRAD(Rho)x 0.8419510E-13 GRAD(Rho)y -0.2618130E-12 GRAD(Rho)z 0.2928488E-12 Laplacian 0.6112860E+00 (-1/4)Del**2(Rho)) -0.1528215E+00 Diamond 0.1186423E+01 Metallicity 0.4497309E+01 Ellipticity 0.8532360E-02 Gb(Abramov) 0.2164286E+00 Vb(Abramov) -0.2800357E+00 Hb(Abramov) -0.6360710E-01 Ex_ueg -0.5612017E-01 Ec_ueg -0.8106844E-02 Delta_ex -0.6507038E-01 Delta_ec 0.1564317E-01 Delta_et -0.2071754E+00 Pxc 0.6922567E+01 Qxc -0.4159667E+01 3,-1 96 3 +1 1.658053 0.536723 0.525744 Rho 0.9029331E-02 |GRAD(Rho)| 0.7211984E-15 GRAD(Rho)x -0.3125927E-15 GRAD(Rho)y -0.6273400E-15 GRAD(Rho)z 0.1698747E-15 Laplacian 0.3512844E-01 (-1/4)Del**2(Rho)) -0.8782110E-02 Diamond 0.1000014E-02 Metallicity 0.7680336E+00 Ellipticity -0.1464060E+01 Gb(Abramov) 0.6978899E-02 Vb(Abramov) -0.5175688E-02 Hb(Abramov) 0.1803211E-02 Ex_ueg -0.1388649E-02 Ec_ueg -0.3242302E-03 Delta_ex -0.1622809E-02 Delta_ec 0.4908269E-03 Delta_et -0.3399788E-02 Pxc 0.4282910E+01 Qxc -0.3306275E+01 3,+1 97 3 +1 2.877249 -0.163558 0.159081 Rho 0.5386414E-02 |GRAD(Rho)| 0.7572223E-14 GRAD(Rho)x 0.3419977E-15 GRAD(Rho)y -0.5319859E-14 GRAD(Rho)z 0.5377797E-14 Laplacian 0.2216867E-01 (-1/4)Del**2(Rho)) -0.5542168E-02 Diamond 0.5527842E-03 Metallicity 0.5144854E+00 Ellipticity -0.2890997E+01 Gb(Abramov) 0.4170006E-02 Vb(Abramov) -0.2797844E-02 Hb(Abramov) 0.1372162E-02 Ex_ueg -0.6973509E-03 Ec_ueg -0.1635795E-03 Delta_ex -0.1102586E-02 Delta_ec 0.6701282E-03 Delta_et -0.3732770E-02 Pxc 0.4263071E+01 Qxc -0.1645336E+01 3,+1 98 3 +3 2.322405 -0.004869 -0.000641 Rho 0.4764056E-02 |GRAD(Rho)| 0.7788006E-15 GRAD(Rho)x -0.5732213E-15 GRAD(Rho)y -0.3655907E-15 GRAD(Rho)z 0.3798568E-15 Laplacian 0.1940671E-01 (-1/4)Del**2(Rho)) -0.4851677E-02 Diamond 0.1832659E-03 Metallicity 0.4789492E+00 Ellipticity -0.2941097E+00 Gb(Abramov) 0.3621736E-02 Vb(Abramov) -0.2391794E-02 Hb(Abramov) 0.1229941E-02 Ex_ueg -0.5920443E-03 Ec_ueg -0.1367733E-03 Delta_ex -0.7174436E-03 Delta_ec 0.1852551E-03 Delta_et -0.1164622E-02 Pxc 0.4328653E+01 Qxc -0.3872733E+01 3,+3 99 3 -1 2.993981 -0.858555 1.988201 Rho 0.1436250E+00 |GRAD(Rho)| 0.8800595E-15 GRAD(Rho)x -0.2272894E-15 GRAD(Rho)y 0.6615937E-15 GRAD(Rho)z 0.5339831E-15 Laplacian 0.5677043E+00 (-1/4)Del**2(Rho)) -0.1419261E+00 Diamond 0.1096058E+01 Metallicity 0.4781243E+01 Ellipticity 0.3448140E-01 Gb(Abramov) 0.2077146E+00 Vb(Abramov) -0.2735030E+00 Hb(Abramov) -0.6578848E-01 Ex_ueg -0.5555096E-01 Ec_ueg -0.8036676E-02 Delta_ex -0.6036363E-01 Delta_ec 0.1463613E-01 Delta_et -0.1937975E+00 Pxc 0.6912181E+01 Qxc -0.4124290E+01 3,-1 100 3 +1 2.876492 0.153363 -0.157854 Rho 0.5387035E-02 |GRAD(Rho)| 0.7313140E-16 GRAD(Rho)x -0.7899782E-17 GRAD(Rho)y 0.7196599E-16 GRAD(Rho)z 0.1032918E-16 Laplacian 0.2217088E-01 (-1/4)Del**2(Rho)) -0.5542719E-02 Diamond 0.5534280E-03 Metallicity 0.5145331E+00 Ellipticity -0.2910964E+01 Gb(Abramov) 0.4170465E-02 Vb(Abramov) -0.2798211E-02 Hb(Abramov) 0.1372254E-02 Ex_ueg -0.6974581E-03 Ec_ueg -0.1636063E-03 Delta_ex -0.1103144E-02 Delta_ec 0.6709500E-03 Delta_et -0.3737161E-02 Pxc 0.4263026E+01 Qxc -0.1644152E+01 3,+1 101 3 -1 2.882362 -0.004538 0.000043 Rho 0.5416193E-02 |GRAD(Rho)| 0.1945338E-16 GRAD(Rho)x -0.1778426E-16 GRAD(Rho)y 0.4095482E-17 GRAD(Rho)z 0.6736531E-17 Laplacian 0.2172579E-01 (-1/4)Del**2(Rho)) -0.5431447E-02 Diamond 0.6434545E-03 Metallicity 0.5298194E+00 Ellipticity 0.3275419E+01 Gb(Abramov) 0.4100579E-02 Vb(Abramov) -0.2769711E-02 Hb(Abramov) 0.1330868E-02 Ex_ueg -0.7024961E-03 Ec_ueg -0.1648670E-03 Delta_ex -0.1163269E-02 Delta_ec 0.8023060E-03 Delta_et -0.4415677E-02 Pxc 0.4260986E+01 Qxc -0.1449907E+01 3,-1 102 3 +1 1.221207 -1.212903 2.165532 Rho 0.2921454E-01 |GRAD(Rho)| 0.3342276E-16 GRAD(Rho)x 0.1095921E-16 GRAD(Rho)y 0.2700744E-16 GRAD(Rho)z 0.1635771E-16 Laplacian 0.1212027E+00 (-1/4)Del**2(Rho)) -0.3030068E-01 Diamond 0.2179902E-01 Metallicity 0.1575551E+01 Ellipticity -0.1187978E+02 Gb(Abramov) 0.2815717E-01 Vb(Abramov) -0.2601365E-01 Hb(Abramov) 0.2143516E-02 Ex_ueg -0.6645338E-02 Ec_ueg -0.1303164E-02 Delta_ex -0.8050008E-02 Delta_ec 0.2395846E-02 Delta_et -0.2192095E-01 Pxc 0.5099389E+01 Qxc -0.3359986E+01 3,+1 103 3 -1 3.216710 -0.081612 -3.193689 Rho 0.2565189E+00 |GRAD(Rho)| 0.3843376E-15 GRAD(Rho)x -0.1140581E-15 GRAD(Rho)y 0.1593777E-16 GRAD(Rho)z 0.3666772E-15 Laplacian 0.9279706E+00 (-1/4)Del**2(Rho)) -0.2319926E+00 Diamond 0.3541862E+01 Metallicity 0.7690324E+01 Ellipticity 0.1378086E-02 Gb(Abramov) 0.4520116E+00 Vb(Abramov) -0.6720305E+00 Hb(Abramov) -0.2200189E+00 Ex_ueg -0.1203772E+00 Ec_ueg -0.1558849E-01 Delta_ex -0.1140235E+00 Delta_ec 0.1997109E-01 Delta_et -0.2765093E+00 Pxc 0.7722187E+01 Qxc -0.5709426E+01 3,-1 104 3 -1 3.211365 0.058151 3.201035 Rho 0.2566803E+00 |GRAD(Rho)| 0.4675783E-15 GRAD(Rho)x 0.4051664E-15 GRAD(Rho)y 0.8353778E-16 GRAD(Rho)z 0.2179246E-15 Laplacian 0.9275017E+00 (-1/4)Del**2(Rho)) -0.2318754E+00 Diamond 0.3543717E+01 Metallicity 0.7702282E+01 Ellipticity 0.1695909E-02 Gb(Abramov) 0.4522452E+00 Vb(Abramov) -0.6726151E+00 Hb(Abramov) -0.2203698E+00 Ex_ueg -0.1204782E+00 Ec_ueg -0.1559979E-01 Delta_ex -0.1139894E+00 Delta_ec 0.1996550E-01 Delta_et -0.2764744E+00 Pxc 0.7723066E+01 Qxc -0.5709319E+01 3,-1 105 3 -1 3.207631 3.200508 0.064304 Rho 0.2564209E+00 |GRAD(Rho)| 0.4548727E-13 GRAD(Rho)x -0.3602500E-13 GRAD(Rho)y -0.2769323E-13 GRAD(Rho)z -0.2091778E-14 Laplacian 0.9272190E+00 (-1/4)Del**2(Rho)) -0.2318047E+00 Diamond 0.3537699E+01 Metallicity 0.7691654E+01 Ellipticity 0.1218205E-02 Gb(Abramov) 0.4516968E+00 Vb(Abramov) -0.6715889E+00 Hb(Abramov) -0.2198921E+00 Ex_ueg -0.1203159E+00 Ec_ueg -0.1558162E-01 Delta_ex -0.1139213E+00 Delta_ec 0.1996018E-01 Delta_et -0.2763709E+00 Pxc 0.7721653E+01 Qxc -0.5707429E+01 3,-1 106 3 +1 -2.162932 -1.277940 -1.173124 Rho 0.2961766E-01 |GRAD(Rho)| 0.7312294E-14 GRAD(Rho)x -0.5268180E-14 GRAD(Rho)y -0.4785730E-14 GRAD(Rho)z 0.1677114E-14 Laplacian 0.1218200E+00 (-1/4)Del**2(Rho)) -0.3045501E-01 Diamond 0.2166961E-01 Metallicity 0.1603783E+01 Ellipticity -0.7964941E+01 Gb(Abramov) 0.2844388E-01 Vb(Abramov) -0.2643275E-01 Hb(Abramov) 0.2011130E-02 Ex_ueg -0.6767881E-02 Ec_ueg -0.1323902E-02 Delta_ex -0.8063366E-02 Delta_ec 0.2306444E-02 Delta_et -0.2118444E-01 Pxc 0.5112069E+01 Qxc -0.3496017E+01 3,+1 107 3 -1 -2.973952 -0.851808 -2.003957 Rho 0.1452426E+00 |GRAD(Rho)| 0.3342902E-15 GRAD(Rho)x -0.1632537E-15 GRAD(Rho)y -0.2336862E-15 GRAD(Rho)z 0.1746108E-15 Laplacian 0.5730566E+00 (-1/4)Del**2(Rho)) -0.1432642E+00 Diamond 0.1119040E+01 Metallicity 0.4825832E+01 Ellipticity 0.3877841E-01 Gb(Abramov) 0.2107376E+00 Vb(Abramov) -0.2782110E+00 Hb(Abramov) -0.6747341E-01 Ex_ueg -0.5638674E-01 Ec_ueg -0.8139669E-02 Delta_ex -0.6107539E-01 Delta_ec 0.1469022E-01 Delta_et -0.1947388E+00 Pxc 0.6927399E+01 Qxc -0.4157555E+01 3,-1 108 3 +1 0.541603 -1.658646 -0.535680 Rho 0.8903620E-02 |GRAD(Rho)| 0.6836663E-14 GRAD(Rho)x -0.5797741E-14 GRAD(Rho)y 0.2411267E-14 GRAD(Rho)z -0.2704063E-14 Laplacian 0.3439855E-01 (-1/4)Del**2(Rho)) -0.8599637E-02 Diamond 0.9636275E-03 Metallicity 0.7662151E+00 Ellipticity -0.1469479E+01 Gb(Abramov) 0.6831287E-02 Vb(Abramov) -0.5062937E-02 Hb(Abramov) 0.1768350E-02 Ex_ueg -0.1362931E-02 Ec_ueg -0.3185853E-03 Delta_ex -0.1584696E-02 Delta_ec 0.4828854E-03 Delta_et -0.3330973E-02 Pxc 0.4278073E+01 Qxc -0.3281723E+01 3,+1 109 3 +1 -2.884842 -0.187423 -0.195759 Rho 0.5524852E-02 |GRAD(Rho)| 0.1278344E-16 GRAD(Rho)x -0.1386014E-17 GRAD(Rho)y 0.1857166E-17 GRAD(Rho)z -0.1257164E-16 Laplacian 0.2323689E-01 (-1/4)Del**2(Rho)) -0.5809222E-02 Diamond 0.5546728E-03 Metallicity 0.5120389E+00 Ellipticity -0.2018623E+01 Gb(Abramov) 0.4368572E-02 Vb(Abramov) -0.2927923E-02 Hb(Abramov) 0.1440649E-02 Ex_ueg -0.7213498E-03 Ec_ueg -0.1695688E-03 Delta_ex -0.1125069E-02 Delta_ec 0.6372966E-03 Delta_et -0.3603970E-02 Pxc 0.4254025E+01 Qxc -0.1765377E+01 3,+1 110 3 +1 -1.742088 -1.728307 1.737613 Rho 0.1248084E-01 |GRAD(Rho)| 0.2380627E-16 GRAD(Rho)x 0.1390245E-16 GRAD(Rho)y 0.2156726E-17 GRAD(Rho)z 0.1920440E-16 Laplacian 0.6338614E-01 (-1/4)Del**2(Rho)) -0.1584654E-01 Diamond 0.2664896E-02 Metallicity 0.7300599E+00 Ellipticity -0.1240838E+01 Gb(Abramov) 0.1249251E-01 Vb(Abramov) -0.9138485E-02 Hb(Abramov) 0.3354025E-02 Ex_ueg -0.2138176E-02 Ec_ueg -0.4818115E-03 Delta_ex -0.3143925E-02 Delta_ec 0.8150925E-03 Delta_et -0.6176495E-02 Pxc 0.4437785E+01 Qxc -0.3857140E+01 3,+1 111 3 -1 -1.973545 -0.870993 -3.020213 Rho 0.1555703E+00 |GRAD(Rho)| 0.6683287E-15 GRAD(Rho)x -0.9826937E-16 GRAD(Rho)y -0.6609567E-15 GRAD(Rho)z -0.1193978E-16 Laplacian 0.6089055E+00 (-1/4)Del**2(Rho)) -0.1522264E+00 Diamond 0.1293085E+01 Metallicity 0.5092619E+01 Ellipticity 0.4605529E-01 Gb(Abramov) 0.2306894E+00 Vb(Abramov) -0.3091524E+00 Hb(Abramov) -0.7846303E-01 Ex_ueg -0.6179511E-01 Ec_ueg -0.8801043E-02 Delta_ex -0.6601787E-01 Delta_ec 0.1537533E-01 Delta_et -0.2058537E+00 Pxc 0.7021339E+01 Qxc -0.4293753E+01 3,-1 112 3 -1 -2.981956 0.860377 1.979439 Rho 0.1361676E+00 |GRAD(Rho)| 0.1588797E-13 GRAD(Rho)x 0.5280966E-14 GRAD(Rho)y -0.1166157E-13 GRAD(Rho)z 0.9409926E-14 Laplacian 0.5404418E+00 (-1/4)Del**2(Rho)) -0.1351104E+00 Diamond 0.9795639E+00 Metallicity 0.4595374E+01 Ellipticity 0.4375019E-01 Gb(Abramov) 0.1935541E+00 Vb(Abramov) -0.2519978E+00 Hb(Abramov) -0.5844368E-01 Ex_ueg -0.5173887E-01 Ec_ueg -0.7564013E-02 Delta_ex -0.5673430E-01 Delta_ec 0.1413269E-01 Delta_et -0.1856564E+00 Pxc 0.6840135E+01 Qxc -0.4014401E+01 3,-1 113 3 +1 -1.136290 -1.314368 -2.185339 Rho 0.2885759E-01 |GRAD(Rho)| 0.5320463E-14 GRAD(Rho)x 0.7496621E-15 GRAD(Rho)y 0.4909009E-14 GRAD(Rho)z -0.1909702E-14 Laplacian 0.1163729E+00 (-1/4)Del**2(Rho)) -0.2909322E-01 Diamond 0.1921033E-01 Metallicity 0.1607662E+01 Ellipticity -0.5302412E+01 Gb(Abramov) 0.2719082E-01 Vb(Abramov) -0.2528843E-01 Hb(Abramov) 0.1902394E-02 Ex_ueg -0.6537301E-02 Ec_ueg -0.1284832E-02 Delta_ex -0.7581412E-02 Delta_ec 0.2081061E-02 Delta_et -0.1900504E-01 Pxc 0.5088058E+01 Qxc -0.3643050E+01 3,+1 114 3 -1 -1.711266 -0.544668 -1.749777 Rho 0.4839801E-01 |GRAD(Rho)| 0.5025619E-16 GRAD(Rho)x -0.1140572E-16 GRAD(Rho)y 0.1798039E-16 GRAD(Rho)z 0.4552252E-16 Laplacian 0.2001312E+00 (-1/4)Del**2(Rho)) -0.5003279E-01 Diamond 0.9624335E-01 Metallicity 0.2213151E+01 Ellipticity 0.1356392E-01 Gb(Abramov) 0.5181021E-01 Vb(Abramov) -0.5358763E-01 Hb(Abramov) -0.1777422E-02 Ex_ueg -0.1302632E-01 Ec_ueg -0.2326515E-02 Delta_ex -0.1630223E-01 Delta_ec 0.5899037E-02 Delta_et -0.6165931E-01 Pxc 0.5599070E+01 Qxc -0.2763542E+01 3,-1 115 3 +3 -1.088808 1.099319 -1.127382 Rho 0.5569936E-02 |GRAD(Rho)| 0.1208981E-15 GRAD(Rho)x 0.6745724E-18 GRAD(Rho)y -0.1075297E-16 GRAD(Rho)z -0.1204170E-15 Laplacian 0.2207789E-01 (-1/4)Del**2(Rho)) -0.5519474E-02 Diamond 0.1763197E-03 Metallicity 0.5462682E+00 Ellipticity -0.2035231E+00 Gb(Abramov) 0.4182168E-02 Vb(Abramov) -0.2844862E-02 Hb(Abramov) 0.1337306E-02 Ex_ueg -0.7292090E-03 Ec_ueg -0.1715213E-03 Delta_ex -0.7840902E-03 Delta_ec 0.9372665E-04 Delta_et -0.7656881E-03 Pxc 0.4251419E+01 Qxc -0.8365713E+01 3,+3 116 3 -1 1.740158 0.526946 -1.729803 Rho 0.4711521E-01 |GRAD(Rho)| 0.1011118E-15 GRAD(Rho)x 0.7436272E-16 GRAD(Rho)y -0.1458146E-16 GRAD(Rho)z -0.6694144E-16 Laplacian 0.1939494E+00 (-1/4)Del**2(Rho)) -0.4848735E-01 Diamond 0.8980044E-01 Metallicity 0.2183701E+01 Ellipticity 0.1238975E-01 Gb(Abramov) 0.4997188E-01 Vb(Abramov) -0.5145641E-01 Hb(Abramov) -0.1484530E-02 Ex_ueg -0.1256801E-01 Ec_ueg -0.2256045E-02 Delta_ex -0.1568648E-01 Delta_ec 0.5707569E-02 Delta_et -0.5923686E-01 Pxc 0.5570816E+01 Qxc -0.2748364E+01 3,-1 117 3 +1 0.513543 0.563305 1.652418 Rho 0.8612474E-02 |GRAD(Rho)| 0.7768110E-14 GRAD(Rho)x -0.2420251E-14 GRAD(Rho)y -0.4957025E-14 GRAD(Rho)z -0.5469354E-14 Laplacian 0.3323530E-01 (-1/4)Del**2(Rho)) -0.8308826E-02 Diamond 0.8863413E-03 Metallicity 0.7502858E+00 Ellipticity -0.1452095E+01 Gb(Abramov) 0.6578216E-02 Vb(Abramov) -0.4847606E-02 Hb(Abramov) 0.1730610E-02 Ex_ueg -0.1303834E-02 Ec_ueg -0.3055383E-03 Delta_ex -0.1516700E-02 Delta_ec 0.4637912E-03 Delta_et -0.3174328E-02 Pxc 0.4267334E+01 Qxc -0.3270222E+01 3,+1 118 3 +1 -1.240795 -2.161859 -1.220967 Rho 0.2956531E-01 |GRAD(Rho)| 0.1331242E-14 GRAD(Rho)x -0.5700192E-15 GRAD(Rho)y -0.1201792E-14 GRAD(Rho)z -0.5457437E-16 Laplacian 0.1227831E+00 (-1/4)Del**2(Rho)) -0.3069578E-01 Diamond 0.2248522E-01 Metallicity 0.1586519E+01 Ellipticity -0.1342221E+02 Gb(Abramov) 0.2858043E-01 Vb(Abramov) -0.2646508E-01 Hb(Abramov) 0.2115354E-02 Ex_ueg -0.6751937E-02 Ec_ueg -0.1321207E-02 Delta_ex -0.8183859E-02 Delta_ec 0.2432801E-02 Delta_et -0.2232537E-01 Pxc 0.5110429E+01 Qxc -0.3363965E+01 3,+1 119 3 +3 0.004663 -2.312625 -0.003171 Rho 0.4761265E-02 |GRAD(Rho)| 0.6883914E-17 GRAD(Rho)x 0.5524864E-17 GRAD(Rho)y -0.2503543E-17 GRAD(Rho)z -0.3255215E-17 Laplacian 0.1938523E-01 (-1/4)Del**2(Rho)) -0.4846308E-02 Diamond 0.1807168E-03 Metallicity 0.4790116E+00 Ellipticity -0.3006680E+00 Gb(Abramov) 0.3617778E-02 Vb(Abramov) -0.2389248E-02 Hb(Abramov) 0.1228530E-02 Ex_ueg -0.5915818E-03 Ec_ueg -0.1366535E-03 Delta_ex -0.7143613E-03 Delta_ec 0.1811557E-03 Delta_et -0.1143910E-02 Pxc 0.4329063E+01 Qxc -0.3943354E+01 3,+3 120 3 +1 1.245760 -2.157744 1.197681 Rho 0.2861356E-01 |GRAD(Rho)| 0.1884555E-15 GRAD(Rho)x 0.9665923E-16 GRAD(Rho)y -0.1617202E-15 GRAD(Rho)z -0.4364088E-17 Laplacian 0.1174625E+00 (-1/4)Del**2(Rho)) -0.2936564E-01 Diamond 0.2030633E-01 Metallicity 0.1570363E+01 Ellipticity -0.9529456E+01 Gb(Abramov) 0.2726288E-01 Vb(Abramov) -0.2516012E-01 Hb(Abramov) 0.2102759E-02 Ex_ueg -0.6463695E-02 Ec_ueg -0.1272317E-02 Delta_ex -0.7738596E-02 Delta_ec 0.2285423E-02 Delta_et -0.2080557E-01 Pxc 0.5080255E+01 Qxc -0.3386067E+01 3,+1 121 3 +1 -0.495305 1.654922 -0.561383 Rho 0.9484206E-02 |GRAD(Rho)| 0.7136349E-17 GRAD(Rho)x -0.5600926E-17 GRAD(Rho)y 0.3679842E-17 GRAD(Rho)z 0.2452726E-17 Laplacian 0.3765402E-01 (-1/4)Del**2(Rho)) -0.9413505E-02 Diamond 0.1134288E-02 Metallicity 0.7776845E+00 Ellipticity -0.1448953E+01 Gb(Abramov) 0.7495793E-02 Vb(Abramov) -0.5578081E-02 Hb(Abramov) 0.1917712E-02 Ex_ueg -0.1482699E-02 Ec_ueg -0.3447135E-03 Delta_ex -0.1756697E-02 Delta_ec 0.5176621E-03 Delta_et -0.3637647E-02 Pxc 0.4301250E+01 Qxc -0.3393520E+01 3,+1 122 3 -1 0.847034 -2.984186 1.989092 Rho 0.1412941E+00 |GRAD(Rho)| 0.1850618E-15 GRAD(Rho)x 0.1815090E-15 GRAD(Rho)y -0.2961227E-16 GRAD(Rho)z 0.2062695E-16 Laplacian 0.5582470E+00 (-1/4)Del**2(Rho)) -0.1395617E+00 Diamond 0.1056988E+01 Metallicity 0.4731441E+01 Ellipticity 0.3213176E-01 Gb(Abramov) 0.2030959E+00 Vb(Abramov) -0.2666300E+00 Hb(Abramov) -0.6353413E-01 Ex_ueg -0.5435220E-01 Ec_ueg -0.7888561E-02 Delta_ex -0.5912347E-01 Delta_ec 0.1445311E-01 Delta_et -0.1909149E+00 Pxc 0.6890001E+01 Qxc -0.4090708E+01 3,-1 123 3 -1 0.524139 -1.717307 1.728436 Rho 0.4640125E-01 |GRAD(Rho)| 0.1269756E-14 GRAD(Rho)x 0.4265258E-15 GRAD(Rho)y 0.9226336E-15 GRAD(Rho)z -0.7609884E-15 Laplacian 0.1908295E+00 (-1/4)Del**2(Rho)) -0.4770739E-01 Diamond 0.8659642E-01 Metallicity 0.2163633E+01 Ellipticity 0.1160258E-01 Gb(Abramov) 0.4900847E-01 Vb(Abramov) -0.5030956E-01 Hb(Abramov) -0.1301086E-02 Ex_ueg -0.1231472E-01 Ec_ueg -0.2216935E-02 Delta_ex -0.1537772E-01 Delta_ec 0.5621158E-02 Delta_et -0.5810738E-01 Pxc 0.5554840E+01 Qxc -0.2735686E+01 3,-1 124 3 +1 1.738849 -1.745200 -1.737945 Rho 0.1246205E-01 |GRAD(Rho)| 0.2102351E-16 GRAD(Rho)x 0.1523721E-16 GRAD(Rho)y 0.1448115E-16 GRAD(Rho)z -0.3342953E-18 Laplacian 0.6326632E-01 (-1/4)Del**2(Rho)) -0.1581658E-01 Diamond 0.2654797E-02 Metallicity 0.7296079E+00 Ellipticity -0.1241878E+01 Gb(Abramov) 0.1246770E-01 Vb(Abramov) -0.9118827E-02 Hb(Abramov) 0.3348876E-02 Ex_ueg -0.2133884E-02 Ec_ueg -0.4809405E-03 Delta_ex -0.3136849E-02 Delta_ec 0.8137645E-03 Delta_et -0.6164014E-02 Pxc 0.4436899E+01 Qxc -0.3854738E+01 3,+1 125 3 +1 2.160588 -1.258065 1.189362 Rho 0.2846838E-01 |GRAD(Rho)| 0.7081874E-16 GRAD(Rho)x -0.6617112E-16 GRAD(Rho)y 0.2457186E-16 GRAD(Rho)z -0.5735947E-17 Laplacian 0.1165020E+00 (-1/4)Del**2(Rho)) -0.2912550E-01 Diamond 0.1989031E-01 Metallicity 0.1569945E+01 Ellipticity -0.8695755E+01 Gb(Abramov) 0.2703790E-01 Vb(Abramov) -0.2495031E-01 Hb(Abramov) 0.2087597E-02 Ex_ueg -0.6420005E-02 Ec_ueg -0.1264878E-02 Delta_ex -0.7655009E-02 Delta_ec 0.2248848E-02 Delta_et -0.2044858E-01 Pxc 0.5075591E+01 Qxc -0.3403969E+01 3,+1 126 3 -1 1.989234 -0.852424 2.986390 Rho 0.1424121E+00 |GRAD(Rho)| 0.3374109E-14 GRAD(Rho)x 0.3661757E-15 GRAD(Rho)y -0.3341023E-14 GRAD(Rho)z -0.2968003E-15 Laplacian 0.5619398E+00 (-1/4)Del**2(Rho)) -0.1404849E+00 Diamond 0.1072934E+01 Metallicity 0.4762498E+01 Ellipticity 0.3425555E-01 Gb(Abramov) 0.2051665E+00 Vb(Abramov) -0.2698481E+00 Hb(Abramov) -0.6468156E-01 Ex_ueg -0.5492637E-01 Ec_ueg -0.7959562E-02 Delta_ex -0.5961653E-01 Delta_ec 0.1449854E-01 Delta_et -0.1916938E+00 Pxc 0.6900677E+01 Qxc -0.4111899E+01 3,-1 127 3 -1 3.203022 -3.214430 -0.052657 Rho 0.2569956E+00 |GRAD(Rho)| 0.1816988E-10 GRAD(Rho)x 0.1260742E-10 GRAD(Rho)y -0.1265294E-10 GRAD(Rho)z -0.3331783E-11 Laplacian 0.9257265E+00 (-1/4)Del**2(Rho)) -0.2314316E+00 Diamond 0.3545108E+01 Metallicity 0.7732856E+01 Ellipticity 0.1147667E-02 Gb(Abramov) 0.4525590E+00 Vb(Abramov) -0.6736864E+00 Hb(Abramov) -0.2211274E+00 Ex_ueg -0.1206756E+00 Ec_ueg -0.1562187E-01 Delta_ex -0.1138223E+00 Delta_ec 0.1994527E-01 Delta_et -0.2763219E+00 Pxc 0.7724781E+01 Qxc -0.5706734E+01 3,-1 128 3 -1 2.774971 1.803383 0.562853 Rho 0.1409466E+00 |GRAD(Rho)| 0.3318275E-15 GRAD(Rho)x -0.1545462E-15 GRAD(Rho)y 0.1184762E-15 GRAD(Rho)z -0.2686789E-15 Laplacian 0.5951376E+00 (-1/4)Del**2(Rho)) -0.1487844E+00 Diamond 0.1119515E+01 Metallicity 0.4419979E+01 Ellipticity 0.9039677E-02 Gb(Abramov) 0.2087936E+00 Vb(Abramov) -0.2688028E+00 Hb(Abramov) -0.6000919E-01 Ex_ueg -0.5417405E-01 Ec_ueg -0.7866510E-02 Delta_ex -0.6294950E-01 Delta_ec 0.1534027E-01 Delta_et -0.2023968E+00 Pxc 0.6886668E+01 Qxc -0.4103546E+01 3,-1 129 3 -1 -2.730505 1.790839 -0.552866 Rho 0.1651083E+00 |GRAD(Rho)| 0.2412829E-14 GRAD(Rho)x 0.1716699E-14 GRAD(Rho)y -0.1531571E-14 GRAD(Rho)z 0.7273099E-15 Laplacian 0.6988803E+00 (-1/4)Del**2(Rho)) -0.1747201E+00 Diamond 0.1571277E+01 Metallicity 0.4899577E+01 Ellipticity 0.1546245E-01 Gb(Abramov) 0.2591558E+00 Vb(Abramov) -0.3435916E+00 Hb(Abramov) -0.8443574E-01 Ex_ueg -0.6689757E-01 Ec_ueg -0.9417578E-02 Delta_ex -0.7669829E-01 Delta_ec 0.1702651E-01 Delta_et -0.2287694E+00 Pxc 0.7103480E+01 Qxc -0.4504640E+01 3,-1 130 3 -1 -2.953576 1.977163 0.838613 Rho 0.1497890E+00 |GRAD(Rho)| 0.7765823E-14 GRAD(Rho)x 0.2387196E-14 GRAD(Rho)y 0.4652312E-14 GRAD(Rho)z -0.5741542E-14 Laplacian 0.5818827E+00 (-1/4)Del**2(Rho)) -0.1454707E+00 Diamond 0.1174749E+01 Metallicity 0.5003157E+01 Ellipticity 0.3305194E-01 Gb(Abramov) 0.2182826E+00 Vb(Abramov) -0.2910945E+00 Hb(Abramov) -0.7281189E-01 Ex_ueg -0.5875230E-01 Ec_ueg -0.8430007E-02 Delta_ex -0.6244271E-01 Delta_ec 0.1472531E-01 Delta_et -0.1958843E+00 Pxc 0.6969425E+01 Qxc -0.4240502E+01 3,-1 131 3 +1 -1.716538 1.734271 -1.732152 Rho 0.1272815E-01 |GRAD(Rho)| 0.2113627E-16 GRAD(Rho)x 0.2801998E-17 GRAD(Rho)y -0.1110247E-16 GRAD(Rho)z -0.1776587E-16 Laplacian 0.6477102E-01 (-1/4)Del**2(Rho)) -0.1619276E-01 Diamond 0.2801192E-02 Metallicity 0.7382011E+00 Ellipticity -0.1256951E+01 Gb(Abramov) 0.1278742E-01 Vb(Abramov) -0.9382089E-02 Hb(Abramov) 0.3405334E-02 Ex_ueg -0.2194854E-02 Ec_ueg -0.4932866E-03 Delta_ex -0.3230369E-02 Delta_ec 0.8346804E-03 Delta_et -0.6353775E-02 Pxc 0.4449449E+01 Qxc -0.3870187E+01 3,+1 132 3 -1 -1.785505 0.551778 -2.780360 Rho 0.1432046E+00 |GRAD(Rho)| 0.3731687E-15 GRAD(Rho)x -0.3433804E-15 GRAD(Rho)y 0.3384066E-16 GRAD(Rho)z 0.1421254E-15 Laplacian 0.6066924E+00 (-1/4)Del**2(Rho)) -0.1516731E+00 Diamond 0.1161680E+01 Metallicity 0.4452182E+01 Ellipticity 0.8993323E-02 Gb(Abramov) 0.2136614E+00 Vb(Abramov) -0.2756498E+00 Hb(Abramov) -0.6198833E-01 Ex_ueg -0.5533429E-01 Ec_ueg -0.8009939E-02 Delta_ex -0.6440442E-01 Delta_ec 0.1554779E-01 Delta_et -0.2055552E+00 Pxc 0.6908203E+01 Qxc -0.4142352E+01 3,-1 133 3 -1 -1.737859 0.545249 1.710473 Rho 0.4410190E-01 |GRAD(Rho)| 0.1197421E-13 GRAD(Rho)x -0.7716866E-14 GRAD(Rho)y -0.9092242E-14 GRAD(Rho)z -0.1078348E-14 Laplacian 0.1798687E+00 (-1/4)Del**2(Rho)) -0.4496718E-01 Diamond 0.7583440E-01 Metallicity 0.2109047E+01 Ellipticity 0.1179504E-01 Gb(Abramov) 0.4578444E-01 Vb(Abramov) -0.4660169E-01 Hb(Abramov) -0.8172560E-03 Ex_ueg -0.1150786E-01 Ec_ueg -0.2091540E-02 Delta_ex -0.1429383E-01 Delta_ec 0.5269502E-02 Delta_et -0.5373980E-01 Pxc 0.5502100E+01 Qxc -0.2712558E+01 3,-1 134 3 -1 -1.988526 0.857887 2.980449 Rho 0.1406521E+00 |GRAD(Rho)| 0.5943744E-14 GRAD(Rho)x -0.2932753E-14 GRAD(Rho)y -0.4770761E-14 GRAD(Rho)z -0.1991706E-14 Laplacian 0.5553125E+00 (-1/4)Del**2(Rho)) -0.1388281E+00 Diamond 0.1044414E+01 Metallicity 0.4720481E+01 Ellipticity 0.3040308E-01 Gb(Abramov) 0.2017747E+00 Vb(Abramov) -0.2647212E+00 Hb(Abramov) -0.6294654E-01 Ex_ueg -0.5402318E-01 Ec_ueg -0.7847828E-02 Delta_ex -0.5873358E-01 Delta_ec 0.1436824E-01 Delta_et -0.1896116E+00 Pxc 0.6883839E+01 Qxc -0.4087737E+01 3,-1 135 3 +1 -0.151317 2.878143 0.168816 Rho 0.5784181E-02 |GRAD(Rho)| 0.5197128E-17 GRAD(Rho)x 0.4601799E-17 GRAD(Rho)y -0.1998578E-17 GRAD(Rho)z 0.1356195E-17 Laplacian 0.2416495E-01 (-1/4)Del**2(Rho)) -0.6041238E-02 Diamond 0.6651650E-03 Metallicity 0.5314924E+00 Ellipticity -0.3109725E+01 Gb(Abramov) 0.4562637E-02 Vb(Abramov) -0.3084036E-02 Hb(Abramov) 0.1478601E-02 Ex_ueg -0.7668449E-03 Ec_ueg -0.1808138E-03 Delta_ex -0.1220535E-02 Delta_ec 0.7331656E-03 Delta_et -0.4170522E-02 Pxc 0.4241074E+01 Qxc -0.1664747E+01 3,+1 136 3 +1 -2.156723 1.054871 1.384938 Rho 0.3011298E-01 |GRAD(Rho)| 0.3276975E-16 GRAD(Rho)x 0.1134017E-16 GRAD(Rho)y 0.6223778E-17 GRAD(Rho)z -0.3010850E-16 Laplacian 0.1204021E+00 (-1/4)Del**2(Rho)) -0.3010052E-01 Diamond 0.1861701E-01 Metallicity 0.1668151E+01 Ellipticity -0.2931401E+01 Gb(Abramov) 0.2843571E-01 Vb(Abramov) -0.2677091E-01 Hb(Abramov) 0.1664802E-02 Ex_ueg -0.6919213E-02 Ec_ueg -0.1349436E-02 Delta_ex -0.7725513E-02 Delta_ec 0.1781144E-02 Delta_et -0.1646524E-01 Pxc 0.5127484E+01 Qxc -0.4337389E+01 3,+1 137 3 +1 -1.256516 1.208705 2.142049 Rho 0.2845632E-01 |GRAD(Rho)| 0.2798870E-16 GRAD(Rho)x 0.1715064E-16 GRAD(Rho)y -0.4111458E-17 GRAD(Rho)z 0.2173289E-16 Laplacian 0.1164199E+00 (-1/4)Del**2(Rho)) -0.2910497E-01 Diamond 0.2015457E-01 Metallicity 0.1569943E+01 Ellipticity -0.1111998E+02 Gb(Abramov) 0.2701884E-01 Vb(Abramov) -0.2493271E-01 Hb(Abramov) 0.2086132E-02 Ex_ueg -0.6416380E-02 Ec_ueg -0.1264261E-02 Delta_ex -0.7675246E-02 Delta_ec 0.2294554E-02 Delta_et -0.2085640E-01 Pxc 0.5075203E+01 Qxc -0.3344984E+01 3,+1 138 3 -1 -0.844679 -1.996561 -2.998350 Rho 0.1308939E+00 |GRAD(Rho)| 0.7696867E-12 GRAD(Rho)x 0.5683943E-12 GRAD(Rho)y -0.4428022E-12 GRAD(Rho)z 0.2706875E-12 Laplacian 0.5173969E+00 (-1/4)Del**2(Rho)) -0.1293492E+00 Diamond 0.8939152E+00 Metallicity 0.4494227E+01 Ellipticity 0.2542986E-01 Gb(Abramov) 0.1831203E+00 Vb(Abramov) -0.2368914E+00 Hb(Abramov) -0.5377106E-01 Ex_ueg -0.4908449E-01 Ec_ueg -0.7231912E-02 Delta_ex -0.5379423E-01 Delta_ec 0.1365002E-01 Delta_et -0.1781723E+00 Pxc 0.6787208E+01 Qxc -0.3940962E+01 3,-1 139 3 -1 -0.524286 -1.732884 -1.732901 Rho 0.4667457E-01 |GRAD(Rho)| 0.2616025E-13 GRAD(Rho)x 0.9036852E-14 GRAD(Rho)y -0.1751377E-13 GRAD(Rho)z -0.1720354E-13 Laplacian 0.1917088E+00 (-1/4)Del**2(Rho)) -0.4792719E-01 Diamond 0.8760871E-01 Metallicity 0.2174895E+01 Ellipticity 0.1500745E-01 Gb(Abramov) 0.4932423E-01 Vb(Abramov) -0.5072127E-01 Hb(Abramov) -0.1397041E-02 Ex_ueg -0.1241153E-01 Ec_ueg -0.2231898E-02 Delta_ex -0.1546739E-01 Delta_ec 0.5639711E-02 Delta_et -0.5838770E-01 Pxc 0.5560978E+01 Qxc -0.2742586E+01 3,-1 140 3 -1 1.726601 -0.528357 1.728174 Rho 0.4611709E-01 |GRAD(Rho)| 0.2688619E-14 GRAD(Rho)x -0.1604357E-14 GRAD(Rho)y -0.9907207E-15 GRAD(Rho)z -0.1916555E-14 Laplacian 0.1896410E+00 (-1/4)Del**2(Rho)) -0.4741024E-01 Diamond 0.8529693E-01 Metallicity 0.2155018E+01 Ellipticity 0.1251896E-01 Gb(Abramov) 0.4863515E-01 Vb(Abramov) -0.4986005E-01 Hb(Abramov) -0.1224904E-02 Ex_ueg -0.1221427E-01 Ec_ueg -0.2201392E-02 Delta_ex -0.1525627E-01 Delta_ec 0.5582599E-02 Delta_et -0.5761465E-01 Pxc 0.5548430E+01 Qxc -0.2732826E+01 3,-1 141 3 -1 -0.569689 -1.795526 2.774787 Rho 0.1388984E+00 |GRAD(Rho)| 0.1052752E-11 GRAD(Rho)x 0.6842099E-12 GRAD(Rho)y -0.7871063E-12 GRAD(Rho)z -0.1435497E-12 Laplacian 0.5869420E+00 (-1/4)Del**2(Rho)) -0.1467355E+00 Diamond 0.1086087E+01 Metallicity 0.4373679E+01 Ellipticity 0.7201472E-02 Gb(Abramov) 0.2047860E+00 Vb(Abramov) -0.2628365E+00 Hb(Abramov) -0.5805051E-01 Ex_ueg -0.5312695E-01 Ec_ueg -0.7736687E-02 Delta_ex -0.6187535E-01 Delta_ec 0.1520737E-01 Delta_et -0.2002509E+00 Pxc 0.6866886E+01 Qxc -0.4068775E+01 3,-1 142 3 +3 0.036818 2.305039 -0.021440 Rho 0.4993271E-02 |GRAD(Rho)| 0.2967012E-14 GRAD(Rho)x 0.1394433E-14 GRAD(Rho)y -0.2121058E-14 GRAD(Rho)z -0.1536174E-14 Laplacian 0.2064529E-01 (-1/4)Del**2(Rho)) -0.5161324E-02 Diamond 0.2020748E-03 Metallicity 0.4868935E+00 Ellipticity -0.3392473E+00 Gb(Abramov) 0.3859718E-02 Vb(Abramov) -0.2558113E-02 Hb(Abramov) 0.1301605E-02 Ex_ueg -0.6303261E-03 Ec_ueg -0.1466232E-03 Delta_ex -0.7671232E-03 Delta_ec 0.1875517E-03 Delta_et -0.1205190E-02 Pxc 0.4298950E+01 Qxc -0.4090196E+01 3,+3 143 3 -1 -0.538880 1.801080 -2.775352 Rho 0.1396385E+00 |GRAD(Rho)| 0.4505028E-15 GRAD(Rho)x 0.3509291E-15 GRAD(Rho)y 0.2791143E-15 GRAD(Rho)z 0.4355105E-16 Laplacian 0.5903606E+00 (-1/4)Del**2(Rho)) -0.1475902E+00 Diamond 0.1099358E+01 Metallicity 0.4387037E+01 Ellipticity 0.1004094E-01 Gb(Abramov) 0.2063073E+00 Vb(Abramov) -0.2650245E+00 Hb(Abramov) -0.5871719E-01 Ex_ueg -0.5350472E-01 Ec_ueg -0.7783567E-02 Delta_ex -0.6231569E-01 Delta_ec 0.1527520E-01 Delta_et -0.2013045E+00 Pxc 0.6874062E+01 Qxc -0.4079533E+01 3,-1 144 3 -1 -0.531287 1.734909 1.714239 Rho 0.4443634E-01 |GRAD(Rho)| 0.1867308E-15 GRAD(Rho)x -0.9591568E-16 GRAD(Rho)y 0.7433858E-16 GRAD(Rho)z 0.1419238E-15 Laplacian 0.1805757E+00 (-1/4)Del**2(Rho)) -0.4514393E-01 Diamond 0.7696560E-01 Metallicity 0.2127408E+01 Ellipticity 0.1821895E-01 Gb(Abramov) 0.4610255E-01 Vb(Abramov) -0.4706117E-01 Hb(Abramov) -0.9586186E-03 Ex_ueg -0.1162437E-01 Ec_ueg -0.2109725E-02 Delta_ex -0.1437956E-01 Delta_ec 0.5294155E-02 Delta_et -0.5410010E-01 Pxc 0.5509898E+01 Qxc -0.2716120E+01 3,-1 145 3 -1 0.847881 -1.981225 2.986659 Rho 0.1417671E+00 |GRAD(Rho)| 0.1036876E-11 GRAD(Rho)x -0.7509926E-12 GRAD(Rho)y -0.5697841E-12 GRAD(Rho)z -0.4318183E-12 Laplacian 0.5592490E+00 (-1/4)Del**2(Rho)) -0.1398122E+00 Diamond 0.1062450E+01 Metallicity 0.4749348E+01 Ellipticity 0.3365097E-01 Gb(Abramov) 0.2038777E+00 Vb(Abramov) -0.2679431E+00 Hb(Abramov) -0.6406541E-01 Ex_ueg -0.5459496E-01 Ec_ueg -0.7918594E-02 Delta_ex -0.5927037E-01 Delta_ec 0.1445393E-01 Delta_et -0.1909934E+00 Pxc 0.6894527E+01 Qxc -0.4100639E+01 3,-1 146 3 -1 0.568152 -1.808401 -2.770494 Rho 0.1416684E+00 |GRAD(Rho)| 0.1396888E-12 GRAD(Rho)x -0.8884760E-13 GRAD(Rho)y -0.1060368E-12 GRAD(Rho)z 0.1937149E-13 Laplacian 0.5970300E+00 (-1/4)Del**2(Rho)) -0.1492575E+00 Diamond 0.1127777E+01 Metallicity 0.4443635E+01 Ellipticity 0.7218057E-02 Gb(Abramov) 0.2100460E+00 Vb(Abramov) -0.2708345E+00 Hb(Abramov) -0.6078849E-01 Ex_ueg -0.5454424E-01 Ec_ueg -0.7912321E-02 Delta_ex -0.6320461E-01 Delta_ec 0.1532747E-01 Delta_et -0.2022922E+00 Pxc 0.6893583E+01 Qxc -0.4123618E+01 3,-1 147 3 +1 0.220074 2.886992 -0.208489 Rho 0.5674276E-02 |GRAD(Rho)| 0.2375926E-17 GRAD(Rho)x 0.2090260E-17 GRAD(Rho)y 0.1057353E-17 GRAD(Rho)z 0.3972982E-18 Laplacian 0.2385970E-01 (-1/4)Del**2(Rho)) -0.5964924E-02 Diamond 0.5813230E-03 Metallicity 0.5213535E+00 Ellipticity -0.1988677E+01 Gb(Abramov) 0.4494922E-02 Vb(Abramov) -0.3024920E-02 Hb(Abramov) 0.1470002E-02 Ex_ueg -0.7474790E-03 Ec_ueg -0.1760441E-03 Delta_ex -0.1154470E-02 Delta_ec 0.6416930E-03 Delta_et -0.3663308E-02 Pxc 0.4245977E+01 Qxc -0.1799100E+01 3,+1 148 3 -1 1.805359 2.771942 0.558906 Rho 0.1396507E+00 |GRAD(Rho)| 0.3460772E-15 GRAD(Rho)x 0.2415467E-15 GRAD(Rho)y -0.4119291E-16 GRAD(Rho)z -0.2443927E-15 Laplacian 0.5882421E+00 (-1/4)Del**2(Rho)) -0.1470605E+00 Diamond 0.1094166E+01 Metallicity 0.4403473E+01 Ellipticity 0.8621190E-02 Gb(Abramov) 0.2059699E+00 Vb(Abramov) -0.2648792E+00 Hb(Abramov) -0.5890935E-01 Ex_ueg -0.5351092E-01 Ec_ueg -0.7784335E-02 Delta_ex -0.6207847E-01 Delta_ec 0.1519344E-01 Delta_et -0.2001744E+00 Pxc 0.6874179E+01 Qxc -0.4085874E+01 3,-1 149 3 -1 2.775423 -1.815896 -0.556564 Rho 0.1387154E+00 |GRAD(Rho)| 0.7888814E-12 GRAD(Rho)x -0.2519397E-12 GRAD(Rho)y -0.6473896E-12 GRAD(Rho)z 0.3738275E-12 Laplacian 0.5863004E+00 (-1/4)Del**2(Rho)) -0.1465751E+00 Diamond 0.1082399E+01 Metallicity 0.4368852E+01 Ellipticity 0.8330576E-02 Gb(Abramov) 0.2044442E+00 Vb(Abramov) -0.2623133E+00 Hb(Abramov) -0.5786911E-01 Ex_ueg -0.5303361E-01 Ec_ueg -0.7725096E-02 Delta_ex -0.6177924E-01 Delta_ec 0.1518016E-01 Delta_et -0.1998207E+00 Pxc 0.6865107E+01 Qxc -0.4069736E+01 3,-1 150 3 -1 2.990494 -1.994932 0.859259 Rho 0.1424368E+00 |GRAD(Rho)| 0.4351846E-15 GRAD(Rho)x 0.7714098E-16 GRAD(Rho)y 0.1271363E-15 GRAD(Rho)z 0.4089882E-15 Laplacian 0.5634255E+00 (-1/4)Del**2(Rho)) -0.1408564E+00 Diamond 0.1076544E+01 Metallicity 0.4751314E+01 Ellipticity 0.3328982E-01 Gb(Abramov) 0.2054464E+00 Vb(Abramov) -0.2700364E+00 Hb(Abramov) -0.6459003E-01 Ex_ueg -0.5493908E-01 Ec_ueg -0.7961133E-02 Delta_ex -0.5978253E-01 Delta_ec 0.1454671E-01 Delta_et -0.1923579E+00 Pxc 0.6900913E+01 Qxc -0.4109695E+01 3,-1 151 3 -1 -1.713356 1.728730 0.509268 Rho 0.5692838E-01 |GRAD(Rho)| 0.7778279E-16 GRAD(Rho)x 0.6759746E-16 GRAD(Rho)y -0.3089299E-16 GRAD(Rho)z 0.2294273E-16 Laplacian 0.2341611E+00 (-1/4)Del**2(Rho)) -0.5854026E-01 Diamond 0.1378567E+00 Metallicity 0.2479210E+01 Ellipticity 0.1091759E-01 Gb(Abramov) 0.6321577E-01 Vb(Abramov) -0.6789128E-01 Hb(Abramov) -0.4675509E-02 Ex_ueg -0.1617423E-01 Ec_ueg -0.2801283E-02 Delta_ex -0.1978176E-01 Delta_ec 0.6727585E-02 Delta_et -0.7326166E-01 Pxc 0.5773863E+01 Qxc -0.2940395E+01 3,-1 152 3 -1 0.557189 1.723629 -1.743051 Rho 0.4793914E-01 |GRAD(Rho)| 0.1195492E-15 GRAD(Rho)x 0.7513182E-17 GRAD(Rho)y -0.9800171E-16 GRAD(Rho)z 0.6805317E-16 Laplacian 0.1982321E+00 (-1/4)Del**2(Rho)) -0.4955801E-01 Diamond 0.9406201E-01 Metallicity 0.2199157E+01 Ellipticity 0.1135615E-01 Gb(Abramov) 0.5120299E-01 Vb(Abramov) -0.5284796E-01 Hb(Abramov) -0.1644973E-02 Ex_ueg -0.1286191E-01 Ec_ueg -0.2301278E-02 Delta_ex -0.1610699E-01 Delta_ec 0.5840121E-02 Delta_et -0.6089059E-01 Pxc 0.5589029E+01 Qxc -0.2757989E+01 3,-1 153 3 -1 2.993241 1.985214 -0.855478 Rho 0.1410149E+00 |GRAD(Rho)| 0.1888606E-11 GRAD(Rho)x -0.1117880E-11 GRAD(Rho)y -0.1294286E-11 GRAD(Rho)z -0.8012506E-12 Laplacian 0.5548461E+00 (-1/4)Del**2(Rho)) -0.1387115E+00 Diamond 0.1047717E+01 Metallicity 0.4744776E+01 Ellipticity 0.3312145E-01 Gb(Abramov) 0.2021669E+00 Vb(Abramov) -0.2656222E+00 Hb(Abramov) -0.6345535E-01 Ex_ueg -0.5420906E-01 Ec_ueg -0.7870844E-02 Delta_ex -0.5873131E-01 Delta_ec 0.1436543E-01 Delta_et -0.1896864E+00 Pxc 0.6887324E+01 Qxc -0.4088379E+01 3,-1 154 3 -1 -2.777340 -0.557007 1.802876 Rho 0.1427729E+00 |GRAD(Rho)| 0.3500284E-15 GRAD(Rho)x 0.5694772E-16 GRAD(Rho)y 0.2441217E-15 GRAD(Rho)z 0.2442979E-15 Laplacian 0.6022893E+00 (-1/4)Del**2(Rho)) -0.1505723E+00 Diamond 0.1148817E+01 Metallicity 0.4462218E+01 Ellipticity 0.8178779E-02 Gb(Abramov) 0.2123626E+00 Vb(Abramov) -0.2741529E+00 Hb(Abramov) -0.6179031E-01 Ex_ueg -0.5511197E-01 Ec_ueg -0.7982490E-02 Delta_ex -0.6388712E-01 Delta_ec 0.1544150E-01 Delta_et -0.2040490E+00 Pxc 0.6904108E+01 Qxc -0.4137365E+01 3,-1 155 3 -1 -3.180287 0.062586 -3.218184 Rho 0.2568507E+00 |GRAD(Rho)| 0.3094299E-14 GRAD(Rho)x -0.1309283E-14 GRAD(Rho)y -0.2112460E-14 GRAD(Rho)z 0.1843361E-14 Laplacian 0.9332772E+00 (-1/4)Del**2(Rho)) -0.2333193E+00 Diamond 0.3564685E+01 Metallicity 0.7663086E+01 Ellipticity 0.3612357E-02 Gb(Abramov) 0.4535372E+00 Vb(Abramov) -0.6737551E+00 Hb(Abramov) -0.2202179E+00 Ex_ueg -0.1205848E+00 Ec_ueg -0.1561172E-01 Delta_ex -0.1147001E+00 Delta_ec 0.2005143E-01 Delta_et -0.2775008E+00 Pxc 0.7723993E+01 Qxc -0.5720292E+01 3,-1 156 3 -1 -3.211346 -0.055498 3.198599 Rho 0.2571615E+00 |GRAD(Rho)| 0.4627292E-15 GRAD(Rho)x -0.1568841E-15 GRAD(Rho)y -0.1449578E-15 GRAD(Rho)z 0.4104789E-15 Laplacian 0.9257827E+00 (-1/4)Del**2(Rho)) -0.2314457E+00 Diamond 0.3550798E+01 Metallicity 0.7740707E+01 Ellipticity 0.1286822E-02 Gb(Abramov) 0.4528893E+00 Vb(Abramov) -0.6743329E+00 Hb(Abramov) -0.2214436E+00 Ex_ueg -0.1207794E+00 Ec_ueg -0.1563350E-01 Delta_ex -0.1138618E+00 Delta_ec 0.1996608E-01 Delta_et -0.2767265E+00 Pxc 0.7725682E+01 Qxc -0.5702761E+01 3,-1 157 3 -1 -1.809376 -0.557263 2.775365 Rho 0.1450018E+00 |GRAD(Rho)| 0.3691434E-15 GRAD(Rho)x -0.1241411E-16 GRAD(Rho)y -0.3578545E-15 GRAD(Rho)z 0.8973806E-16 Laplacian 0.6114745E+00 (-1/4)Del**2(Rho)) -0.1528686E+00 Diamond 0.1189316E+01 Metallicity 0.4510146E+01 Ellipticity 0.8613600E-02 Gb(Abramov) 0.2168224E+00 Vb(Abramov) -0.2807761E+00 Hb(Abramov) -0.6395376E-01 Ex_ueg -0.5626215E-01 Ec_ueg -0.8124330E-02 Delta_ex -0.6511879E-01 Delta_ec 0.1563739E-01 Delta_et -0.2071485E+00 Pxc 0.6925143E+01 Qxc -0.4164299E+01 3,-1 158 3 -1 -0.849985 -2.987485 -1.991759 Rho 0.1426616E+00 |GRAD(Rho)| 0.9763230E-13 GRAD(Rho)x -0.9302746E-13 GRAD(Rho)y -0.3538063E-14 GRAD(Rho)z -0.2941835E-13 Laplacian 0.5623297E+00 (-1/4)Del**2(Rho)) -0.1405824E+00 Diamond 0.1075700E+01 Metallicity 0.4773103E+01 Ellipticity 0.3553816E-01 Gb(Abramov) 0.2055574E+00 Vb(Abramov) -0.2705323E+00 Hb(Abramov) -0.6497493E-01 Ex_ueg -0.5505473E-01 Ec_ueg -0.7975421E-02 Delta_ex -0.5968083E-01 Delta_ec 0.1449786E-01 Delta_et -0.1917250E+00 Pxc 0.6903051E+01 Qxc -0.4116528E+01 3,-1 159 3 -1 -0.531421 2.760394 -1.805708 Rho 0.1264348E+00 |GRAD(Rho)| 0.2328719E-15 GRAD(Rho)x 0.9997699E-16 GRAD(Rho)y 0.5723910E-16 GRAD(Rho)z -0.2023799E-15 Laplacian 0.5278978E+00 (-1/4)Del**2(Rho)) -0.1319744E+00 Diamond 0.8773526E+00 Metallicity 0.4157584E+01 Ellipticity 0.1155740E-01 Gb(Abramov) 0.1794321E+00 Vb(Abramov) -0.2268898E+00 Hb(Abramov) -0.4745766E-01 Ex_ueg -0.4686773E-01 Ec_ueg -0.6952541E-02 Delta_ex -0.5446183E-01 Delta_ec 0.1409809E-01 Delta_et -0.1830700E+00 Pxc 0.6741093E+01 Qxc -0.3863063E+01 3,-1 160 3 -1 -0.843612 1.988372 2.983871 Rho 0.1438066E+00 |GRAD(Rho)| 0.3867885E-09 GRAD(Rho)x 0.2846610E-09 GRAD(Rho)y 0.2088541E-09 GRAD(Rho)z -0.1579666E-09 Laplacian 0.5693040E+00 (-1/4)Del**2(Rho)) -0.1423260E+00 Diamond 0.1098085E+01 Metallicity 0.4777861E+01 Ellipticity 0.3564203E-01 Gb(Abramov) 0.2082196E+00 Vb(Abramov) -0.2741133E+00 Hb(Abramov) -0.6589365E-01 Ex_ueg -0.5564465E-01 Ec_ueg -0.8048232E-02 Delta_ex -0.6052362E-01 Delta_ec 0.1462143E-01 Delta_et -0.1935282E+00 Pxc 0.6913897E+01 Qxc -0.4139377E+01 3,-1 161 3 -1 -0.844354 2.976544 1.978075 Rho 0.1272162E+00 |GRAD(Rho)| 0.5019985E-12 GRAD(Rho)x 0.3628387E-12 GRAD(Rho)y -0.2051735E-12 GRAD(Rho)z 0.2797400E-12 Laplacian 0.5048501E+00 (-1/4)Del**2(Rho)) -0.1262125E+00 Diamond 0.8448996E+00 Metallicity 0.4392262E+01 Ellipticity 0.4075568E-01 Gb(Abramov) 0.1765348E+00 Vb(Abramov) -0.2268570E+00 Hb(Abramov) -0.5032224E-01 Ex_ueg -0.4725434E-01 Ec_ueg -0.7001403E-02 Delta_ex -0.5215629E-01 Delta_ec 0.1345446E-01 Delta_et -0.1748778E+00 Pxc 0.6749268E+01 Qxc -0.3876507E+01 3,-1 162 3 -1 0.876272 2.985945 -2.000028 Rho 0.1448000E+00 |GRAD(Rho)| 0.2129058E-15 GRAD(Rho)x -0.5552470E-16 GRAD(Rho)y -0.1014949E-15 GRAD(Rho)z 0.1787307E-15 Laplacian 0.5708437E+00 (-1/4)Del**2(Rho)) -0.1427109E+00 Diamond 0.1111787E+01 Metallicity 0.4819962E+01 Ellipticity 0.3695893E-01 Gb(Abramov) 0.2097842E+00 Vb(Abramov) -0.2768574E+00 Hb(Abramov) -0.6707323E-01 Ex_ueg -0.5615777E-01 Ec_ueg -0.8111475E-02 Delta_ex -0.6080613E-01 Delta_ec 0.1466586E-01 Delta_et -0.1943764E+00 Pxc 0.6923250E+01 Qxc -0.4146100E+01 3,-1 163 3 -1 0.572691 -2.784656 -1.801910 Rho 0.1458880E+00 |GRAD(Rho)| 0.1993156E-13 GRAD(Rho)x -0.1396036E-13 GRAD(Rho)y 0.3232854E-14 GRAD(Rho)z -0.1385366E-13 Laplacian 0.6158678E+00 (-1/4)Del**2(Rho)) -0.1539670E+00 Diamond 0.1206916E+01 Metallicity 0.4523679E+01 Ellipticity 0.8413741E-02 Gb(Abramov) 0.2187275E+00 Vb(Abramov) -0.2834880E+00 Hb(Abramov) -0.6476052E-01 Ex_ueg -0.5672109E-01 Ec_ueg -0.8180810E-02 Delta_ex -0.6568721E-01 Delta_ec 0.1573086E-01 Delta_et -0.2085804E+00 Pxc 0.6933432E+01 Qxc -0.4175690E+01 3,-1 164 3 -1 1.809246 -0.568209 -2.769128 Rho 0.1397074E+00 |GRAD(Rho)| 0.1323544E-13 GRAD(Rho)x 0.9984079E-14 GRAD(Rho)y 0.8439145E-14 GRAD(Rho)z 0.2067824E-14 Laplacian 0.5882320E+00 (-1/4)Del**2(Rho)) -0.1470580E+00 Diamond 0.1093683E+01 Metallicity 0.4406531E+01 Ellipticity 0.8277069E-02 Gb(Abramov) 0.2060413E+00 Vb(Abramov) -0.2650246E+00 Hb(Abramov) -0.5898328E-01 Ex_ueg -0.5353991E-01 Ec_ueg -0.7787931E-02 Delta_ex -0.6207261E-01 Delta_ec 0.1517216E-01 Delta_et -0.1998658E+00 Pxc 0.6874728E+01 Qxc -0.4091219E+01 3,-1 165 3 -1 0.477520 0.473489 -0.486275 Rho 0.1892088E+00 |GRAD(Rho)| 0.4355157E-13 GRAD(Rho)x -0.2790129E-13 GRAD(Rho)y -0.1761438E-13 GRAD(Rho)z 0.2842518E-13 Laplacian 0.5308702E+00 (-1/4)Del**2(Rho)) -0.1327176E+00 Diamond 0.1451576E+01 Metallicity 0.8094568E+01 Ellipticity 0.3252792E-03 Gb(Abramov) 0.2675269E+00 Vb(Abramov) -0.4023363E+00 Hb(Abramov) -0.1348094E+00 Ex_ueg -0.8022446E-01 Ec_ueg -0.1099913E-01 Delta_ex -0.6062910E-01 Delta_ec 0.1307476E-01 Delta_et -0.1801138E+00 Pxc 0.7293709E+01 Qxc -0.4637108E+01 3,-1 166 3 -1 -0.005174 -2.883536 -0.007752 Rho 0.5454052E-02 |GRAD(Rho)| 0.9184001E-17 GRAD(Rho)x -0.6124541E-17 GRAD(Rho)y 0.1245818E-17 GRAD(Rho)z 0.6729324E-17 Laplacian 0.2186479E-01 (-1/4)Del**2(Rho)) -0.5466199E-02 Diamond 0.6568557E-03 Metallicity 0.5325985E+00 Ellipticity 0.2988599E+01 Gb(Abramov) 0.4129347E-02 Vb(Abramov) -0.2792496E-02 Hb(Abramov) 0.1336851E-02 Ex_ueg -0.7090510E-03 Ec_ueg -0.1665046E-03 Delta_ex -0.1174858E-02 Delta_ec 0.8121569E-03 Delta_et -0.4477773E-02 Pxc 0.4258448E+01 Qxc -0.1446590E+01 3,-1 167 3 -1 1.985114 -2.992747 0.859892 Rho 0.1441365E+00 |GRAD(Rho)| 0.3569450E-13 GRAD(Rho)x -0.2613212E-14 GRAD(Rho)y 0.1570861E-13 GRAD(Rho)z 0.3194539E-13 Laplacian 0.5700023E+00 (-1/4)Del**2(Rho)) -0.1425006E+00 Diamond 0.1104214E+01 Metallicity 0.4790269E+01 Ellipticity 0.3512173E-01 Gb(Abramov) 0.2087697E+00 Vb(Abramov) -0.2750389E+00 Hb(Abramov) -0.6626915E-01 Ex_ueg -0.5581493E-01 Ec_ueg -0.8069229E-02 Delta_ex -0.6065021E-01 Delta_ec 0.1466400E-01 Delta_et -0.1942283E+00 Pxc 0.6917009E+01 Qxc -0.4135992E+01 3,-1 168 3 -1 2.997402 0.844763 -1.985918 Rho 0.1425275E+00 |GRAD(Rho)| 0.5715709E-15 GRAD(Rho)x 0.3456572E-15 GRAD(Rho)y 0.3535312E-15 GRAD(Rho)z 0.2867579E-15 Laplacian 0.5615950E+00 (-1/4)Del**2(Rho)) -0.1403987E+00 Diamond 0.1073245E+01 Metallicity 0.4771861E+01 Ellipticity 0.3613411E-01 Gb(Abramov) 0.2052597E+00 Vb(Abramov) -0.2701207E+00 Hb(Abramov) -0.6486096E-01 Ex_ueg -0.5498573E-01 Ec_ueg -0.7966896E-02 Delta_ex -0.5959092E-01 Delta_ec 0.1448535E-01 Delta_et -0.1915396E+00 Pxc 0.6901775E+01 Qxc -0.4113874E+01 3,-1 169 3 -1 2.776441 0.559787 1.804952 Rho 0.1414611E+00 |GRAD(Rho)| 0.2690874E-15 GRAD(Rho)x -0.6163689E-16 GRAD(Rho)y 0.1503924E-15 GRAD(Rho)z -0.2144552E-15 Laplacian 0.5975881E+00 (-1/4)Del**2(Rho)) -0.1493970E+00 Diamond 0.1128029E+01 Metallicity 0.4428666E+01 Ellipticity 0.7484057E-02 Gb(Abramov) 0.2098696E+00 Vb(Abramov) -0.2703421E+00 Hb(Abramov) -0.6047256E-01 Ex_ueg -0.5443786E-01 Ec_ueg -0.7899161E-02 Delta_ex -0.6325381E-01 Delta_ec 0.1537000E-01 Delta_et -0.2028578E+00 Pxc 0.6891600E+01 Qxc -0.4115407E+01 3,-1 170 3 -1 -2.740566 0.552747 -1.806461 Rho 0.1166569E+00 |GRAD(Rho)| 0.3292230E-13 GRAD(Rho)x 0.4419716E-14 GRAD(Rho)y -0.2094663E-13 GRAD(Rho)z -0.2501165E-13 Laplacian 0.4840852E+00 (-1/4)Del**2(Rho)) -0.1210213E+00 Diamond 0.7323958E+00 Metallicity 0.3964685E+01 Ellipticity 0.1465695E-01 Gb(Abramov) 0.1606494E+00 Vb(Abramov) -0.2002775E+00 Hb(Abramov) -0.3962811E-01 Ex_ueg -0.4209840E-01 Ec_ueg -0.6344674E-02 Delta_ex -0.4902166E-01 Delta_ec 0.1322453E-01 Delta_et -0.1694137E+00 Pxc 0.6635234E+01 Qxc -0.3706872E+01 3,-1 171 3 -1 -2.776747 -1.793478 0.559051 Rho 0.1401649E+00 |GRAD(Rho)| 0.3297381E-15 GRAD(Rho)x -0.1399298E-15 GRAD(Rho)y 0.2557226E-15 GRAD(Rho)z 0.1541193E-15 Laplacian 0.5916547E+00 (-1/4)Del**2(Rho)) -0.1479137E+00 Diamond 0.1105716E+01 Metallicity 0.4404974E+01 Ellipticity 0.8317127E-02 Gb(Abramov) 0.2072018E+00 Vb(Abramov) -0.2664899E+00 Hb(Abramov) -0.5928810E-01 Ex_ueg -0.5377378E-01 Ec_ueg -0.7816927E-02 Delta_ex -0.6249815E-01 Delta_ec 0.1527440E-01 Delta_et -0.2013662E+00 Pxc 0.6879146E+01 Qxc -0.4091693E+01 3,-1 172 3 -1 0.079839 -3.213894 -3.196927 Rho 0.2566535E+00 |GRAD(Rho)| 0.9282195E-08 GRAD(Rho)x -0.1701710E-08 GRAD(Rho)y 0.6450795E-08 GRAD(Rho)z 0.6453725E-08 Laplacian 0.9277827E+00 (-1/4)Del**2(Rho)) -0.2319457E+00 Diamond 0.3543939E+01 Metallicity 0.7698609E+01 Ellipticity 0.1898535E-02 Gb(Abramov) 0.4522403E+00 Vb(Abramov) -0.6725349E+00 Hb(Abramov) -0.2202946E+00 Ex_ueg -0.1204614E+00 Ec_ueg -0.1559791E-01 Delta_ex -0.1140188E+00 Delta_ec 0.1996866E-01 Delta_et -0.2765007E+00 Pxc 0.7722920E+01 Qxc -0.5709890E+01 3,-1 173 3 -1 2.002180 0.843949 -2.992398 Rho 0.1339727E+00 |GRAD(Rho)| 0.5106364E-15 GRAD(Rho)x 0.2809032E-15 GRAD(Rho)y 0.4227169E-15 GRAD(Rho)z -0.5615490E-16 Laplacian 0.5285371E+00 (-1/4)Del**2(Rho)) -0.1321343E+00 Diamond 0.9389437E+00 Metallicity 0.4573318E+01 Ellipticity 0.2772921E-01 Gb(Abramov) 0.1888048E+00 Vb(Abramov) -0.2454754E+00 Hb(Abramov) -0.5667058E-01 Ex_ueg -0.5062985E-01 Ec_ueg -0.7425569E-02 Delta_ex -0.5526076E-01 Delta_ec 0.1386477E-01 Delta_et -0.1816493E+00 Pxc 0.6818313E+01 Qxc -0.3985697E+01 3,-1 174 3 -1 1.812464 0.563989 2.779912 Rho 0.1351495E+00 |GRAD(Rho)| 0.1084816E-15 GRAD(Rho)x 0.2141299E-17 GRAD(Rho)y -0.9420362E-16 GRAD(Rho)z 0.5375271E-16 Laplacian 0.5712227E+00 (-1/4)Del**2(Rho)) -0.1428057E+00 Diamond 0.1024365E+01 Metallicity 0.4293700E+01 Ellipticity 0.7575440E-02 Gb(Abramov) 0.1973979E+00 Vb(Abramov) -0.2519901E+00 Hb(Abramov) -0.5459223E-01 Ex_ueg -0.5122370E-01 Ec_ueg -0.7499756E-02 Delta_ex -0.5983730E-01 Delta_ec 0.1492997E-01 Delta_et -0.1958307E+00 Pxc 0.6830049E+01 Qxc -0.4007864E+01 3,-1 175 3 -1 -0.072679 -3.194067 3.202911 Rho 0.2565600E+00 |GRAD(Rho)| 0.1398692E-14 GRAD(Rho)x 0.2602627E-15 GRAD(Rho)y 0.8364620E-15 GRAD(Rho)z -0.1090382E-14 Laplacian 0.9274412E+00 (-1/4)Del**2(Rho)) -0.2318603E+00 Diamond 0.3541333E+01 Metallicity 0.7696768E+01 Ellipticity 0.1243150E-02 Gb(Abramov) 0.4520027E+00 Vb(Abramov) -0.6721451E+00 Hb(Abramov) -0.2201424E+00 Ex_ueg -0.1204029E+00 Ec_ueg -0.1559136E-01 Delta_ex -0.1139672E+00 Delta_ec 0.1996575E-01 Delta_et -0.2764698E+00 Pxc 0.7722411E+01 Qxc -0.5708135E+01 3,-1 176 3 -1 0.467122 -0.461750 0.462329 Rho 0.1896268E+00 |GRAD(Rho)| 0.1908511E-15 GRAD(Rho)x 0.1769418E-15 GRAD(Rho)y -0.1734723E-16 GRAD(Rho)z 0.6938894E-16 Laplacian 0.5290608E+00 (-1/4)Del**2(Rho)) -0.1322652E+00 Diamond 0.1449172E+01 Metallicity 0.8152182E+01 Ellipticity 0.2225869E-02 Gb(Abramov) 0.2678851E+00 Vb(Abramov) -0.4035051E+00 Hb(Abramov) -0.1356199E+00 Ex_ueg -0.8046088E-01 Ec_ueg -0.1102686E-01 Delta_ex -0.6044660E-01 Delta_ec 0.1300574E-01 Delta_et -0.1791517E+00 Pxc 0.7296809E+01 Qxc -0.4647687E+01 3,-1 177 3 -1 1.807423 -2.783877 -0.557910 Rho 0.1383794E+00 |GRAD(Rho)| 0.3178528E-15 GRAD(Rho)x -0.3129956E-15 GRAD(Rho)y 0.4515024E-16 GRAD(Rho)z -0.3202462E-16 Laplacian 0.5851403E+00 (-1/4)Del**2(Rho)) -0.1462851E+00 Diamond 0.1077795E+01 Metallicity 0.4359859E+01 Ellipticity 0.8775319E-02 Gb(Abramov) 0.2038204E+00 Vb(Abramov) -0.2613558E+00 Hb(Abramov) -0.5753535E-01 Ex_ueg -0.5286243E-01 Ec_ueg -0.7703832E-02 Delta_ex -0.6162819E-01 Delta_ec 0.1517251E-01 Delta_et -0.1996736E+00 Pxc 0.6861836E+01 Qxc -0.4061834E+01 3,-1 178 3 -1 -0.041256 3.196367 -3.213609 Rho 0.2567018E+00 |GRAD(Rho)| 0.9338023E-08 GRAD(Rho)x -0.1886260E-08 GRAD(Rho)y 0.6537429E-08 GRAD(Rho)z -0.6395523E-08 Laplacian 0.9312171E+00 (-1/4)Del**2(Rho)) -0.2328043E+00 Diamond 0.3555397E+01 Metallicity 0.7672622E+01 Ellipticity 0.1931115E-02 Gb(Abramov) 0.4529061E+00 Vb(Abramov) -0.6730078E+00 Hb(Abramov) -0.2201018E+00 Ex_ueg -0.1204917E+00 Ec_ueg -0.1560130E-01 Delta_ex -0.1144346E+00 Delta_ec 0.2001998E-01 Delta_et -0.2771084E+00 Pxc 0.7723183E+01 Qxc -0.5716018E+01 3,-1 179 3 -1 0.073177 3.204592 3.200494 Rho 0.2573347E+00 |GRAD(Rho)| 0.3555047E-10 GRAD(Rho)x 0.6065483E-11 GRAD(Rho)y 0.2520453E-10 GRAD(Rho)z 0.2432648E-10 Laplacian 0.9274181E+00 (-1/4)Del**2(Rho)) -0.2318545E+00 Diamond 0.3559596E+01 Metallicity 0.7735736E+01 Ellipticity 0.2035183E-02 Gb(Abramov) 0.4534972E+00 Vb(Abramov) -0.6751400E+00 Hb(Abramov) -0.2216427E+00 Ex_ueg -0.1208879E+00 Ec_ueg -0.1564564E-01 Delta_ex -0.1140814E+00 Delta_ec 0.1999408E-01 Delta_et -0.2771018E+00 Pxc 0.7726622E+01 Qxc -0.5705760E+01 3,-1 180 3 -1 -0.024548 0.033675 2.892762 Rho 0.5417412E-02 |GRAD(Rho)| 0.5882922E-17 GRAD(Rho)x -0.5033341E-17 GRAD(Rho)y -0.2944116E-17 GRAD(Rho)z 0.7787390E-18 Laplacian 0.2173366E-01 (-1/4)Del**2(Rho)) -0.5433415E-02 Diamond 0.6444394E-03 Metallicity 0.5298262E+00 Ellipticity 0.3844545E+01 Gb(Abramov) 0.4102071E-02 Vb(Abramov) -0.2770727E-02 Hb(Abramov) 0.1331344E-02 Ex_ueg -0.7027070E-03 Ec_ueg -0.1649198E-03 Delta_ex -0.1164204E-02 Delta_ec 0.8034267E-03 Delta_et -0.4421864E-02 Pxc 0.4260902E+01 Qxc -0.1449048E+01 3,-1 181 3 -1 -4.259797 3.817218 -0.822914 Rho 0.3261394E+00 |GRAD(Rho)| 0.1403790E-14 GRAD(Rho)x -0.1380355E-15 GRAD(Rho)y -0.4286075E-15 GRAD(Rho)z 0.1329612E-14 Laplacian -0.1823783E+01 (-1/4)Del**2(Rho)) 0.4559457E+00 Diamond 0.6380052E+01 Metallicity -0.5838646E+01 Ellipticity 0.2117130E-02 Gb(Abramov) 0.1397204E+00 Vb(Abramov) -0.7353866E+00 Hb(Abramov) -0.5956661E+00 Ex_ueg -0.1658019E+00 Ec_ueg -0.2059753E-01 Delta_ex 0.1834750E+00 Delta_ec 0.6274146E-01 Delta_et -0.1504292E+01 Pxc 0.8049597E+01 Qxc 0.2924303E+01 3,-1 182 3 -1 -3.191975 3.199366 -0.104375 Rho 0.1786775E+00 |GRAD(Rho)| 0.1298096E-15 GRAD(Rho)x -0.2978845E-16 GRAD(Rho)y 0.8164042E-16 GRAD(Rho)z -0.9642623E-16 Laplacian 0.6977039E+00 (-1/4)Del**2(Rho)) -0.1744260E+00 Diamond 0.1769734E+01 Metallicity 0.5598328E+01 Ellipticity 0.1141262E+00 Gb(Abramov) 0.2790329E+00 Vb(Abramov) -0.3836399E+00 Hb(Abramov) -0.1046070E+00 Ex_ueg -0.7432669E-01 Ec_ueg -0.1030391E-01 Delta_ex -0.7845723E-01 Delta_ec 0.1728492E-01 Delta_et -0.2361634E+00 Pxc 0.7213441E+01 Qxc -0.4539057E+01 3,-1 183 3 -1 0.576997 1.803303 2.784719 Rho 0.1496172E+00 |GRAD(Rho)| 0.1519056E-15 GRAD(Rho)x 0.1173649E-16 GRAD(Rho)y -0.1398079E-15 GRAD(Rho)z -0.5823521E-16 Laplacian 0.6301200E+00 (-1/4)Del**2(Rho)) -0.1575300E+00 Diamond 0.1271291E+01 Metallicity 0.4611324E+01 Ellipticity 0.9500124E-02 Gb(Abramov) 0.2260903E+00 Vb(Abramov) -0.2946506E+00 Hb(Abramov) -0.6856032E-01 Ex_ueg -0.5866247E-01 Ec_ueg -0.8419013E-02 Delta_ex -0.6760913E-01 Delta_ec 0.1596681E-01 Delta_et -0.2124030E+00 Pxc 0.6967856E+01 Qxc -0.4234355E+01 3,-1 184 3 -1 0.570930 2.768196 1.804972 Rho 0.1424891E+00 |GRAD(Rho)| 0.2312352E-15 GRAD(Rho)x -0.9290257E-16 GRAD(Rho)y 0.1081492E-15 GRAD(Rho)z 0.1820511E-15 Laplacian 0.6015505E+00 (-1/4)Del**2(Rho)) -0.1503876E+00 Diamond 0.1143540E+01 Metallicity 0.4452907E+01 Ellipticity 0.7498947E-02 Gb(Abramov) 0.2118688E+00 Vb(Abramov) -0.2733499E+00 Hb(Abramov) -0.6148116E-01 Ex_ueg -0.5496596E-01 Ec_ueg -0.7964454E-02 Delta_ex -0.6376572E-01 Delta_ec 0.1540859E-01 Delta_et -0.2035084E+00 Pxc 0.6901410E+01 Qxc -0.4138323E+01 3,-1 185 3 -1 -0.568169 -2.764475 1.802023 Rho 0.1404275E+00 |GRAD(Rho)| 0.1497198E-15 GRAD(Rho)x 0.1149796E-15 GRAD(Rho)y 0.1734723E-16 GRAD(Rho)z 0.9431204E-16 Laplacian 0.5928524E+00 (-1/4)Del**2(Rho)) -0.1482131E+00 Diamond 0.1109639E+01 Metallicity 0.4409812E+01 Ellipticity 0.7559728E-02 Gb(Abramov) 0.2077407E+00 Vb(Abramov) -0.2672684E+00 Hb(Abramov) -0.5952763E-01 Ex_ueg -0.5390816E-01 Ec_ueg -0.7833580E-02 Delta_ex -0.6264442E-01 Delta_ec 0.1528261E-01 Delta_et -0.2014984E+00 Pxc 0.6881677E+01 Qxc -0.4099064E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 123 141 185 145 122 175 139 146 163 138 158 172 152 143 159 91 162 178 144 183 184 160 161 179 69 149 177 150 167 127 87 128 148 153 94 105 151 129 66 130 68 182 63 171 61 57 58 55 114 170 132 107 111 155 133 154 157 112 134 156 140 169 174 99 126 104 116 95 164 168 173 103 176 78 165 71 101 82 180 93 166 181 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 18 21 22 25 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 20 23 24 27 28 54 2.397010 1.941192 1.937188 1.945670 1.946633 1.718793 2.395622 1.934114 1.921987 1.976808 1.943458 1.718676 2.383502 1.939286 1.979990 1.919992 1.937523 1.718480 2.418779 1.912313 1.931817 1.939706 1.987472 1.717676 2.417676 1.941784 1.942545 1.943265 1.938718 1.718202 2.393200 1.935729 1.939545 1.948128 1.949751 1.719006 2.306645 1.875021 1.896348 1.926590 1.903066 1.850077 2.395971 1.937928 1.933182 1.952896 1.948445 1.718983 2.379607 2.012683 1.929201 1.936338 1.909072 1.718204 2.421074 1.930906 1.924606 1.960638 1.948702 1.717956 2.399472 1.934243 1.951794 1.939951 1.943913 1.718614 2.391321 1.925142 1.939574 1.943787 1.967996 1.718860 1.689429 1.690874 1.690174 1.702097 3.264730 3.247191 3.263762 3.220847 3.259952 0.982257 2.398769 1.941578 1.937545 1.946379 1.947331 1.718795 2.397271 1.934465 1.922332 1.977531 1.944138 1.718678 2.385206 1.939680 1.980404 1.920654 1.938188 1.718487 2.420222 1.912664 1.932167 1.940380 1.987854 1.717680 2.419490 1.942136 1.942899 1.943967 1.939423 1.718204 2.394923 1.936075 1.939901 1.948797 1.950424 1.719011 2.308019 1.875610 1.896874 1.927444 1.903968 1.851840 2.397674 1.938283 1.933578 1.953579 1.949150 1.718985 2.381338 2.013089 1.929629 1.937021 1.909665 1.718208 2.422506 1.931259 1.924953 1.961135 1.949399 1.717958 2.401246 1.934648 1.952141 1.940605 1.944622 1.718621 2.392973 1.925486 1.939925 1.944500 1.968695 1.718864 1.689430 1.690877 1.690176 1.702112 3.274538 3.256843 3.274016 3.230712 3.269565 0.982558 27 26 23 26 25 20 27 23 23 25 23 21 27 25 23 26 23 21 27 23 23 23 23 22 27 23 23 26 27 20 31 23 23 23 23 22 27 23 24 24 25 27 27 23 25 23 25 21 27 25 25 23 23 21 27 23 23 25 26 20 27 24 23 23 25 24 27 23 23 25 23 22 21 24 24 22 35 35 35 35 35 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 54 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.5479 2.5454 2.5499 2.5453 2.5425 2.5472 2.6774 2.5476 2.5489 2.5502 2.5473 2.5462 -1.1335 -1.1424 -1.1427 -1.1410 -0.9461 -0.9466 -0.9228 -0.9473 -0.9469 -0.9447 -0.9496 -0.9467 -0.9273 -0.9472 -0.9461 -0.9458 -0.9368 -0.9358 -0.9378 -0.9258 -0.9373 -0.9342 -0.9396 -0.9323 -0.9387 -0.9205 -0.9372 -0.9358 -0.7162 -0.7155 -0.7133 -0.7118 -0.7149 -0.7168 -0.6678 -0.7169 -0.7109 -0.7141 -0.7154 -0.7161 2.6183 0.3037 2.0759 2.0764 2.0733 2.0754 2.0767 2.0763 2.0596 2.0764 2.0745 2.0724 2.0756 2.0767 1.9367 1.9360 1.9361 1.9347 1.9347 1.9347 1.9412 1.9346 1.9348 1.9351 1.9343 1.9348 1.9382 1.9347 1.9348 1.9348 1.9491 1.9493 1.9492 1.9503 1.9491 1.9499 1.9488 1.9503 1.9492 1.9522 1.9492 1.9494 1.9779 1.9781 1.9781 1.9793 1.9784 1.9778 1.8786 1.9778 1.9785 1.9787 1.9781 1.9780 0.7938 0.5983 6.0716 6.0725 6.0702 6.0733 6.0739 6.0718 6.0692 6.0716 6.0699 6.0710 6.0717 6.0722 5.1562 5.1654 5.1655 5.1650 4.9809 4.9813 4.9504 4.9823 4.9820 4.9788 4.9851 4.9813 4.9583 4.9821 4.9810 4.9803 4.9542 4.9534 4.9555 4.9421 4.9551 4.9508 4.9577 4.9481 4.9565 4.9349 4.9547 4.9531 4.6988 4.6979 4.6957 4.6928 4.6970 4.6996 4.7568 4.6996 4.6927 4.6957 4.6979 4.6987 1.0459 0.0980 3.2759 3.2770 3.2780 3.2773 3.2783 3.2760 3.1630 3.2757 3.2781 3.2778 3.2767 3.2763 0.0405 0.0410 0.0411 0.0412 0.0305 0.0305 0.0312 0.0303 0.0302 0.0308 0.0302 0.0306 0.0308 0.0303 0.0303 0.0307 0.0335 0.0331 0.0330 0.0335 0.0331 0.0335 0.0331 0.0338 0.0330 0.0334 0.0333 0.0333 0.0394 0.0395 0.0396 0.0397 0.0396 0.0394 0.0324 0.0394 0.0397 0.0396 0.0395 0.0394 10.5420 0.0000 14.0287 14.0287 14.0286 14.0287 14.0287 14.0287 14.0307 14.0287 14.0285 14.0287 14.0287 14.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.528158 2.526433 2.527464 2.525729 2.526973 2.527075 2.577137 2.527039 2.525920 2.526082 2.528318 2.526739 -1.098217 -1.099552 -1.099566 -1.092337 -0.934191 -0.933871 -0.908675 -0.934731 -0.935991 -0.931387 -0.936054 -0.933666 -0.921313 -0.934680 -0.934692 -0.932790 -0.897418 -0.897996 -0.898396 -0.889998 -0.898149 -0.895062 -0.900733 -0.892842 -0.899045 -0.879362 -0.897880 -0.897416 -0.736712 -0.735888 -0.732673 -0.730577 -0.734739 -0.737673 -0.492677 -0.737653 -0.729650 -0.733336 -0.735691 -0.736767 2.333621 0.173359 1.951927 1.951833 1.954246 1.953530 1.952127 1.950651 1.838385 1.950517 1.953968 1.951223 1.952715 1.951448 -0.779322 -0.779380 -0.778573 -0.757924 -0.700575 -0.701135 -0.665675 -0.700146 -0.701572 -0.703092 -0.698704 -0.701843 -0.672986 -0.701068 -0.699955 -0.700970 -0.726814 -0.728623 -0.729204 -0.696201 -0.728023 -0.729711 -0.728791 -0.728589 -0.729390 -0.686092 -0.727793 -0.728111 -0.615692 -0.613326 -0.608281 -0.606083 -0.612608 -0.616666 -0.621029 -0.616674 -0.603872 -0.610330 -0.614179 -0.614852 1.697614 0.453668 2.048160 2.046936 2.048483 2.044176 2.047533 2.046650 2.073386 2.047005 2.045441 2.044246 2.048637 2.046974 -0.826939 -0.822112 -0.822903 -0.809512 -0.777079 -0.777712 -0.768593 -0.778340 -0.778575 -0.778191 -0.777738 -0.778025 -0.775373 -0.778202 -0.777753 -0.776722 -0.759381 -0.762351 -0.762178 -0.744657 -0.760414 -0.758867 -0.766218 -0.756180 -0.763052 -0.731398 -0.760141 -0.759441 -0.584053 -0.582204 -0.578041 -0.575263 -0.581013 -0.585320 -0.622650 -0.585065 -0.573923 -0.578796 -0.582539 -0.583713 1.658559 0.454440 -8.39654447 7.08057943 -2.04882396 11.17292458 15.80495760 -35.14525256 11.01477839 4.08725724 -8.00940472 -19.89221484 -422.7788 412.9649 -55.2279 -388.4695 -5.1262 -458.6375 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 Mar06-2024 00:18:14 Nodes: 1 Procs: 1 0 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Mar06-2024 00:18:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Mar06-2024 00:18:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 00:18:17 Nodes: 1 Procs: 1 Mar06-2024 00:18:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar06-2024 00:18:19 Nodes: 1 Procs: 28 *** (NO TITLE) *** -2 -16.77732531 -16.84228357 -16.84700073 -16.84939508 -16.85047888 -16.85233690 -16.85289980 -16.85360673 -16.85397162 -16.85427776 -16.85440020 -16.85446000 -16.85456144 -16.85458531 -16.85461763 GEOMETRY CONVERGED