ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:23:34 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.06 2.81 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 03:23:34 Nodes: 1 Procs: 1 Jun12-2024 03:23:38 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:23:42 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 2.21 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 03:23:34 Nodes: 1 Procs: 1 Jun12-2024 03:23:38 Nodes: 1 Procs: 1 0 Jun12-2024 03:23:42 Nodes: 1 Procs: 1 Jun12-2024 03:23:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:23:48 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.65 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 03:23:34 Nodes: 1 Procs: 1 Jun12-2024 03:23:38 Nodes: 1 Procs: 1 0 Jun12-2024 03:23:42 Nodes: 1 Procs: 1 Jun12-2024 03:23:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:23:48 Nodes: 1 Procs: 1 Jun12-2024 03:23:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:23:52 Arsenic (TZP, 3p frozen) c2-53 c2-53 c2-53 c2-53 c2-53 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.74 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun12-2024 03:23:34 Nodes: 1 Procs: 1 Jun12-2024 03:23:38 Nodes: 1 Procs: 1 0 Jun12-2024 03:23:42 Nodes: 1 Procs: 1 Jun12-2024 03:23:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:23:48 Nodes: 1 Procs: 1 Jun12-2024 03:23:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 03:23:52 Nodes: 1 Procs: 1 Jun12-2024 03:23:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:24:01 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2305.6775999999995 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun12-2024 03:23:45 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun12-2024 03:23:55 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 03:23:50 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun12-2024 03:23:38 1 1 Arsenic TZP 3p 1 1 -16.41028239 0.17575147 0.00100000 F 0.04744547 0.00066667 F 0.17575147 0.04744547 0.06190290 0.01000000 F 0.02119501 0.00666667 F Cartesian 2305.6775999999995 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3.822203 0.213951 -3.685415 3.816041 -0.219860 -3.689279 -3.824338 0.209241 -3.813410 0.206520 -3.680989 -3.816949 -0.202001 3.685646 3.808898 0.203606 3.675290 3.825973 -0.210079 -3.686843 0.001771 0.006448 0.001598 1 3 -3 0.093253 -2.495641 2.623480 Rho 0.1240648E+06 3,-3 2 3 -3 -0.119559 2.501029 2.630154 Rho 0.1240648E+06 3,-3 3 3 -3 2.498584 -2.636541 0.117473 Rho 0.1240648E+06 3,-3 4 3 -3 2.492577 2.633260 -0.099338 Rho 0.1240648E+06 3,-3 5 3 -3 -2.498969 2.620179 0.100302 Rho 0.1240648E+06 3,-3 6 3 -3 -2.503556 -2.629823 -0.116350 Rho 0.1240648E+06 3,-3 7 3 -3 2.639498 0.107919 -2.489517 Rho 0.1240648E+06 3,-3 8 3 -3 -0.099246 -2.485160 -2.610266 Rho 0.4361414E+07 3,-3 9 3 -3 0.122690 2.487519 -2.610362 Rho 0.4361414E+07 3,-3 10 3 -3 -2.604281 -0.111112 -2.491657 Rho 0.4361414E+07 3,-3 11 3 -3 -2.618167 0.112338 2.483870 Rho 0.4361414E+07 3,-3 12 3 -3 2.605942 -0.111550 2.478095 Rho 0.4361414E+07 3,-3 13 3 -3 0.986569 -0.968364 0.977521 Rho 0.3190257E+03 3,-3 14 3 -3 -0.966828 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3,-3 48 3 -3 -3.689279 -3.824338 0.209241 Rho 0.3195473E+03 3,-3 49 3 -3 -3.813410 0.206520 -3.680989 Rho 0.3193984E+03 3,-3 50 3 -3 -3.816949 -0.202001 3.685646 Rho 0.3193990E+03 3,-3 51 3 -3 3.808898 0.203606 3.675290 Rho 0.3194000E+03 3,-3 52 3 -3 3.825973 -0.210079 -3.686843 Rho 0.3195434E+03 3,-3 53 3 -3 0.001771 0.006448 0.001598 Rho 0.4276078E+05 3,-3 54 3 +1 -0.535034 0.532133 -1.663406 Rho 0.9065056E-02 |GRAD(Rho)| 0.2566266E-13 GRAD(Rho)x 0.2028744E-13 GRAD(Rho)y -0.1187105E-13 GRAD(Rho)z 0.1029903E-13 Laplacian 0.3546261E-01 (-1/4)Del**2(Rho)) -0.8865652E-02 Diamond 0.1006664E-02 Metallicity 0.7658198E+00 Ellipticity -0.1449683E+01 Gb(Abramov) 0.7042017E-02 Vb(Abramov) -0.5218381E-02 Hb(Abramov) 0.1823635E-02 Ex_ueg -0.1395979E-02 Ec_ueg -0.3258357E-03 Delta_ex -0.1636402E-02 Delta_ec 0.4892606E-03 Delta_et -0.3397379E-02 Pxc 0.4284305E+01 Qxc -0.3344642E+01 3,+1 55 3 +1 -1.669481 -0.560863 0.507758 Rho 0.8720981E-02 |GRAD(Rho)| 0.2378680E-17 GRAD(Rho)x 0.2300846E-17 GRAD(Rho)y -0.3788950E-18 GRAD(Rho)z 0.4697526E-18 Laplacian 0.3400403E-01 (-1/4)Del**2(Rho)) -0.8501008E-02 Diamond 0.9358766E-03 Metallicity 0.7487871E+00 Ellipticity -0.1462220E+01 Gb(Abramov) 0.6728246E-02 Vb(Abramov) -0.4955484E-02 Hb(Abramov) 0.1772762E-02 Ex_ueg -0.1325782E-02 Ec_ueg -0.3103964E-03 Delta_ex -0.1562655E-02 Delta_ec 0.4851187E-03 Delta_et -0.3322331E-02 Pxc 0.4271255E+01 Qxc -0.3221180E+01 3,+1 56 3 +1 1.665584 0.555131 0.512957 Rho 0.8908882E-02 |GRAD(Rho)| 0.1104654E-14 GRAD(Rho)x 0.7241822E-15 GRAD(Rho)y 0.7335231E-15 GRAD(Rho)z 0.3971947E-15 Laplacian 0.3458197E-01 (-1/4)Del**2(Rho)) -0.8645493E-02 Diamond 0.9726730E-03 Metallicity 0.7629020E+00 Ellipticity -0.1468217E+01 Gb(Abramov) 0.6862939E-02 Vb(Abramov) -0.5080386E-02 Hb(Abramov) 0.1782554E-02 Ex_ueg -0.1364005E-02 Ec_ueg -0.3188214E-03 Delta_ex -0.1594729E-02 Delta_ec 0.4878598E-03 Delta_et -0.3363864E-02 Pxc 0.4278273E+01 Qxc -0.3268827E+01 3,+1 57 3 -1 -1.702832 -1.768807 -0.543691 Rho 0.4211304E-01 |GRAD(Rho)| 0.2589760E-15 GRAD(Rho)x 0.1171235E-17 GRAD(Rho)y -0.1930574E-15 GRAD(Rho)z -0.1726153E-15 Laplacian 0.1775763E+00 (-1/4)Del**2(Rho)) -0.4439407E-01 Diamond 0.7270871E-01 Metallicity 0.1978135E+01 Ellipticity 0.1155402E-01 Gb(Abramov) 0.4423229E-01 Vb(Abramov) -0.4407051E-01 Hb(Abramov) 0.1617809E-03 Ex_ueg -0.1082116E-01 Ec_ueg -0.1983790E-02 Delta_ex -0.1407956E-01 Delta_ec 0.5435705E-02 Delta_et -0.5479469E-01 Pxc 0.5454793E+01 Qxc -0.2590200E+01 3,-1 58 3 +1 0.551041 -0.505288 -1.673593 Rho 0.8801598E-02 |GRAD(Rho)| 0.1996991E-16 GRAD(Rho)x 0.1297248E-16 GRAD(Rho)y 0.4152973E-17 GRAD(Rho)z -0.1460359E-16 Laplacian 0.3427700E-01 (-1/4)Del**2(Rho)) -0.8569251E-02 Diamond 0.9515885E-03 Metallicity 0.7543036E+00 Ellipticity -0.1462939E+01 Gb(Abramov) 0.6790137E-02 Vb(Abramov) -0.5011023E-02 Hb(Abramov) 0.1779114E-02 Ex_ueg -0.1342148E-02 Ec_ueg -0.3140092E-03 Delta_ex -0.1577251E-02 Delta_ec 0.4861218E-03 Delta_et -0.3339405E-02 Pxc 0.4274232E+01 Qxc -0.3244559E+01 3,+1 59 3 +1 -2.903564 -0.186436 -0.165272 Rho 0.5397957E-02 |GRAD(Rho)| 0.1099199E-15 GRAD(Rho)x 0.1692735E-16 GRAD(Rho)y -0.8503035E-16 GRAD(Rho)z -0.6756990E-16 Laplacian 0.2224071E-01 (-1/4)Del**2(Rho)) -0.5560178E-02 Diamond 0.5411449E-03 Metallicity 0.5146518E+00 Ellipticity -0.2469106E+01 Gb(Abramov) 0.4183712E-02 Vb(Abramov) -0.2807245E-02 Hb(Abramov) 0.1376467E-02 Ex_ueg -0.6993442E-03 Ec_ueg -0.1640785E-03 Delta_ex -0.1094032E-02 Delta_ec 0.6497991E-03 Delta_et -0.3631238E-02 Pxc 0.4262253E+01 Qxc -0.1683646E+01 3,+1 60 3 +1 -1.305263 -1.152171 -2.174056 Rho 0.2939405E-01 |GRAD(Rho)| 0.3827509E-15 GRAD(Rho)x -0.3547039E-16 GRAD(Rho)y 0.3239883E-15 GRAD(Rho)z -0.2006780E-15 Laplacian 0.1198909E+00 (-1/4)Del**2(Rho)) -0.2997271E-01 Diamond 0.2074501E-01 Metallicity 0.1609136E+01 Ellipticity -0.6535054E+01 Gb(Abramov) 0.2802017E-01 Vb(Abramov) -0.2606763E-01 Hb(Abramov) 0.1952542E-02 Ex_ueg -0.6699837E-02 Ec_ueg -0.1312394E-02 Delta_ex -0.7888192E-02 Delta_ec 0.2213614E-02 Delta_et -0.2029913E-01 Pxc 0.5105050E+01 Qxc -0.3563491E+01 3,+1 61 3 +1 -2.156830 -1.409552 -1.060485 Rho 0.2745457E-01 |GRAD(Rho)| 0.3601980E-16 GRAD(Rho)x 0.3580141E-16 GRAD(Rho)y 0.2929725E-18 GRAD(Rho)z -0.3949590E-17 Laplacian 0.1097561E+00 (-1/4)Del**2(Rho)) -0.2743903E-01 Diamond 0.1580370E-01 Metallicity 0.1568709E+01 Ellipticity -0.3246815E+01 Gb(Abramov) 0.2546666E-01 Vb(Abramov) -0.2349429E-01 Hb(Abramov) 0.1972369E-02 Ex_ueg -0.6116993E-02 Ec_ueg -0.1213075E-02 Delta_ex -0.6949125E-02 Delta_ec 0.1772223E-02 Delta_et -0.1601805E-01 Pxc 0.5042552E+01 Qxc -0.3921136E+01 3,+1 62 3 -1 -3.018842 -0.870513 -1.947469 Rho 0.1506725E+00 |GRAD(Rho)| 0.2083391E-14 GRAD(Rho)x 0.7987453E-15 GRAD(Rho)y 0.1676475E-14 GRAD(Rho)z -0.9444350E-15 Laplacian 0.5920795E+00 (-1/4)Del**2(Rho)) -0.1480199E+00 Diamond 0.1210468E+01 Metallicity 0.4965423E+01 Ellipticity 0.4747999E-01 Gb(Abramov) 0.2211768E+00 Vb(Abramov) -0.2943338E+00 Hb(Abramov) -0.7315694E-01 Ex_ueg -0.5921480E-01 Ec_ueg -0.8486576E-02 Delta_ex -0.6369487E-01 Delta_ec 0.1507918E-01 Delta_et -0.2010288E+00 Pxc 0.6977467E+01 Qxc -0.4224027E+01 3,-1 63 3 +1 -1.741966 -1.748904 1.750007 Rho 0.1198243E-01 |GRAD(Rho)| 0.5658784E-15 GRAD(Rho)x -0.2647196E-15 GRAD(Rho)y -0.2131304E-15 GRAD(Rho)z -0.4524569E-15 Laplacian 0.6021215E-01 (-1/4)Del**2(Rho)) -0.1505304E-01 Diamond 0.2411669E-02 Metallicity 0.7180764E+00 Ellipticity -0.1247937E+01 Gb(Abramov) 0.1183690E-01 Vb(Abramov) -0.8620756E-02 Hb(Abramov) 0.3216141E-02 Ex_ueg -0.2025093E-02 Ec_ueg -0.4587581E-03 Delta_ex -0.2959650E-02 Delta_ec 0.7835178E-03 Delta_et -0.5871462E-02 Pxc 0.4414295E+01 Qxc -0.3777387E+01 3,+1 64 3 +1 -1.747994 1.745125 -1.731255 Rho 0.1214196E-01 |GRAD(Rho)| 0.7755271E-14 GRAD(Rho)x 0.6575214E-14 GRAD(Rho)y 0.2598723E-14 GRAD(Rho)z -0.3187071E-14 Laplacian 0.6111431E-01 (-1/4)Del**2(Rho)) -0.1527858E-01 Diamond 0.2481473E-02 Metallicity 0.7232437E+00 Ellipticity -0.1244680E+01 Gb(Abramov) 0.1202741E-01 Vb(Abramov) -0.8776237E-02 Hb(Abramov) 0.3251170E-02 Ex_ueg -0.2061120E-02 Ec_ueg -0.4661261E-03 Delta_ex -0.3011325E-02 Delta_ec 0.7896028E-03 Delta_et -0.5940545E-02 Pxc 0.4421807E+01 Qxc -0.3813721E+01 3,+1 65 3 -1 -3.134130 3.259898 -0.070060 Rho 0.2413332E+00 |GRAD(Rho)| 0.7299881E-12 GRAD(Rho)x 0.5036848E-12 GRAD(Rho)y -0.5099292E-12 GRAD(Rho)z 0.1384067E-12 Laplacian 0.8627721E+00 (-1/4)Del**2(Rho)) -0.2156930E+00 Diamond 0.3085932E+01 Metallicity 0.7471578E+01 Ellipticity 0.4016653E-03 Gb(Abramov) 0.4123899E+00 Vb(Abramov) -0.6090868E+00 Hb(Abramov) -0.1966969E+00 Ex_ueg -0.1109706E+00 Ec_ueg -0.1453133E-01 Delta_ex -0.1044661E+00 Delta_ec 0.1916142E-01 Delta_et -0.2660612E+00 Pxc 0.7636647E+01 Qxc -0.5451897E+01 3,-1 66 3 -1 -2.903535 0.013433 0.025968 Rho 0.5454632E-02 |GRAD(Rho)| 0.3013475E-16 GRAD(Rho)x -0.3841527E-17 GRAD(Rho)y 0.2981983E-16 GRAD(Rho)z 0.2030618E-17 Laplacian 0.2178096E-01 (-1/4)Del**2(Rho)) -0.5445240E-02 Diamond 0.6553176E-03 Metallicity 0.5347432E+00 Ellipticity 0.2854970E+01 Gb(Abramov) 0.4115461E-02 Vb(Abramov) -0.2785682E-02 Hb(Abramov) 0.1329779E-02 Ex_ueg -0.7091515E-03 Ec_ueg -0.1665296E-03 Delta_ex -0.1171109E-02 Delta_ec 0.8103523E-03 Delta_et -0.4467524E-02 Pxc 0.4258410E+01 Qxc -0.1445185E+01 3,-1 67 3 +1 -2.894358 0.167049 0.172166 Rho 0.5427032E-02 |GRAD(Rho)| 0.5818199E-17 GRAD(Rho)x 0.9961975E-18 GRAD(Rho)y -0.7471030E-18 GRAD(Rho)z 0.5683385E-17 Laplacian 0.2224664E-01 (-1/4)Del**2(Rho)) -0.5561661E-02 Diamond 0.5577291E-03 Metallicity 0.5191418E+00 Ellipticity -0.2920495E+01 Gb(Abramov) 0.4188989E-02 Vb(Abramov) -0.2816317E-02 Hb(Abramov) 0.1372672E-02 Ex_ueg -0.7043712E-03 Ec_ueg -0.1653358E-03 Delta_ex -0.1105918E-02 Delta_ec 0.6685696E-03 Delta_et -0.3734082E-02 Pxc 0.4260247E+01 Qxc -0.1654155E+01 3,+1 68 3 -1 -2.807707 -0.574471 1.767944 Rho 0.1576773E+00 |GRAD(Rho)| 0.3818871E-14 GRAD(Rho)x 0.4260643E-15 GRAD(Rho)y 0.2595688E-14 GRAD(Rho)z 0.2768510E-14 Laplacian 0.6624607E+00 (-1/4)Del**2(Rho)) -0.1656152E+00 Diamond 0.1417339E+01 Metallicity 0.4787052E+01 Ellipticity 0.1942285E-01 Gb(Abramov) 0.2425449E+00 Vb(Abramov) -0.3194745E+00 Hb(Abramov) -0.7692968E-01 Ex_ueg -0.6291349E-01 Ec_ueg -0.8936766E-02 Delta_ex -0.7194794E-01 Delta_ec 0.1646506E-01 Delta_et -0.2203285E+00 Pxc 0.7039850E+01 Qxc -0.4369734E+01 3,-1 69 3 -1 -3.267034 -0.057125 3.134597 Rho 0.2512796E+00 |GRAD(Rho)| 0.4466327E-15 GRAD(Rho)x 0.3415237E-15 GRAD(Rho)y 0.9681925E-16 GRAD(Rho)z -0.2710505E-15 Laplacian 0.9197826E+00 (-1/4)Del**2(Rho)) -0.2299456E+00 Diamond 0.3421583E+01 Metallicity 0.7496466E+01 Ellipticity 0.2201577E-02 Gb(Abramov) 0.4405937E+00 Vb(Abramov) -0.6512418E+00 Hb(Abramov) -0.2106481E+00 Ex_ueg -0.1171102E+00 Ec_ueg -0.1522232E-01 Delta_ex -0.1123911E+00 Delta_ec 0.1989471E-01 Delta_et -0.2752435E+00 Pxc 0.7693320E+01 Qxc -0.5649299E+01 3,-1 70 3 -1 -3.258915 0.060169 -3.135734 Rho 0.2518771E+00 |GRAD(Rho)| 0.1848212E-15 GRAD(Rho)x -0.1026739E-15 GRAD(Rho)y 0.1025113E-15 GRAD(Rho)z -0.1144917E-15 Laplacian 0.9179950E+00 (-1/4)Del**2(Rho)) -0.2294987E+00 Diamond 0.3426820E+01 Metallicity 0.7540856E+01 Ellipticity 0.1670264E-02 Gb(Abramov) 0.4414353E+00 Vb(Abramov) -0.6533719E+00 Hb(Abramov) -0.2119366E+00 Ex_ueg -0.1174816E+00 Ec_ueg -0.1526400E-01 Delta_ex -0.1122533E+00 Delta_ec 0.1986044E-01 Delta_et -0.2748696E+00 Pxc 0.7696646E+01 Qxc -0.5652104E+01 3,-1 71 3 -1 -2.801863 0.568695 -1.762476 Rho 0.1522190E+00 |GRAD(Rho)| 0.1225963E-15 GRAD(Rho)x 0.1069904E-15 GRAD(Rho)y -0.4203994E-16 GRAD(Rho)z -0.4260915E-16 Laplacian 0.6387405E+00 (-1/4)Del**2(Rho)) -0.1596851E+00 Diamond 0.1311545E+01 Metallicity 0.4681701E+01 Ellipticity 0.1559099E-01 Gb(Abramov) 0.2310564E+00 Vb(Abramov) -0.3024277E+00 Hb(Abramov) -0.7137130E-01 Ex_ueg -0.6002660E-01 Ec_ueg -0.8585716E-02 Delta_ex -0.6878542E-01 Delta_ec 0.1604435E-01 Delta_et -0.2137724E+00 Pxc 0.6991449E+01 Qxc -0.4287206E+01 3,-1 72 3 +3 -1.119459 1.117095 -1.098167 Rho 0.5264668E-02 |GRAD(Rho)| 0.1443965E-15 GRAD(Rho)x -0.1417639E-15 GRAD(Rho)y 0.2421515E-16 GRAD(Rho)z 0.1292143E-16 Laplacian 0.2051355E-01 (-1/4)Del**2(Rho)) -0.5128388E-02 Diamond 0.1520141E-03 Metallicity 0.5352096E+00 Ellipticity -0.4749832E-01 Gb(Abramov) 0.3876386E-02 Vb(Abramov) -0.2624383E-02 Hb(Abramov) 0.1252002E-02 Ex_ueg -0.6764147E-03 Ec_ueg -0.1583203E-03 Delta_ex -0.7174668E-03 Delta_ec 0.8768223E-04 Delta_et -0.7079682E-03 Pxc 0.4272446E+01 Qxc -0.8182580E+01 3,+3 73 3 -1 -3.028143 0.877297 1.954739 Rho 0.1556427E+00 |GRAD(Rho)| 0.3153872E-15 GRAD(Rho)x -0.6220610E-16 GRAD(Rho)y -0.2176536E-15 GRAD(Rho)z -0.2196052E-15 Laplacian 0.6105223E+00 (-1/4)Del**2(Rho)) -0.1526306E+00 Diamond 0.1297016E+01 Metallicity 0.5083072E+01 Ellipticity 0.5265897E-01 Gb(Abramov) 0.2310591E+00 Vb(Abramov) -0.3094876E+00 Hb(Abramov) -0.7842851E-01 Ex_ueg -0.6183344E-01 Ec_ueg -0.8805701E-02 Delta_ex -0.6619861E-01 Delta_ec 0.1541052E-01 Delta_et -0.2063283E+00 Pxc 0.7021978E+01 Qxc -0.4295677E+01 3,-1 74 3 +1 -2.171820 1.418448 1.052790 Rho 0.2779775E-01 |GRAD(Rho)| 0.3711157E-16 GRAD(Rho)x -0.3558235E-16 GRAD(Rho)y 0.4628660E-17 GRAD(Rho)z -0.9473139E-17 Laplacian 0.1112254E+00 (-1/4)Del**2(Rho)) -0.2780635E-01 Diamond 0.1587532E-01 Metallicity 0.1580369E+01 Ellipticity -0.2959907E+01 Gb(Abramov) 0.2586162E-01 Vb(Abramov) -0.2391688E-01 Hb(Abramov) 0.1944735E-02 Ex_ueg -0.6219152E-02 Ec_ueg -0.1230582E-02 Delta_ex -0.7026591E-02 Delta_ec 0.1725806E-02 Delta_et -0.1565552E-01 Pxc 0.5053829E+01 Qxc -0.4071483E+01 3,+1 75 3 -1 -0.842241 2.964591 2.040980 Rho 0.1230651E+00 |GRAD(Rho)| 0.2105376E-12 GRAD(Rho)x 0.1740142E-12 GRAD(Rho)y -0.7468879E-13 GRAD(Rho)z 0.9201480E-13 Laplacian 0.4764046E+00 (-1/4)Del**2(Rho)) -0.1191011E+00 Diamond 0.7576549E+00 Metallicity 0.4404147E+01 Ellipticity 0.3633923E-01 Gb(Abramov) 0.1668239E+00 Vb(Abramov) -0.2145467E+00 Hb(Abramov) -0.4772278E-01 Ex_ueg -0.4520968E-01 Ec_ueg -0.6742308E-02 Delta_ex -0.4871843E-01 Delta_ec 0.1259970E-01 Delta_et -0.1625144E+00 Pxc 0.6705370E+01 Qxc -0.3866635E+01 3,-1 76 3 -1 -3.138272 -3.268900 0.057180 Rho 0.2416274E+00 |GRAD(Rho)| 0.2896907E-14 GRAD(Rho)x -0.2555790E-14 GRAD(Rho)y -0.3868975E-15 GRAD(Rho)z -0.1307792E-14 Laplacian 0.8611447E+00 (-1/4)Del**2(Rho)) -0.2152862E+00 Diamond 0.3086325E+01 Metallicity 0.7500912E+01 Ellipticity 0.1334374E-02 Gb(Abramov) 0.4126645E+00 Vb(Abramov) -0.6100429E+00 Hb(Abramov) -0.1973784E+00 Ex_ueg -0.1111510E+00 Ec_ueg -0.1455168E-01 Delta_ex -0.1043111E+00 Delta_ec 0.1913433E-01 Delta_et -0.2657671E+00 Pxc 0.7638359E+01 Qxc -0.5451517E+01 3,-1 77 3 -1 -2.750349 1.846446 -0.546264 Rho 0.1205627E+00 |GRAD(Rho)| 0.1109901E-15 GRAD(Rho)x 0.9100522E-17 GRAD(Rho)y -0.1101075E-15 GRAD(Rho)z -0.1059808E-16 Laplacian 0.5032114E+00 (-1/4)Del**2(Rho)) -0.1258029E+00 Diamond 0.7767791E+00 Metallicity 0.4029189E+01 Ellipticity 0.2530331E-02 Gb(Abramov) 0.1683492E+00 Vb(Abramov) -0.2108955E+00 Hb(Abramov) -0.4254630E-01 Ex_ueg -0.4398815E-01 Ec_ueg -0.6586695E-02 Delta_ex -0.5115429E-01 Delta_ec 0.1327829E-01 Delta_et -0.1705089E+00 Pxc 0.6678335E+01 Qxc -0.3852477E+01 3,-1 78 3 +1 -1.666412 0.531250 -0.527160 Rho 0.8876254E-02 |GRAD(Rho)| 0.3482346E-15 GRAD(Rho)x 0.2489561E-15 GRAD(Rho)y -0.1325505E-15 GRAD(Rho)z 0.2042512E-15 Laplacian 0.3444263E-01 (-1/4)Del**2(Rho)) -0.8610658E-02 Diamond 0.9621986E-03 Metallicity 0.7613185E+00 Ellipticity -0.1464722E+01 Gb(Abramov) 0.6833014E-02 Vb(Abramov) -0.5055371E-02 Hb(Abramov) 0.1777644E-02 Ex_ueg -0.1357349E-02 Ec_ueg -0.3173574E-03 Delta_ex -0.1586082E-02 Delta_ec 0.4845668E-03 Delta_et -0.3339078E-02 Pxc 0.4277035E+01 Qxc -0.3273196E+01 3,+1 79 3 +3 -2.321012 -0.028117 -0.013712 Rho 0.4719203E-02 |GRAD(Rho)| 0.5280230E-17 GRAD(Rho)x -0.5226291E-17 GRAD(Rho)y -0.2913923E-19 GRAD(Rho)z 0.7522373E-18 Laplacian 0.1921426E-01 (-1/4)Del**2(Rho)) -0.4803565E-02 Diamond 0.1754867E-03 Metallicity 0.4761794E+00 Ellipticity -0.3123049E+00 Gb(Abramov) 0.3583603E-02 Vb(Abramov) -0.2363641E-02 Hb(Abramov) 0.1219962E-02 Ex_ueg -0.5846239E-03 Ec_ueg -0.1348490E-03 Delta_ex -0.7049601E-03 Delta_ec 0.1768884E-03 Delta_et -0.1118246E-02 Pxc 0.4335396E+01 Qxc -0.3985338E+01 3,+3 80 3 +1 0.515367 1.675064 0.556017 Rho 0.8593474E-02 |GRAD(Rho)| 0.1178004E-16 GRAD(Rho)x 0.1186597E-17 GRAD(Rho)y -0.9462867E-17 GRAD(Rho)z -0.6914879E-17 Laplacian 0.3309562E-01 (-1/4)Del**2(Rho)) -0.8273905E-02 Diamond 0.9044424E-03 Metallicity 0.7506842E+00 Ellipticity -0.1486283E+01 Gb(Abramov) 0.6551118E-02 Vb(Abramov) -0.4828332E-02 Hb(Abramov) 0.1722787E-02 Ex_ueg -0.1300000E-02 Ec_ueg -0.3046882E-03 Delta_ex -0.1520521E-02 Delta_ec 0.4815548E-03 Delta_et -0.3277887E-02 Pxc 0.4266658E+01 Qxc -0.3157525E+01 3,+1 81 3 -1 -1.765307 0.527277 1.698549 Rho 0.4977839E-01 |GRAD(Rho)| 0.1356758E-13 GRAD(Rho)x -0.1107416E-13 GRAD(Rho)y -0.2098927E-14 GRAD(Rho)z 0.7552272E-14 Laplacian 0.2033305E+00 (-1/4)Del**2(Rho)) -0.5083262E-01 Diamond 0.1017431E+00 Metallicity 0.2282857E+01 Ellipticity 0.1405884E-01 Gb(Abramov) 0.5322901E-01 Vb(Abramov) -0.5562541E-01 Hb(Abramov) -0.2396397E-02 Ex_ueg -0.1352403E-01 Ec_ueg -0.2402628E-02 Delta_ex -0.1668714E-01 Delta_ec 0.6003677E-02 Delta_et -0.6321874E-01 Pxc 0.5628850E+01 Qxc -0.2779487E+01 3,-1 82 3 -1 -0.049372 -0.044532 -2.896950 Rho 0.5475729E-02 |GRAD(Rho)| 0.5950800E-17 GRAD(Rho)x 0.5642442E-17 GRAD(Rho)y -0.1827719E-17 GRAD(Rho)z 0.4840529E-18 Laplacian 0.2198579E-01 (-1/4)Del**2(Rho)) -0.5496448E-02 Diamond 0.6524411E-03 Metallicity 0.5331805E+00 Ellipticity 0.4267567E+01 Gb(Abramov) 0.4152732E-02 Vb(Abramov) -0.2809016E-02 Hb(Abramov) 0.1343716E-02 Ex_ueg -0.7128108E-03 Ec_ueg -0.1674425E-03 Delta_ex -0.1172697E-02 Delta_ec 0.7996458E-03 Delta_et -0.4419887E-02 Pxc 0.4257050E+01 Qxc -0.1466521E+01 3,-1 83 3 -1 -2.964577 2.039391 0.840253 Rho 0.1175069E+00 |GRAD(Rho)| 0.1910748E-15 GRAD(Rho)x -0.1759016E-15 GRAD(Rho)y -0.7450502E-16 GRAD(Rho)z 0.4147073E-17 Laplacian 0.4575043E+00 (-1/4)Del**2(Rho)) -0.1143761E+00 Diamond 0.6874945E+00 Metallicity 0.4246098E+01 Ellipticity 0.3071386E-01 Gb(Abramov) 0.1571927E+00 Vb(Abramov) -0.2000094E+00 Hb(Abramov) -0.4281666E-01 Ex_ueg -0.4250788E-01 Ec_ueg -0.6397251E-02 Delta_ex -0.4626129E-01 Delta_ec 0.1221258E-01 Delta_et -0.1562387E+00 Pxc 0.6644710E+01 Qxc -0.3788004E+01 3,-1 84 3 -1 -2.965447 -2.038346 -0.838012 Rho 0.1229875E+00 |GRAD(Rho)| 0.1026525E-15 GRAD(Rho)x -0.6396793E-17 GRAD(Rho)y -0.7821841E-16 GRAD(Rho)z 0.6617021E-16 Laplacian 0.4788131E+00 (-1/4)Del**2(Rho)) -0.1197033E+00 Diamond 0.7592795E+00 Metallicity 0.4377389E+01 Ellipticity 0.3504510E-01 Gb(Abramov) 0.1671335E+00 Vb(Abramov) -0.2145637E+00 Hb(Abramov) -0.4743021E-01 Ex_ueg -0.4517167E-01 Ec_ueg -0.6737476E-02 Delta_ex -0.4893619E-01 Delta_ec 0.1262754E-01 Delta_et -0.1627911E+00 Pxc 0.6704539E+01 Qxc -0.3875355E+01 3,-1 85 3 -1 -2.751849 -1.857185 0.546766 Rho 0.1147860E+00 |GRAD(Rho)| 0.3423104E-13 GRAD(Rho)x 0.4177719E-14 GRAD(Rho)y -0.2671220E-13 GRAD(Rho)z -0.2099450E-13 Laplacian 0.4797741E+00 (-1/4)Del**2(Rho)) -0.1199435E+00 Diamond 0.6993074E+00 Metallicity 0.3893960E+01 Ellipticity 0.7099130E-02 Gb(Abramov) 0.1578049E+00 Vb(Abramov) -0.1956663E+00 Hb(Abramov) -0.3786137E-01 Ex_ueg -0.4120063E-01 Ec_ueg -0.6229131E-02 Delta_ex -0.4822053E-01 Delta_ec 0.1283576E-01 Delta_et -0.1634666E+00 Pxc 0.6614185E+01 Qxc -0.3756735E+01 3,-1 86 3 -1 -2.029656 -0.846842 -2.962051 Rho 0.1323163E+00 |GRAD(Rho)| 0.2380625E-09 GRAD(Rho)x 0.1309257E-09 GRAD(Rho)y -0.1675265E-09 GRAD(Rho)z -0.1070845E-09 Laplacian 0.5203956E+00 (-1/4)Del**2(Rho)) -0.1300989E+00 Diamond 0.9114859E+00 Metallicity 0.4549550E+01 Ellipticity 0.2529648E-01 Gb(Abramov) 0.1853812E+00 Vb(Abramov) -0.2406635E+00 Hb(Abramov) -0.5528228E-01 Ex_ueg -0.4979696E-01 Ec_ueg -0.7321305E-02 Delta_ex -0.5425475E-01 Delta_ec 0.1370713E-01 Delta_et -0.1792561E+00 Pxc 0.6801652E+01 Qxc -0.3958141E+01 3,-1 87 3 -1 -1.746954 -0.534195 -1.703686 Rho 0.4799091E-01 |GRAD(Rho)| 0.1711390E-16 GRAD(Rho)x -0.2650790E-17 GRAD(Rho)y 0.8281865E-17 GRAD(Rho)z -0.1474007E-16 Laplacian 0.1951153E+00 (-1/4)Del**2(Rho)) -0.4877882E-01 Diamond 0.9255102E-01 Metallicity 0.2238309E+01 Ellipticity 0.1213259E-01 Gb(Abramov) 0.5071623E-01 Vb(Abramov) -0.5265364E-01 Hb(Abramov) -0.1937409E-02 Ex_ueg -0.1288043E-01 Ec_ueg -0.2304123E-02 Delta_ex -0.1585040E-01 Delta_ec 0.5734595E-02 Delta_et -0.5980379E-01 Pxc 0.5590165E+01 Qxc -0.2763996E+01 3,-1 88 3 +1 -0.168643 0.169625 2.894599 Rho 0.5279664E-02 |GRAD(Rho)| 0.3409784E-17 GRAD(Rho)x 0.7163111E-18 GRAD(Rho)y -0.2503033E-17 GRAD(Rho)z -0.2201897E-17 Laplacian 0.2186666E-01 (-1/4)Del**2(Rho)) -0.5466665E-02 Diamond 0.5297952E-03 Metallicity 0.5044767E+00 Ellipticity -0.2682402E+01 Gb(Abramov) 0.4104078E-02 Vb(Abramov) -0.2741490E-02 Hb(Abramov) 0.1362588E-02 Ex_ueg -0.6789848E-03 Ec_ueg -0.1589676E-03 Delta_ex -0.1082433E-02 Delta_ec 0.6595009E-03 Delta_et -0.3652306E-02 Pxc 0.4271214E+01 Qxc -0.1641291E+01 3,+1 89 3 +1 2.167968 -1.414528 1.050001 Rho 0.2778789E-01 |GRAD(Rho)| 0.5613225E-16 GRAD(Rho)x -0.3737708E-16 GRAD(Rho)y 0.2598689E-17 GRAD(Rho)z -0.4179749E-16 Laplacian 0.1114094E+00 (-1/4)Del**2(Rho)) -0.2785236E-01 Diamond 0.1608603E-01 Metallicity 0.1576827E+01 Ellipticity -0.3080459E+01 Gb(Abramov) 0.2588796E-01 Vb(Abramov) -0.2392357E-01 Hb(Abramov) 0.1964397E-02 Ex_ueg -0.6216213E-02 Ec_ueg -0.1230079E-02 Delta_ex -0.7055670E-02 Delta_ec 0.1761034E-02 Delta_et -0.1596837E-01 Pxc 0.5053506E+01 Qxc -0.4006548E+01 3,+1 90 3 -1 -1.847180 -0.545736 2.751596 Rho 0.1269977E+00 |GRAD(Rho)| 0.4176084E-15 GRAD(Rho)x -0.2615502E-15 GRAD(Rho)y 0.3230651E-15 GRAD(Rho)z -0.4021374E-16 Laplacian 0.5312269E+00 (-1/4)Del**2(Rho)) -0.1328067E+00 Diamond 0.8863825E+00 Metallicity 0.4162230E+01 Ellipticity 0.1362076E-01 Gb(Abramov) 0.1806665E+00 Vb(Abramov) -0.2285263E+00 Hb(Abramov) -0.4785979E-01 Ex_ueg -0.4714614E-01 Ec_ueg -0.6987733E-02 Delta_ex -0.5484840E-01 Delta_ec 0.1414484E-01 Delta_et -0.1837657E+00 Pxc 0.6746986E+01 Qxc -0.3877626E+01 3,-1 91 3 +1 -0.522432 -0.542528 1.676509 Rho 0.8763442E-02 |GRAD(Rho)| 0.1012510E-12 GRAD(Rho)x -0.2813171E-13 GRAD(Rho)y 0.8760972E-13 GRAD(Rho)z -0.4224807E-13 Laplacian 0.3408580E-01 (-1/4)Del**2(Rho)) -0.8521451E-02 Diamond 0.9380925E-03 Metallicity 0.7530622E+00 Ellipticity -0.1459742E+01 Gb(Abramov) 0.6750498E-02 Vb(Abramov) -0.4979544E-02 Hb(Abramov) 0.1770953E-02 Ex_ueg -0.1334396E-02 Ec_ueg -0.3122989E-03 Delta_ex -0.1565585E-02 Delta_ec 0.4813700E-03 Delta_et -0.3304703E-02 Pxc 0.4272817E+01 Qxc -0.3252354E+01 3,+1 92 3 -1 -1.840816 0.549501 -2.745241 Rho 0.1320280E+00 |GRAD(Rho)| 0.1367775E-15 GRAD(Rho)x -0.1117135E-15 GRAD(Rho)y -0.7818453E-16 GRAD(Rho)z -0.1074038E-16 Laplacian 0.5555568E+00 (-1/4)Del**2(Rho)) -0.1388892E+00 Diamond 0.9698087E+00 Metallicity 0.4246143E+01 Ellipticity 0.1105624E-01 Gb(Abramov) 0.1908834E+00 Vb(Abramov) -0.2428775E+00 Hb(Abramov) -0.5199417E-01 Ex_ueg -0.4965233E-01 Ec_ueg -0.7303173E-02 Delta_ex -0.5788160E-01 Delta_ec 0.1462581E-01 Delta_et -0.1911744E+00 Pxc 0.6798734E+01 Qxc -0.3957497E+01 3,-1 93 3 +1 -0.156056 -2.899319 -0.157168 Rho 0.5269476E-02 |GRAD(Rho)| 0.7885475E-16 GRAD(Rho)x -0.4086161E-16 GRAD(Rho)y -0.5829499E-16 GRAD(Rho)z 0.3391305E-16 Laplacian 0.2170994E-01 (-1/4)Del**2(Rho)) -0.5427484E-02 Diamond 0.5391295E-03 Metallicity 0.5064854E+00 Ellipticity -0.3150026E+01 Gb(Abramov) 0.4076480E-02 Vb(Abramov) -0.2725475E-02 Hb(Abramov) 0.1351005E-02 Ex_ueg -0.6772384E-03 Ec_ueg -0.1585278E-03 Delta_ex -0.1086816E-02 Delta_ec 0.6771826E-03 Delta_et -0.3738664E-02 Pxc 0.4272048E+01 Qxc -0.1604909E+01 3,+1 94 3 +1 -1.312009 -2.174668 -1.139117 Rho 0.2799898E-01 |GRAD(Rho)| 0.8100989E-16 GRAD(Rho)x -0.5938746E-16 GRAD(Rho)y 0.1640429E-17 GRAD(Rho)z 0.5507304E-16 Laplacian 0.1141235E+00 (-1/4)Del**2(Rho)) -0.2853089E-01 Diamond 0.1859100E-01 Metallicity 0.1558864E+01 Ellipticity -0.5982815E+01 Gb(Abramov) 0.2643322E-01 Vb(Abramov) -0.2433555E-01 Hb(Abramov) 0.2097667E-02 Ex_ueg -0.6279253E-02 Ec_ueg -0.1240862E-02 Delta_ex -0.7423600E-02 Delta_ec 0.2127390E-02 Delta_et -0.1927346E-01 Pxc 0.5060397E+01 Qxc -0.3489533E+01 3,+1 95 3 +3 -0.026121 2.329145 0.037922 Rho 0.4625348E-02 |GRAD(Rho)| 0.4304980E-14 GRAD(Rho)x -0.2110024E-14 GRAD(Rho)y -0.3164831E-14 GRAD(Rho)z 0.2016060E-14 Laplacian 0.1888121E-01 (-1/4)Del**2(Rho)) -0.4720303E-02 Diamond 0.1722377E-03 Metallicity 0.4686234E+00 Ellipticity -0.3515329E+00 Gb(Abramov) 0.3515543E-02 Vb(Abramov) -0.2310782E-02 Hb(Abramov) 0.1204760E-02 Ex_ueg -0.5691730E-03 Ec_ueg -0.1308258E-03 Delta_ex -0.6937534E-03 Delta_ec 0.1819756E-03 Delta_et -0.1133527E-02 Pxc 0.4350618E+01 Qxc -0.3812343E+01 3,+3 96 3 -1 -2.033933 0.843726 2.965765 Rho 0.1269209E+00 |GRAD(Rho)| 0.7269350E-12 GRAD(Rho)x -0.4490228E-12 GRAD(Rho)y -0.4945294E-12 GRAD(Rho)z -0.2867991E-12 Laplacian 0.4980642E+00 (-1/4)Del**2(Rho)) -0.1245160E+00 Diamond 0.8317537E+00 Metallicity 0.4434894E+01 Ellipticity 0.2130283E-01 Gb(Abramov) 0.1750466E+00 Vb(Abramov) -0.2255772E+00 Hb(Abramov) -0.5053056E-01 Ex_ueg -0.4710815E-01 Ec_ueg -0.6982933E-02 Delta_ex -0.5143323E-01 Delta_ec 0.1329280E-01 Delta_et -0.1727306E+00 Pxc 0.6746184E+01 Qxc -0.3869253E+01 3,-1 97 3 -1 -1.712819 1.756848 0.534011 Rho 0.4326654E-01 |GRAD(Rho)| 0.1617706E-15 GRAD(Rho)x -0.1179504E-15 GRAD(Rho)y 0.8035526E-16 GRAD(Rho)z -0.7616086E-16 Laplacian 0.1819428E+00 (-1/4)Del**2(Rho)) -0.4548570E-01 Diamond 0.7742218E-01 Metallicity 0.2019599E+01 Ellipticity 0.9646004E-02 Gb(Abramov) 0.4563428E-01 Vb(Abramov) -0.4578286E-01 Hb(Abramov) -0.1485814E-03 Ex_ueg -0.1121815E-01 Ec_ueg -0.2046201E-02 Delta_ex -0.1452984E-01 Delta_ec 0.5581321E-02 Delta_et -0.5667516E-01 Pxc 0.5482429E+01 Qxc -0.2603297E+01 3,-1 98 3 -1 -1.778606 -2.807303 0.566059 Rho 0.1403382E+00 |GRAD(Rho)| 0.9954358E-16 GRAD(Rho)x -0.1882446E-16 GRAD(Rho)y 0.1960034E-16 GRAD(Rho)z -0.9576216E-16 Laplacian 0.5862033E+00 (-1/4)Del**2(Rho)) -0.1465508E+00 Diamond 0.1078399E+01 Metallicity 0.4455104E+01 Ellipticity 0.2132473E-01 Gb(Abramov) 0.2065171E+00 Vb(Abramov) -0.2664833E+00 Hb(Abramov) -0.5996625E-01 Ex_ueg -0.5386244E-01 Ec_ueg -0.7827915E-02 Delta_ex -0.6173675E-01 Delta_ec 0.1476455E-01 Delta_et -0.1939190E+00 Pxc 0.6880817E+01 Qxc -0.4181419E+01 3,-1 99 3 -1 -1.957658 -3.026014 -0.868912 Rho 0.1443955E+00 |GRAD(Rho)| 0.2295718E-15 GRAD(Rho)x -0.1056826E-15 GRAD(Rho)y -0.9906897E-17 GRAD(Rho)z 0.2035590E-15 Laplacian 0.5650191E+00 (-1/4)Del**2(Rho)) -0.1412548E+00 Diamond 0.1083806E+01 Metallicity 0.4846997E+01 Ellipticity 0.6251257E-01 Gb(Abramov) 0.2082801E+00 Vb(Abramov) -0.2753054E+00 Hb(Abramov) -0.6702532E-01 Ex_ueg -0.5594869E-01 Ec_ueg -0.8085715E-02 Delta_ex -0.6000887E-01 Delta_ec 0.1428396E-01 Delta_et -0.1887109E+00 Pxc 0.6919448E+01 Qxc -0.4201138E+01 3,-1 100 3 +1 0.545887 -1.665063 -0.526520 Rho 0.8667293E-02 |GRAD(Rho)| 0.8110782E-17 GRAD(Rho)x 0.4137213E-17 GRAD(Rho)y -0.6806882E-17 GRAD(Rho)z -0.1527938E-17 Laplacian 0.3384335E-01 (-1/4)Del**2(Rho)) -0.8460838E-02 Diamond 0.9236264E-03 Metallicity 0.7446387E+00 Ellipticity -0.1458084E+01 Gb(Abramov) 0.6690603E-02 Vb(Abramov) -0.4920369E-02 Hb(Abramov) 0.1770235E-02 Ex_ueg -0.1314911E-02 Ec_ueg -0.3079920E-03 Delta_ex -0.1552835E-02 Delta_ec 0.4828090E-03 Delta_et -0.3301266E-02 Pxc 0.4269302E+01 Qxc -0.3216252E+01 3,+1 101 3 -1 -1.773007 2.803404 -0.573022 Rho 0.1431110E+00 |GRAD(Rho)| 0.5155124E-15 GRAD(Rho)x -0.5020940E-15 GRAD(Rho)y -0.1167652E-15 GRAD(Rho)z -0.4526544E-17 Laplacian 0.6029356E+00 (-1/4)Del**2(Rho)) -0.1507339E+00 Diamond 0.1133863E+01 Metallicity 0.4475045E+01 Ellipticity 0.2169177E-01 Gb(Abramov) 0.2129128E+00 Vb(Abramov) -0.2750916E+00 Hb(Abramov) -0.6217887E-01 Ex_ueg -0.5528609E-01 Ec_ueg -0.8003990E-02 Delta_ex -0.6378628E-01 Delta_ec 0.1508063E-01 Delta_et -0.1985548E+00 Pxc 0.6907317E+01 Qxc -0.4229682E+01 3,-1 102 3 -1 -0.546197 1.699543 1.773234 Rho 0.4268943E-01 |GRAD(Rho)| 0.5098895E-14 GRAD(Rho)x 0.3679595E-14 GRAD(Rho)y 0.3529461E-14 GRAD(Rho)z 0.4705903E-16 Laplacian 0.1795339E+00 (-1/4)Del**2(Rho)) -0.4488348E-01 Diamond 0.7487540E-01 Metallicity 0.2001400E+01 Ellipticity 0.1134333E-01 Gb(Abramov) 0.4489395E-01 Vb(Abramov) -0.4490442E-01 Hb(Abramov) -0.1047334E-04 Ex_ueg -0.1101908E-01 Ec_ueg -0.2014947E-02 Delta_ex -0.1428243E-01 Delta_ec 0.5494602E-02 Delta_et -0.5559140E-01 Pxc 0.5468672E+01 Qxc -0.2599357E+01 3,-1 103 3 -1 -1.957955 3.020076 0.862248 Rho 0.1402318E+00 |GRAD(Rho)| 0.1373247E-15 GRAD(Rho)x 0.7433561E-16 GRAD(Rho)y -0.9580959E-16 GRAD(Rho)z 0.6444227E-16 Laplacian 0.5460205E+00 (-1/4)Del**2(Rho)) -0.1365051E+00 Diamond 0.1013325E+01 Metallicity 0.4776925E+01 Ellipticity 0.5911755E-01 Gb(Abramov) 0.1996825E+00 Vb(Abramov) -0.2628600E+00 Hb(Abramov) -0.6317742E-01 Ex_ueg -0.5380803E-01 Ec_ueg -0.7821171E-02 Delta_ex -0.5760056E-01 Delta_ec 0.1394498E-01 Delta_et -0.1835409E+00 Pxc 0.6879792E+01 Qxc -0.4130560E+01 3,-1 104 3 +3 -1.107288 -1.121536 1.107827 Rho 0.5116705E-02 |GRAD(Rho)| 0.7121113E-14 GRAD(Rho)x -0.6051084E-14 GRAD(Rho)y -0.2669670E-14 GRAD(Rho)z 0.2639600E-14 Laplacian 0.1986558E-01 (-1/4)Del**2(Rho)) -0.4966395E-02 Diamond 0.1435959E-03 Metallicity 0.5270225E+00 Ellipticity -0.1096660E+00 Gb(Abramov) 0.3747164E-02 Vb(Abramov) -0.2527932E-02 Hb(Abramov) 0.1219231E-02 Ex_ueg -0.6511867E-03 Ec_ueg -0.1519385E-03 Delta_ex -0.6911270E-03 Delta_ec 0.8817219E-04 Delta_et -0.6988737E-03 Pxc 0.4285856E+01 Qxc -0.7838379E+01 3,+3 105 3 +1 -0.143860 -0.136211 -2.890078 Rho 0.5469004E-02 |GRAD(Rho)| 0.1956247E-17 GRAD(Rho)x -0.6019618E-18 GRAD(Rho)y 0.5767124E-18 GRAD(Rho)z 0.1769730E-17 Laplacian 0.2233491E-01 (-1/4)Del**2(Rho)) -0.5583727E-02 Diamond 0.5927438E-03 Metallicity 0.5237725E+00 Ellipticity -0.4450779E+01 Gb(Abramov) 0.4209918E-02 Vb(Abramov) -0.2836110E-02 Hb(Abramov) 0.1373809E-02 Ex_ueg -0.7116438E-03 Ec_ueg -0.1671514E-03 Delta_ex -0.1134225E-02 Delta_ec 0.7108931E-03 Delta_et -0.3962979E-02 Pxc 0.4257479E+01 Qxc -0.1595493E+01 3,+1 106 3 +1 -1.144440 1.310354 2.181982 Rho 0.2814579E-01 |GRAD(Rho)| 0.3164914E-14 GRAD(Rho)x -0.3706688E-15 GRAD(Rho)y 0.2848503E-14 GRAD(Rho)z -0.1328650E-14 Laplacian 0.1149141E+00 (-1/4)Del**2(Rho)) -0.2872853E-01 Diamond 0.1878581E-01 Metallicity 0.1561693E+01 Ellipticity -0.5779824E+01 Gb(Abramov) 0.2662988E-01 Vb(Abramov) -0.2453122E-01 Hb(Abramov) 0.2098653E-02 Ex_ueg -0.6323193E-02 Ec_ueg -0.1248368E-02 Delta_ex -0.7478993E-02 Delta_ec 0.2130689E-02 Delta_et -0.1932989E-01 Pxc 0.5065168E+01 Qxc -0.3510129E+01 3,+1 107 3 -1 -0.836395 -2.962730 -2.028744 Rho 0.1266463E+00 |GRAD(Rho)| 0.5649311E-16 GRAD(Rho)x -0.3969535E-16 GRAD(Rho)y -0.3035766E-17 GRAD(Rho)z -0.4008160E-16 Laplacian 0.4970399E+00 (-1/4)Del**2(Rho)) -0.1242600E+00 Diamond 0.8268900E+00 Metallicity 0.4428020E+01 Ellipticity 0.2154348E-01 Gb(Abramov) 0.1745443E+00 Vb(Abramov) -0.2248286E+00 Hb(Abramov) -0.5028429E-01 Ex_ueg -0.4697231E-01 Ec_ueg -0.6965764E-02 Delta_ex -0.5128839E-01 Delta_ec 0.1325007E-01 Delta_et -0.1720733E+00 Pxc 0.6743310E+01 Qxc -0.3870802E+01 3,-1 108 3 +3 0.010730 -2.321168 0.010635 Rho 0.4578916E-02 |GRAD(Rho)| 0.4407713E-15 GRAD(Rho)x 0.4378266E-15 GRAD(Rho)y -0.5032689E-16 GRAD(Rho)z 0.7378083E-17 Laplacian 0.1869866E-01 (-1/4)Del**2(Rho)) -0.4674664E-02 Diamond 0.1675989E-03 Metallicity 0.4653080E+00 Ellipticity -0.3255208E+00 Gb(Abramov) 0.3478969E-02 Vb(Abramov) -0.2283274E-02 Hb(Abramov) 0.1195695E-02 Ex_ueg -0.5615674E-03 Ec_ueg -0.1288371E-03 Delta_ex -0.6846042E-03 Delta_ec 0.1789966E-03 Delta_et -0.1113866E-02 Pxc 0.4358741E+01 Qxc -0.3824677E+01 3,+3 109 3 +1 -0.529302 -1.664147 0.535191 Rho 0.8573794E-02 |GRAD(Rho)| 0.5668163E-17 GRAD(Rho)x -0.4693065E-17 GRAD(Rho)y 0.1524931E-17 GRAD(Rho)z -0.2788869E-17 Laplacian 0.3313108E-01 (-1/4)Del**2(Rho)) -0.8282770E-02 Diamond 0.9018872E-03 Metallicity 0.7470208E+00 Ellipticity -0.1480146E+01 Gb(Abramov) 0.6553080E-02 Vb(Abramov) -0.4823390E-02 Hb(Abramov) 0.1729690E-02 Ex_ueg -0.1296032E-02 Ec_ueg -0.3038078E-03 Delta_ex -0.1520956E-02 Delta_ec 0.4815046E-03 Delta_et -0.3276042E-02 Pxc 0.4265962E+01 Qxc -0.3158756E+01 3,+1 110 3 -1 -0.553514 -2.746290 1.852908 Rho 0.1224645E+00 |GRAD(Rho)| 0.1103567E-12 GRAD(Rho)x 0.1251709E-13 GRAD(Rho)y -0.8098013E-13 GRAD(Rho)z -0.7391984E-13 Laplacian 0.5085400E+00 (-1/4)Del**2(Rho)) -0.1271350E+00 Diamond 0.7997641E+00 Metallicity 0.4092339E+01 Ellipticity 0.3837337E-02 Gb(Abramov) 0.1714699E+00 Vb(Abramov) -0.2158049E+00 Hb(Abramov) -0.4433493E-01 Ex_ueg -0.4491575E-01 Ec_ueg -0.6704921E-02 Delta_ex -0.5188822E-01 Delta_ec 0.1336593E-01 Delta_et -0.1720849E+00 Pxc 0.6698922E+01 Qxc -0.3882125E+01 3,-1 111 3 +1 0.180411 -2.901751 0.182525 Rho 0.5229908E-02 |GRAD(Rho)| 0.8218658E-17 GRAD(Rho)x -0.7016502E-17 GRAD(Rho)y -0.1161117E-17 GRAD(Rho)z 0.4119083E-17 Laplacian 0.2166531E-01 (-1/4)Del**2(Rho)) -0.5416328E-02 Diamond 0.5089090E-03 Metallicity 0.5011929E+00 Ellipticity -0.2397404E+01 Gb(Abramov) 0.4063323E-02 Vb(Abramov) -0.2710318E-02 Hb(Abramov) 0.1353005E-02 Ex_ueg -0.6704666E-03 Ec_ueg -0.1568201E-03 Delta_ex -0.1062275E-02 Delta_ec 0.6388062E-03 Delta_et -0.3533849E-02 Pxc 0.4275388E+01 Qxc -0.1662906E+01 3,+1 112 3 +1 -0.553569 1.665822 -0.514491 Rho 0.8882760E-02 |GRAD(Rho)| 0.3785861E-15 GRAD(Rho)x -0.3263616E-15 GRAD(Rho)y 0.1712777E-15 GRAD(Rho)z 0.8648399E-16 Laplacian 0.3450994E-01 (-1/4)Del**2(Rho)) -0.8627485E-02 Diamond 0.9703876E-03 Metallicity 0.7607621E+00 Ellipticity -0.1470438E+01 Gb(Abramov) 0.6845567E-02 Vb(Abramov) -0.5063649E-02 Hb(Abramov) 0.1781918E-02 Ex_ueg -0.1358675E-02 Ec_ueg -0.3176493E-03 Delta_ex -0.1591784E-02 Delta_ec 0.4896322E-03 Delta_et -0.3371305E-02 Pxc 0.4277281E+01 Qxc -0.3250978E+01 3,+1 113 3 +1 -1.110868 2.162790 1.366166 Rho 0.2708659E-01 |GRAD(Rho)| 0.6385784E-16 GRAD(Rho)x -0.1392027E-16 GRAD(Rho)y 0.5847994E-16 GRAD(Rho)z 0.2154406E-16 Laplacian 0.1095186E+00 (-1/4)Del**2(Rho)) -0.2737966E-01 Diamond 0.1709624E-01 Metallicity 0.1537149E+01 Ellipticity -0.5821386E+01 Gb(Abramov) 0.2526754E-01 Vb(Abramov) -0.2315542E-01 Hb(Abramov) 0.2112118E-02 Ex_ueg -0.6007922E-02 Ec_ueg -0.1194334E-02 Delta_ex -0.7066680E-02 Delta_ec 0.2050231E-02 Delta_et -0.1842061E-01 Pxc 0.5030353E+01 Qxc -0.3446772E+01 3,+1 114 3 -1 -0.872507 1.958391 3.029387 Rho 0.1445994E+00 |GRAD(Rho)| 0.3497232E-15 GRAD(Rho)x 0.3184031E-15 GRAD(Rho)y 0.1289930E-15 GRAD(Rho)z 0.6547226E-16 Laplacian 0.5663443E+00 (-1/4)Del**2(Rho)) -0.1415861E+00 Diamond 0.1088607E+01 Metallicity 0.4847044E+01 Ellipticity 0.6315594E-01 Gb(Abramov) 0.2087697E+00 Vb(Abramov) -0.2759533E+00 Hb(Abramov) -0.6718363E-01 Ex_ueg -0.5605407E-01 Ec_ueg -0.8098701E-02 Delta_ex -0.6017480E-01 Delta_ec 0.1432023E-01 Delta_et -0.1892454E+00 Pxc 0.6921366E+01 Qxc -0.4202082E+01 3,-1 115 3 +1 -0.183557 2.906861 0.194017 Rho 0.5255845E-02 |GRAD(Rho)| 0.3837737E-17 GRAD(Rho)x 0.3765032E-17 GRAD(Rho)y -0.7192079E-18 GRAD(Rho)z 0.1884209E-18 Laplacian 0.2182194E-01 (-1/4)Del**2(Rho)) -0.5455486E-02 Diamond 0.5080169E-03 Metallicity 0.5017153E+00 Ellipticity -0.2252193E+01 Gb(Abramov) 0.4093174E-02 Vb(Abramov) -0.2730862E-02 Hb(Abramov) 0.1362312E-02 Ex_ueg -0.6749037E-03 Ec_ueg -0.1579394E-03 Delta_ex -0.1064062E-02 Delta_ec 0.6310243E-03 Delta_et -0.3501272E-02 Pxc 0.4273181E+01 Qxc -0.1686245E+01 3,+1 116 3 +1 0.162219 2.896611 -0.157800 Rho 0.5316000E-02 |GRAD(Rho)| 0.1147163E-16 GRAD(Rho)x -0.9473001E-17 GRAD(Rho)y 0.1507974E-17 GRAD(Rho)z -0.6291788E-17 Laplacian 0.2189506E-01 (-1/4)Del**2(Rho)) -0.5473765E-02 Diamond 0.5473234E-03 Metallicity 0.5096148E+00 Ellipticity -0.3200279E+01 Gb(Abramov) 0.4114095E-02 Vb(Abramov) -0.2754425E-02 Hb(Abramov) 0.1359670E-02 Ex_ueg -0.6852227E-03 Ec_ueg -0.1605368E-03 Delta_ex -0.1095511E-02 Delta_ec 0.6785733E-03 Delta_et -0.3757999E-02 Pxc 0.4268321E+01 Qxc -0.1614433E+01 3,+1 117 3 -1 -0.523298 -1.694716 -1.760442 Rho 0.4873562E-01 |GRAD(Rho)| 0.5823071E-16 GRAD(Rho)x 0.3226666E-16 GRAD(Rho)y -0.4797341E-16 GRAD(Rho)z -0.6944823E-17 Laplacian 0.1986453E+00 (-1/4)Del**2(Rho)) -0.4966133E-01 Diamond 0.9640886E-01 Metallicity 0.2255687E+01 Ellipticity 0.1381511E-01 Gb(Abramov) 0.5177763E-01 Vb(Abramov) -0.5389392E-01 Hb(Abramov) -0.2116295E-02 Ex_ueg -0.1314762E-01 Ec_ueg -0.2345103E-02 Delta_ex -0.1620834E-01 Delta_ec 0.5852775E-02 Delta_et -0.6128649E-01 Pxc 0.5606412E+01 Qxc -0.2769343E+01 3,-1 118 3 -1 -0.579201 -1.771417 2.811582 Rho 0.1438818E+00 |GRAD(Rho)| 0.3655212E-12 GRAD(Rho)x 0.2501164E-12 GRAD(Rho)y -0.2659370E-12 GRAD(Rho)z -0.1802837E-13 Laplacian 0.6061623E+00 (-1/4)Del**2(Rho)) -0.1515406E+00 Diamond 0.1148020E+01 Metallicity 0.4491250E+01 Ellipticity 0.2250312E-01 Gb(Abramov) 0.2144615E+00 Vb(Abramov) -0.2773824E+00 Hb(Abramov) -0.6292090E-01 Ex_ueg -0.5568345E-01 Ec_ueg -0.8053017E-02 Delta_ex -0.6421979E-01 Delta_ec 0.1515449E-01 Delta_et -0.1997074E+00 Pxc 0.6914607E+01 Qxc -0.4237675E+01 3,-1 119 3 -1 -0.870929 -1.950383 -3.017846 Rho 0.1493791E+00 |GRAD(Rho)| 0.2360951E-13 GRAD(Rho)x 0.1792102E-13 GRAD(Rho)y -0.1339330E-13 GRAD(Rho)z 0.7540924E-14 Laplacian 0.5880259E+00 (-1/4)Del**2(Rho)) -0.1470065E+00 Diamond 0.1188891E+01 Metallicity 0.4928330E+01 Ellipticity 0.4587757E-01 Gb(Abramov) 0.2187537E+00 Vb(Abramov) -0.2905010E+00 Hb(Abramov) -0.7174724E-01 Ex_ueg -0.5853804E-01 Ec_ueg -0.8403779E-02 Delta_ex -0.6311594E-01 Delta_ec 0.1499179E-01 Delta_et -0.1995853E+00 Pxc 0.6965680E+01 Qxc -0.4210033E+01 3,-1 120 3 +1 1.671843 -0.524382 -0.543148 Rho 0.8548803E-02 |GRAD(Rho)| 0.1460625E-16 GRAD(Rho)x 0.1056847E-16 GRAD(Rho)y -0.8820396E-17 GRAD(Rho)z -0.4883704E-17 Laplacian 0.3300978E-01 (-1/4)Del**2(Rho)) -0.8252445E-02 Diamond 0.8967979E-03 Metallicity 0.7461269E+00 Ellipticity -0.1482183E+01 Gb(Abramov) 0.6527858E-02 Vb(Abramov) -0.4803272E-02 Hb(Abramov) 0.1724586E-02 Ex_ueg -0.1290998E-02 Ec_ueg -0.3026900E-03 Delta_ex -0.1515082E-02 Delta_ec 0.4811840E-03 Delta_et -0.3270247E-02 Pxc 0.4265082E+01 Qxc -0.3148654E+01 3,+1 121 3 +3 0.020088 0.017395 -2.327492 Rho 0.4771404E-02 |GRAD(Rho)| 0.4649203E-17 GRAD(Rho)x -0.3854760E-17 GRAD(Rho)y -0.9838717E-19 GRAD(Rho)z 0.2597353E-17 Laplacian 0.1949592E-01 (-1/4)Del**2(Rho)) -0.4873980E-02 Diamond 0.1822645E-03 Metallicity 0.4779837E+00 Ellipticity -0.3070123E+00 Gb(Abramov) 0.3637600E-02 Vb(Abramov) -0.2401221E-02 Hb(Abramov) 0.1236379E-02 Ex_ueg -0.5932621E-03 Ec_ueg -0.1370887E-03 Delta_ex -0.7188218E-03 Delta_ec 0.1821726E-03 Delta_et -0.1150942E-02 Pxc 0.4327579E+01 Qxc -0.3945827E+01 3,+3 122 3 -1 1.710010 -1.766679 0.537605 Rho 0.4294081E-01 |GRAD(Rho)| 0.5214712E-16 GRAD(Rho)x -0.3217709E-16 GRAD(Rho)y -0.3134827E-16 GRAD(Rho)z -0.2648100E-16 Laplacian 0.1811503E+00 (-1/4)Del**2(Rho)) -0.4528757E-01 Diamond 0.7635559E-01 Metallicity 0.2003048E+01 Ellipticity 0.9813936E-02 Gb(Abramov) 0.4531057E-01 Vb(Abramov) -0.4533357E-01 Hb(Abramov) -0.2300273E-04 Ex_ueg -0.1110569E-01 Ec_ueg -0.2028554E-02 Delta_ex -0.1444258E-01 Delta_ec 0.5562781E-02 Delta_et -0.5637316E-01 Pxc 0.5474681E+01 Qxc -0.2596288E+01 3,-1 123 3 -1 -0.464130 -0.467030 -0.475614 Rho 0.1856199E+00 |GRAD(Rho)| 0.1665696E-15 GRAD(Rho)x -0.1249001E-15 GRAD(Rho)y -0.9714451E-16 GRAD(Rho)z -0.5204170E-16 Laplacian 0.5112227E+00 (-1/4)Del**2(Rho)) -0.1278057E+00 Diamond 0.1364425E+01 Metallicity 0.8141616E+01 Ellipticity 0.2521574E-02 Gb(Abramov) 0.2586279E+00 Vb(Abramov) -0.3894502E+00 Hb(Abramov) -0.1308222E+00 Ex_ueg -0.7820199E-01 Ec_ueg -0.1076151E-01 Delta_ex -0.5809231E-01 Delta_ec 0.1263247E-01 Delta_et -0.1736006E+00 Pxc 0.7266826E+01 Qxc -0.4598649E+01 3,-1 124 3 +1 2.166649 1.380126 -1.101587 Rho 0.2689819E-01 |GRAD(Rho)| 0.6644759E-16 GRAD(Rho)x 0.6357907E-16 GRAD(Rho)y -0.2026810E-17 GRAD(Rho)z -0.1920614E-16 Laplacian 0.1084716E+00 (-1/4)Del**2(Rho)) -0.2711790E-01 Diamond 0.1660111E-01 Metallicity 0.1534036E+01 Ellipticity -0.5219651E+01 Gb(Abramov) 0.2501191E-01 Vb(Abramov) -0.2290591E-01 Hb(Abramov) 0.2105993E-02 Ex_ueg -0.5952269E-02 Ec_ueg -0.1184752E-02 Delta_ex -0.6969474E-02 Delta_ec 0.2000731E-02 Delta_et -0.1794936E-01 Pxc 0.5024063E+01 Qxc -0.3483464E+01 3,+1 125 3 -1 -0.477649 0.466681 0.476245 Rho 0.1870805E+00 |GRAD(Rho)| 0.3656277E-15 GRAD(Rho)x -0.1700029E-15 GRAD(Rho)y -0.3087808E-15 GRAD(Rho)z 0.9714451E-16 Laplacian 0.5170942E+00 (-1/4)Del**2(Rho)) -0.1292736E+00 Diamond 0.1391042E+01 Metallicity 0.8155007E+01 Ellipticity 0.2758115E-02 Gb(Abramov) 0.2618868E+00 Vb(Abramov) -0.3945001E+00 Hb(Abramov) -0.1326133E+00 Ex_ueg -0.7902353E-01 Ec_ueg -0.1085813E-01 Delta_ex -0.5885980E-01 Delta_ec 0.1272334E-01 Delta_et -0.1749106E+00 Pxc 0.7277824E+01 Qxc -0.4626126E+01 3,-1 126 3 +3 -0.000199 -0.003519 2.336726 Rho 0.4665514E-02 |GRAD(Rho)| 0.4520180E-17 GRAD(Rho)x 0.9806010E-18 GRAD(Rho)y 0.4321122E-17 GRAD(Rho)z -0.8935051E-18 Laplacian 0.1912805E-01 (-1/4)Del**2(Rho)) -0.4782011E-02 Diamond 0.1792452E-03 Metallicity 0.4692904E+00 Ellipticity -0.3122371E+00 Gb(Abramov) 0.3562033E-02 Vb(Abramov) -0.2342054E-02 Hb(Abramov) 0.1219978E-02 Ex_ueg -0.5757726E-03 Ec_ueg -0.1325470E-03 Delta_ex -0.7071154E-03 Delta_ec 0.1892571E-03 Delta_et -0.1174838E-02 Pxc 0.4343913E+01 Qxc -0.3736268E+01 3,+3 127 3 -1 -0.021160 -2.903448 -0.021509 Rho 0.5289848E-02 |GRAD(Rho)| 0.2321695E-17 GRAD(Rho)x 0.5240931E-18 GRAD(Rho)y -0.9491880E-18 GRAD(Rho)z -0.2052958E-17 Laplacian 0.2125424E-01 (-1/4)Del**2(Rho)) -0.5313560E-02 Diamond 0.6215975E-03 Metallicity 0.5206824E+00 Ellipticity 0.3000845E+01 Gb(Abramov) 0.4003486E-02 Vb(Abramov) -0.2693412E-02 Hb(Abramov) 0.1310074E-02 Ex_ueg -0.6807317E-03 Ec_ueg -0.1594074E-03 Delta_ex -0.1143221E-02 Delta_ec 0.8029733E-03 Delta_et -0.4381507E-02 Pxc 0.4270390E+01 Qxc -0.1423735E+01 3,-1 128 3 -1 -0.071961 -3.134320 3.260888 Rho 0.2415840E+00 |GRAD(Rho)| 0.9291200E-12 GRAD(Rho)x 0.1720567E-12 GRAD(Rho)y 0.6420109E-12 GRAD(Rho)z -0.6492168E-12 Laplacian 0.8622986E+00 (-1/4)Del**2(Rho)) -0.2155747E+00 Diamond 0.3089292E+01 Metallicity 0.7488633E+01 Ellipticity 0.3252008E-03 Gb(Abramov) 0.4127763E+00 Vb(Abramov) -0.6099780E+00 Hb(Abramov) -0.1972017E+00 Ex_ueg -0.1111244E+00 Ec_ueg -0.1454868E-01 Delta_ex -0.1044434E+00 Delta_ec 0.1915628E-01 Delta_et -0.2660494E+00 Pxc 0.7638107E+01 Qxc -0.5452175E+01 3,-1 129 3 -1 0.067475 -3.133935 -3.261745 Rho 0.2515115E+00 |GRAD(Rho)| 0.2785531E-15 GRAD(Rho)x -0.1303753E-16 GRAD(Rho)y -0.1829049E-15 GRAD(Rho)z -0.2096847E-15 Laplacian 0.9180104E+00 (-1/4)Del**2(Rho)) -0.2295026E+00 Diamond 0.3420064E+01 Metallicity 0.7522498E+01 Ellipticity 0.2440960E-02 Gb(Abramov) 0.4407406E+00 Vb(Abramov) -0.6519785E+00 Hb(Abramov) -0.2112380E+00 Ex_ueg -0.1172543E+00 Ec_ueg -0.1523850E-01 Delta_ex -0.1122082E+00 Delta_ec 0.1986219E-01 Delta_et -0.2748519E+00 Pxc 0.7694612E+01 Qxc -0.5649337E+01 3,-1 130 3 -1 0.849912 2.967871 -2.033483 Rho 0.1324069E+00 |GRAD(Rho)| 0.5532968E-15 GRAD(Rho)x -0.4734440E-15 GRAD(Rho)y -0.1986258E-15 GRAD(Rho)z -0.2062424E-15 Laplacian 0.5184274E+00 (-1/4)Del**2(Rho)) -0.1296068E+00 Diamond 0.9111336E+00 Metallicity 0.4572038E+01 Ellipticity 0.2684697E-01 Gb(Abramov) 0.1851658E+00 Vb(Abramov) -0.2407247E+00 Hb(Abramov) -0.5555895E-01 Ex_ueg -0.4984245E-01 Ec_ueg -0.7327005E-02 Delta_ex -0.5408610E-01 Delta_ec 0.1370236E-01 Delta_et -0.1793073E+00 Pxc 0.6802568E+01 Qxc -0.3947211E+01 3,-1 131 3 +1 0.180795 0.177170 -2.898131 Rho 0.5402860E-02 |GRAD(Rho)| 0.6204724E-16 GRAD(Rho)x 0.4092569E-16 GRAD(Rho)y 0.4653028E-16 GRAD(Rho)z -0.3143467E-17 Laplacian 0.2229933E-01 (-1/4)Del**2(Rho)) -0.5574832E-02 Diamond 0.5353599E-03 Metallicity 0.5140763E+00 Ellipticity -0.2340874E+01 Gb(Abramov) 0.4194203E-02 Vb(Abramov) -0.2813574E-02 Hb(Abramov) 0.1380629E-02 Ex_ueg -0.7001913E-03 Ec_ueg -0.1642905E-03 Delta_ex -0.1090520E-02 Delta_ec 0.6397384E-03 Delta_et -0.3581064E-02 Pxc 0.4261910E+01 Qxc -0.1704635E+01 3,+1 132 3 +3 1.104614 1.136142 1.103886 Rho 0.5193060E-02 |GRAD(Rho)| 0.1370200E-13 GRAD(Rho)x -0.7991359E-14 GRAD(Rho)y -0.8546610E-14 GRAD(Rho)z 0.7130106E-14 Laplacian 0.2012464E-01 (-1/4)Del**2(Rho)) -0.5031161E-02 Diamond 0.1469171E-03 Metallicity 0.5332415E+00 Ellipticity -0.8062619E-01 Gb(Abramov) 0.3801244E-02 Vb(Abramov) -0.2571328E-02 Hb(Abramov) 0.1229916E-02 Ex_ueg -0.6641755E-03 Ec_ueg -0.1552304E-03 Delta_ex -0.7016743E-03 Delta_ec 0.8690264E-04 Delta_et -0.6974634E-03 Pxc 0.4278643E+01 Qxc -0.8074258E+01 3,+3 133 3 +1 0.166649 -0.164632 2.892653 Rho 0.5282566E-02 |GRAD(Rho)| 0.2674165E-17 GRAD(Rho)x 0.7807483E-19 GRAD(Rho)y 0.2671151E-17 GRAD(Rho)z 0.1000910E-18 Laplacian 0.2187582E-01 (-1/4)Del**2(Rho)) -0.5468955E-02 Diamond 0.5337723E-03 Metallicity 0.5047276E+00 Ellipticity -0.2759594E+01 Gb(Abramov) 0.4106025E-02 Vb(Abramov) -0.2743096E-02 Hb(Abramov) 0.1362929E-02 Ex_ueg -0.6794825E-03 Ec_ueg -0.1590930E-03 Delta_ex -0.1085906E-02 Delta_ec 0.6649589E-03 Delta_et -0.3680964E-02 Pxc 0.4270978E+01 Qxc -0.1633043E+01 3,+1 134 3 +1 0.524058 0.543856 1.664973 Rho 0.8947230E-02 |GRAD(Rho)| 0.6326399E-17 GRAD(Rho)x -0.1514002E-17 GRAD(Rho)y -0.4857112E-17 GRAD(Rho)z -0.3760264E-17 Laplacian 0.3468599E-01 (-1/4)Del**2(Rho)) -0.8671498E-02 Diamond 0.9835393E-03 Metallicity 0.7660788E+00 Ellipticity -0.1474314E+01 Gb(Abramov) 0.6888174E-02 Vb(Abramov) -0.5104849E-02 Hb(Abramov) 0.1783324E-02 Ex_ueg -0.1371839E-02 Ec_ueg -0.3205428E-03 Delta_ex -0.1602216E-02 Delta_ec 0.4910137E-03 Delta_et -0.3387995E-02 Pxc 0.4279738E+01 Qxc -0.3263078E+01 3,+1 135 3 +1 1.432358 1.040123 -2.161918 Rho 0.2732839E-01 |GRAD(Rho)| 0.4244059E-16 GRAD(Rho)x -0.1034094E-16 GRAD(Rho)y 0.1097668E-16 GRAD(Rho)z -0.3967091E-16 Laplacian 0.1086863E+00 (-1/4)Del**2(Rho)) -0.2717158E-01 Diamond 0.1480687E-01 Metallicity 0.1572033E+01 Ellipticity -0.2730670E+01 Gb(Abramov) 0.2523349E-01 Vb(Abramov) -0.2329540E-01 Hb(Abramov) 0.1938089E-02 Ex_ueg -0.6079537E-02 Ec_ueg -0.1206645E-02 Delta_ex -0.6801094E-02 Delta_ec 0.1626889E-02 Delta_et -0.1471080E-01 Pxc 0.5038382E+01 Qxc -0.4180430E+01 3,+1 136 3 -1 -0.570204 1.764053 -2.799241 Rho 0.1490100E+00 |GRAD(Rho)| 0.1291354E-11 GRAD(Rho)x -0.8706462E-12 GRAD(Rho)y -0.9130364E-12 GRAD(Rho)z -0.2755649E-12 Laplacian 0.6293718E+00 (-1/4)Del**2(Rho)) -0.1573430E+00 Diamond 0.1262139E+01 Metallicity 0.4585620E+01 Ellipticity 0.1339884E-01 Gb(Abramov) 0.2251478E+00 Vb(Abramov) -0.2929526E+00 Hb(Abramov) -0.6780484E-01 Ex_ueg -0.5834524E-01 Ec_ueg -0.8380167E-02 Delta_ex -0.6744677E-01 Delta_ec 0.1593784E-01 Delta_et -0.2118376E+00 Pxc 0.6962300E+01 Qxc -0.4231864E+01 3,-1 137 3 -1 0.554654 -2.748345 -1.843623 Rho 0.1319319E+00 |GRAD(Rho)| 0.3099375E-15 GRAD(Rho)x -0.1465977E-15 GRAD(Rho)y 0.4713569E-16 GRAD(Rho)z -0.2689770E-15 Laplacian 0.5518018E+00 (-1/4)Del**2(Rho)) -0.1379505E+00 Diamond 0.9631090E+00 Metallicity 0.4269852E+01 Ellipticity 0.1270962E-01 Gb(Abramov) 0.1901383E+00 Vb(Abramov) -0.2423262E+00 Hb(Abramov) -0.5218785E-01 Ex_ueg -0.4960414E-01 Ec_ueg -0.7297130E-02 Delta_ex -0.5748853E-01 Delta_ec 0.1454421E-01 Delta_et -0.1901133E+00 Pxc 0.6797760E+01 Qxc -0.3952675E+01 3,-1 138 3 -1 0.576586 -1.762671 -2.806557 Rho 0.1591942E+00 |GRAD(Rho)| 0.1850119E-15 GRAD(Rho)x 0.1694608E-15 GRAD(Rho)y -0.6648870E-16 GRAD(Rho)z 0.3304106E-16 Laplacian 0.6677059E+00 (-1/4)Del**2(Rho)) -0.1669265E+00 Diamond 0.1443302E+01 Metallicity 0.4825844E+01 Ellipticity 0.1997619E-01 Gb(Abramov) 0.2455445E+00 Vb(Abramov) -0.3241625E+00 Hb(Abramov) -0.7861802E-01 Ex_ueg -0.6372179E-01 Ec_ueg -0.9034648E-02 Delta_ex -0.7267361E-01 Delta_ec 0.1652594E-01 Delta_et -0.2213387E+00 Pxc 0.7053046E+01 Qxc -0.4397548E+01 3,-1 139 3 -1 0.533641 1.704753 -1.754905 Rho 0.5006461E-01 |GRAD(Rho)| 0.2277004E-15 GRAD(Rho)x 0.8452372E-16 GRAD(Rho)y -0.1562141E-15 GRAD(Rho)z 0.1424794E-15 Laplacian 0.2048637E+00 (-1/4)Del**2(Rho)) -0.5121592E-01 Diamond 0.1032986E+00 Metallicity 0.2287527E+01 Ellipticity 0.1415134E-01 Gb(Abramov) 0.5367024E-01 Vb(Abramov) -0.5612457E-01 Hb(Abramov) -0.2454329E-02 Ex_ueg -0.1362781E-01 Ec_ueg -0.2418446E-02 Delta_ex -0.1683670E-01 Delta_ec 0.6047615E-02 Delta_et -0.6377627E-01 Pxc 0.5634947E+01 Qxc -0.2784023E+01 3,-1 140 3 +1 1.744994 1.753909 1.734800 Rho 0.1197266E-01 |GRAD(Rho)| 0.1656852E-16 GRAD(Rho)x 0.1026403E-16 GRAD(Rho)y -0.1087358E-16 GRAD(Rho)z 0.7136590E-17 Laplacian 0.6013161E-01 (-1/4)Del**2(Rho)) -0.1503290E-01 Diamond 0.2405113E-02 Metallicity 0.7180615E+00 Ellipticity -0.1247926E+01 Gb(Abramov) 0.1182103E-01 Vb(Abramov) -0.8609150E-02 Hb(Abramov) 0.3211876E-02 Ex_ueg -0.2022892E-02 Ec_ueg -0.4583072E-03 Delta_ex -0.2954870E-02 Delta_ec 0.7821395E-03 Delta_et -0.5860217E-02 Pxc 0.4413835E+01 Qxc -0.3777932E+01 3,+1 141 3 -1 0.566117 1.777469 2.803420 Rho 0.1394902E+00 |GRAD(Rho)| 0.4623373E-13 GRAD(Rho)x -0.2615640E-13 GRAD(Rho)y -0.1793913E-13 GRAD(Rho)z -0.3363909E-13 Laplacian 0.5876078E+00 (-1/4)Del**2(Rho)) -0.1469020E+00 Diamond 0.1073008E+01 Metallicity 0.4399790E+01 Ellipticity 0.2020507E-01 Gb(Abramov) 0.2056576E+00 Vb(Abramov) -0.2644132E+00 Hb(Abramov) -0.5875564E-01 Ex_ueg -0.5342897E-01 Ec_ueg -0.7774170E-02 Delta_ex -0.6179148E-01 Delta_ec 0.1481940E-01 Delta_et -0.1944627E+00 Pxc 0.6872627E+01 Qxc -0.4169634E+01 3,-1 142 3 -1 -0.053524 3.134448 -3.261058 Rho 0.2513717E+00 |GRAD(Rho)| 0.4749451E-10 GRAD(Rho)x 0.8993295E-11 GRAD(Rho)y -0.3289292E-10 GRAD(Rho)z 0.3305911E-10 Laplacian 0.9204713E+00 (-1/4)Del**2(Rho)) -0.2301178E+00 Diamond 0.3424713E+01 Metallicity 0.7495438E+01 Ellipticity 0.1577608E-02 Gb(Abramov) 0.4408842E+00 Vb(Abramov) -0.6516506E+00 Hb(Abramov) -0.2107664E+00 Ex_ueg -0.1171675E+00 Ec_ueg -0.1522875E-01 Delta_ex -0.1124814E+00 Delta_ec 0.1989894E-01 Delta_et -0.2752640E+00 Pxc 0.7693834E+01 Qxc -0.5652634E+01 3,-1 143 3 -1 -0.541424 2.745979 -1.841371 Rho 0.1270971E+00 |GRAD(Rho)| 0.1286215E-12 GRAD(Rho)x 0.1216451E-12 GRAD(Rho)y 0.1351938E-13 GRAD(Rho)z -0.3953703E-13 Laplacian 0.5316172E+00 (-1/4)Del**2(Rho)) -0.1329043E+00 Diamond 0.8869093E+00 Metallicity 0.4164600E+01 Ellipticity 0.1302194E-01 Gb(Abramov) 0.1808517E+00 Vb(Abramov) -0.2287992E+00 Hb(Abramov) -0.4794743E-01 Ex_ueg -0.4719533E-01 Ec_ueg -0.6993948E-02 Delta_ex -0.5488709E-01 Delta_ec 0.1413135E-01 Delta_et -0.1835765E+00 Pxc 0.6748024E+01 Qxc -0.3884065E+01 3,-1 144 3 +1 1.111079 -1.338334 2.169640 Rho 0.2830692E-01 |GRAD(Rho)| 0.1330406E-16 GRAD(Rho)x -0.2474847E-17 GRAD(Rho)y -0.3407408E-17 GRAD(Rho)z 0.1261993E-16 Laplacian 0.1151652E+00 (-1/4)Del**2(Rho)) -0.2879130E-01 Diamond 0.1845728E-01 Metallicity 0.1573184E+01 Ellipticity -0.4654640E+01 Gb(Abramov) 0.2674321E-01 Vb(Abramov) -0.2469511E-01 Hb(Abramov) 0.2048096E-02 Ex_ueg -0.6371504E-02 Ec_ueg -0.1256612E-02 Delta_ex -0.7459037E-02 Delta_ec 0.2050239E-02 Delta_et -0.1863707E-01 Pxc 0.5070384E+01 Qxc -0.3638130E+01 3,+1 145 3 -1 0.530751 -1.698786 1.766030 Rho 0.4244263E-01 |GRAD(Rho)| 0.5637998E-16 GRAD(Rho)x 0.1059818E-16 GRAD(Rho)y 0.5075908E-16 GRAD(Rho)z -0.2213361E-16 Laplacian 0.1780192E+00 (-1/4)Del**2(Rho)) -0.4450481E-01 Diamond 0.7368772E-01 Metallicity 0.1999018E+01 Ellipticity 0.1753558E-01 Gb(Abramov) 0.4449752E-01 Vb(Abramov) -0.4449024E-01 Hb(Abramov) 0.7285441E-05 Ex_ueg -0.1093423E-01 Ec_ueg -0.2001599E-02 Delta_ex -0.1414306E-01 Delta_ec 0.5451019E-02 Delta_et -0.5506487E-01 Pxc 0.5462746E+01 Qxc -0.2594572E+01 3,-1 146 3 +3 1.126063 -1.105795 -1.105269 Rho 0.5104796E-02 |GRAD(Rho)| 0.1258421E-11 GRAD(Rho)x -0.1257874E-11 GRAD(Rho)y 0.3450534E-13 GRAD(Rho)z 0.1360484E-13 Laplacian 0.1982459E-01 (-1/4)Del**2(Rho)) -0.4956147E-02 Diamond 0.1429559E-03 Metallicity 0.5260653E+00 Ellipticity -0.9918280E-01 Gb(Abramov) 0.3738641E-02 Vb(Abramov) -0.2521135E-02 Hb(Abramov) 0.1217506E-02 Ex_ueg -0.6491667E-03 Ec_ueg -0.1514254E-03 Delta_ex -0.6893567E-03 Delta_ec 0.8817276E-04 Delta_et -0.6980775E-03 Pxc 0.4287040E+01 Qxc -0.7818251E+01 3,+3 147 3 -1 0.476728 -0.462536 0.471722 Rho 0.1873568E+00 |GRAD(Rho)| 0.3202433E-15 GRAD(Rho)x 0.1942890E-15 GRAD(Rho)y -0.7632783E-16 GRAD(Rho)z -0.2428613E-15 Laplacian 0.5180686E+00 (-1/4)Del**2(Rho)) -0.1295172E+00 Diamond 0.1397093E+01 Metallicity 0.8159718E+01 Ellipticity 0.2566103E-02 Gb(Abramov) 0.2624820E+00 Vb(Abramov) -0.3954469E+00 Hb(Abramov) -0.1329649E+00 Ex_ueg -0.7917921E-01 Ec_ueg -0.1087642E-01 Delta_ex -0.5899971E-01 Delta_ec 0.1275502E-01 Delta_et -0.1754120E+00 Pxc 0.7279896E+01 Qxc -0.4625609E+01 3,-1 148 3 -1 0.465908 0.483944 -0.470867 Rho 0.1873064E+00 |GRAD(Rho)| 0.6911465E-12 GRAD(Rho)x -0.4065533E-12 GRAD(Rho)y -0.3885503E-12 GRAD(Rho)z 0.4017793E-12 Laplacian 0.5178965E+00 (-1/4)Del**2(Rho)) -0.1294741E+00 Diamond 0.1395088E+01 Metallicity 0.8158770E+01 Ellipticity 0.2877713E-02 Gb(Abramov) 0.2623743E+00 Vb(Abramov) -0.3952746E+00 Hb(Abramov) -0.1329002E+00 Ex_ueg -0.7915080E-01 Ec_ueg -0.1087308E-01 Delta_ex -0.5896804E-01 Delta_ec 0.1273728E-01 Delta_et -0.1751190E+00 Pxc 0.7279519E+01 Qxc -0.4629563E+01 3,-1 149 3 +3 2.324312 0.016788 -0.032859 Rho 0.4648330E-02 |GRAD(Rho)| 0.1856330E-14 GRAD(Rho)x -0.1349263E-14 GRAD(Rho)y 0.6451233E-15 GRAD(Rho)z -0.1099667E-14 Laplacian 0.1890459E-01 (-1/4)Del**2(Rho)) -0.4726147E-02 Diamond 0.1715235E-03 Metallicity 0.4719264E+00 Ellipticity -0.3398784E+00 Gb(Abramov) 0.3522497E-02 Vb(Abramov) -0.2318847E-02 Hb(Abramov) 0.1203650E-02 Ex_ueg -0.5729469E-03 Ec_ueg -0.1318105E-03 Delta_ex -0.6933478E-03 Delta_ec 0.1783798E-03 Delta_et -0.1117551E-02 Pxc 0.4346745E+01 Qxc -0.3886919E+01 3,+3 150 3 -1 0.001658 0.000014 2.899311 Rho 0.5316594E-02 |GRAD(Rho)| 0.1025285E-14 GRAD(Rho)x 0.4910474E-15 GRAD(Rho)y -0.8915401E-15 GRAD(Rho)z -0.1234455E-15 Laplacian 0.2142922E-01 (-1/4)Del**2(Rho)) -0.5357305E-02 Diamond 0.6294818E-03 Metallicity 0.5207899E+00 Ellipticity 0.2919291E+01 Gb(Abramov) 0.4036542E-02 Vb(Abramov) -0.2715779E-02 Hb(Abramov) 0.1320763E-02 Ex_ueg -0.6853246E-03 Ec_ueg -0.1605625E-03 Delta_ex -0.1152414E-02 Delta_ec 0.8073033E-03 Delta_et -0.4412682E-02 Pxc 0.4268275E+01 Qxc -0.1427485E+01 3,-1 151 3 -1 0.831417 -2.964291 2.037263 Rho 0.1156592E+00 |GRAD(Rho)| 0.6394831E-13 GRAD(Rho)x 0.3025885E-13 GRAD(Rho)y 0.2161119E-13 GRAD(Rho)z -0.5202639E-13 Laplacian 0.4487744E+00 (-1/4)Del**2(Rho)) -0.1121936E+00 Diamond 0.6626178E+00 Metallicity 0.4215853E+01 Ellipticity 0.2959297E-01 Gb(Abramov) 0.1536277E+00 Vb(Abramov) -0.1950618E+00 Hb(Abramov) -0.4143409E-01 Ex_ueg -0.4161904E-01 Ec_ueg -0.6283027E-02 Delta_ex -0.4522148E-01 Delta_ec 0.1204830E-01 Delta_et -0.1537441E+00 Pxc 0.6624042E+01 Qxc -0.3753349E+01 3,-1 152 3 -1 0.874531 1.949115 -3.025592 Rho 0.1581446E+00 |GRAD(Rho)| 0.8420663E-16 GRAD(Rho)x 0.6207057E-16 GRAD(Rho)y 0.5136408E-16 GRAD(Rho)z 0.2448942E-16 Laplacian 0.6214692E+00 (-1/4)Del**2(Rho)) -0.1553673E+00 Diamond 0.1344353E+01 Metallicity 0.5128035E+01 Ellipticity 0.5558702E-01 Gb(Abramov) 0.2363663E+00 Vb(Abramov) -0.3173654E+00 Hb(Abramov) -0.8099905E-01 Ex_ueg -0.6316226E-01 Ec_ueg -0.8966909E-02 Delta_ex -0.6763816E-01 Delta_ec 0.1560009E-01 Delta_et -0.2092480E+00 Pxc 0.7043927E+01 Qxc -0.4335754E+01 3,-1 153 3 +1 1.324177 2.188090 -1.125814 Rho 0.2840817E-01 |GRAD(Rho)| 0.1162433E-15 GRAD(Rho)x -0.4594937E-16 GRAD(Rho)y -0.1055664E-15 GRAD(Rho)z 0.1602844E-16 Laplacian 0.1158232E+00 (-1/4)Del**2(Rho)) -0.2895579E-01 Diamond 0.1881500E-01 Metallicity 0.1573584E+01 Ellipticity -0.4964999E+01 Gb(Abramov) 0.2689792E-01 Vb(Abramov) -0.2484005E-01 Hb(Abramov) 0.2057869E-02 Ex_ueg -0.6401909E-02 Ec_ueg -0.1261795E-02 Delta_ex -0.7523543E-02 Delta_ec 0.2088249E-02 Delta_et -0.1899572E-01 Pxc 0.5073652E+01 Qxc -0.3602799E+01 3,+1 154 3 -1 0.035463 2.904776 -0.029132 Rho 0.5333867E-02 |GRAD(Rho)| 0.2219203E-15 GRAD(Rho)x -0.2204727E-15 GRAD(Rho)y -0.2485694E-16 GRAD(Rho)z -0.4751336E-17 Laplacian 0.2143320E-01 (-1/4)Del**2(Rho)) -0.5358300E-02 Diamond 0.6313374E-03 Metallicity 0.5235157E+00 Ellipticity 0.2920792E+01 Gb(Abramov) 0.4039726E-02 Vb(Abramov) -0.2721152E-02 Hb(Abramov) 0.1318574E-02 Ex_ueg -0.6882950E-03 Ec_ueg -0.1613086E-03 Delta_ex -0.1152448E-02 Delta_ec 0.8059163E-03 Delta_et -0.4409977E-02 Pxc 0.4266945E+01 Qxc -0.1429985E+01 3,-1 155 3 +1 1.083806 -2.166648 1.385315 Rho 0.2667951E-01 |GRAD(Rho)| 0.3169716E-16 GRAD(Rho)x -0.1784770E-16 GRAD(Rho)y 0.2561141E-16 GRAD(Rho)z 0.5497745E-17 Laplacian 0.1069252E+00 (-1/4)Del**2(Rho)) -0.2673131E-01 Diamond 0.1573923E-01 Metallicity 0.1535192E+01 Ellipticity -0.4266633E+01 Gb(Abramov) 0.2466049E-01 Vb(Abramov) -0.2258967E-01 Hb(Abramov) 0.2070822E-02 Ex_ueg -0.5887833E-02 Ec_ueg -0.1173641E-02 Delta_ex -0.6811208E-02 Delta_ec 0.1893519E-02 Delta_et -0.1696638E-01 Pxc 0.5016724E+01 Qxc -0.3597115E+01 3,+1 156 3 -1 0.861005 -1.957567 3.015819 Rho 0.1402354E+00 |GRAD(Rho)| 0.2246398E-15 GRAD(Rho)x -0.9927226E-16 GRAD(Rho)y -0.1540177E-15 GRAD(Rho)z -0.1299484E-15 Laplacian 0.5485035E+00 (-1/4)Del**2(Rho)) -0.1371259E+00 Diamond 0.1016741E+01 Metallicity 0.4755505E+01 Ellipticity 0.5851725E-01 Gb(Abramov) 0.2001011E+00 Vb(Abramov) -0.2630763E+00 Hb(Abramov) -0.6297519E-01 Ex_ueg -0.5380989E-01 Ec_ueg -0.7821402E-02 Delta_ex -0.5784952E-01 Delta_ec 0.1398448E-01 Delta_et -0.1840113E+00 Pxc 0.6879827E+01 Qxc -0.4136694E+01 3,-1 157 3 +1 1.749989 -1.744701 -1.746926 Rho 0.1196504E-01 |GRAD(Rho)| 0.8380440E-17 GRAD(Rho)x 0.4186264E-17 GRAD(Rho)y 0.5498863E-17 GRAD(Rho)z -0.4740198E-17 Laplacian 0.6001903E-01 (-1/4)Del**2(Rho)) -0.1500476E-01 Diamond 0.2399224E-02 Metallicity 0.7186451E+00 Ellipticity -0.1251224E+01 Gb(Abramov) 0.1180035E-01 Vb(Abramov) -0.8595950E-02 Hb(Abramov) 0.3204403E-02 Ex_ueg -0.2021175E-02 Ec_ueg -0.4579554E-03 Delta_ex -0.2949049E-02 Delta_ec 0.7810431E-03 Delta_et -0.5850806E-02 Pxc 0.4413476E+01 Qxc -0.3775782E+01 3,+1 158 3 -1 0.541876 2.754769 1.857203 Rho 0.1150044E+00 |GRAD(Rho)| 0.3380820E-13 GRAD(Rho)x -0.2035354E-13 GRAD(Rho)y -0.5718245E-14 GRAD(Rho)z 0.2638237E-13 Laplacian 0.4765724E+00 (-1/4)Del**2(Rho)) -0.1191431E+00 Diamond 0.6963247E+00 Metallicity 0.3932556E+01 Ellipticity 0.7173587E-02 Gb(Abramov) 0.1575182E+00 Vb(Abramov) -0.1958933E+00 Hb(Abramov) -0.3837512E-01 Ex_ueg -0.4130515E-01 Ec_ueg -0.6242603E-02 Delta_ex -0.4792171E-01 Delta_ec 0.1274687E-01 Delta_et -0.1623934E+00 Pxc 0.6616655E+01 Qxc -0.3759489E+01 3,-1 159 3 -1 1.857245 -0.544692 -2.748110 Rho 0.1131384E+00 |GRAD(Rho)| 0.1245507E-11 GRAD(Rho)x 0.1456181E-12 GRAD(Rho)y 0.9617942E-12 GRAD(Rho)z 0.7778400E-12 Laplacian 0.4714323E+00 (-1/4)Del**2(Rho)) -0.1178581E+00 Diamond 0.6756736E+00 Metallicity 0.3868508E+01 Ellipticity 0.8679313E-02 Gb(Abramov) 0.1545612E+00 Vb(Abramov) -0.1912644E+00 Hb(Abramov) -0.3670314E-01 Ex_ueg -0.4041397E-01 Ec_ueg -0.6127579E-02 Delta_ex -0.4722520E-01 Delta_ec 0.1266454E-01 Delta_et -0.1608829E+00 Pxc 0.6595422E+01 Qxc -0.3728932E+01 3,-1 160 3 -1 1.756655 -0.529030 1.690938 Rho 0.4992030E-01 |GRAD(Rho)| 0.1089156E-15 GRAD(Rho)x -0.8852087E-16 GRAD(Rho)y -0.4548080E-16 GRAD(Rho)z -0.4425112E-16 Laplacian 0.2036465E+00 (-1/4)Del**2(Rho)) -0.5091162E-01 Diamond 0.1022026E+00 Metallicity 0.2290155E+01 Ellipticity 0.1294847E-01 Gb(Abramov) 0.5337367E-01 Vb(Abramov) -0.5583571E-01 Hb(Abramov) -0.2462043E-02 Ex_ueg -0.1357546E-01 Ec_ueg -0.2410469E-02 Delta_ex -0.1672103E-01 Delta_ec 0.6005642E-02 Delta_et -0.6328428E-01 Pxc 0.5631876E+01 Qxc -0.2784220E+01 3,-1 161 3 -1 2.749569 -1.861864 -0.545654 Rho 0.1140167E+00 |GRAD(Rho)| 0.2594053E-15 GRAD(Rho)x 0.7442540E-16 GRAD(Rho)y 0.1800385E-15 GRAD(Rho)z -0.1712836E-15 Laplacian 0.4729431E+00 (-1/4)Del**2(Rho)) -0.1182358E+00 Diamond 0.6840855E+00 Metallicity 0.3906178E+01 Ellipticity 0.6163536E-02 Gb(Abramov) 0.1557988E+00 Vb(Abramov) -0.1933619E+00 Hb(Abramov) -0.3756308E-01 Ex_ueg -0.4083287E-01 Ec_ueg -0.6181693E-02 Delta_ex -0.4746225E-01 Delta_ec 0.1268013E-01 Delta_et -0.1613019E+00 Pxc 0.6605451E+01 Qxc -0.3743041E+01 3,-1 162 3 -1 1.841329 0.549855 2.737399 Rho 0.1303703E+00 |GRAD(Rho)| 0.1077835E-15 GRAD(Rho)x 0.5992928E-16 GRAD(Rho)y -0.8471685E-16 GRAD(Rho)z 0.2913455E-16 Laplacian 0.5458914E+00 (-1/4)Del**2(Rho)) -0.1364728E+00 Diamond 0.9387367E+00 Metallicity 0.4231275E+01 Ellipticity 0.1258506E-01 Gb(Abramov) 0.1872242E+00 Vb(Abramov) -0.2379757E+00 Hb(Abramov) -0.5075140E-01 Ex_ueg -0.4882285E-01 Ec_ueg -0.7199037E-02 Delta_ex -0.5670351E-01 Delta_ec 0.1441818E-01 Delta_et -0.1880810E+00 Pxc 0.6781859E+01 Qxc -0.3932779E+01 3,-1 163 3 -1 1.768170 0.542924 -1.702110 Rho 0.4184227E-01 |GRAD(Rho)| 0.3416607E-14 GRAD(Rho)x -0.2350689E-14 GRAD(Rho)y 0.1534877E-14 GRAD(Rho)z 0.1947209E-14 Laplacian 0.1755915E+00 (-1/4)Del**2(Rho)) -0.4389788E-01 Diamond 0.7132142E-01 Metallicity 0.1979103E+01 Ellipticity 0.1189082E-01 Gb(Abramov) 0.4374499E-01 Vb(Abramov) -0.4359210E-01 Hb(Abramov) 0.1528881E-03 Ex_ueg -0.1072849E-01 Ec_ueg -0.1969173E-02 Delta_ex -0.1390290E-01 Delta_ec 0.5380341E-02 Delta_et -0.5414310E-01 Pxc 0.5448223E+01 Qxc -0.2584019E+01 3,-1 164 3 -1 1.696702 1.779549 -0.529590 Rho 0.4360573E-01 |GRAD(Rho)| 0.5972849E-16 GRAD(Rho)x 0.5501691E-16 GRAD(Rho)y -0.1407028E-16 GRAD(Rho)z 0.1851106E-16 Laplacian 0.1835524E+00 (-1/4)Del**2(Rho)) -0.4588810E-01 Diamond 0.7900067E-01 Metallicity 0.2028114E+01 Ellipticity 0.1378175E-01 Gb(Abramov) 0.4610312E-01 Vb(Abramov) -0.4631813E-01 Hb(Abramov) -0.2150129E-03 Ex_ueg -0.1133556E-01 Ec_ueg -0.2064596E-02 Delta_ex -0.1468988E-01 Delta_ec 0.5635963E-02 Delta_et -0.5735110E-01 Pxc 0.5490450E+01 Qxc -0.2606454E+01 3,-1 165 3 -1 2.029341 -0.845667 2.953751 Rho 0.1307187E+00 |GRAD(Rho)| 0.4270777E-15 GRAD(Rho)x 0.2301219E-15 GRAD(Rho)y 0.3187825E-15 GRAD(Rho)z -0.1667842E-15 Laplacian 0.5125970E+00 (-1/4)Del**2(Rho)) -0.1281493E+00 Diamond 0.8866699E+00 Metallicity 0.4526196E+01 Ellipticity 0.2547410E-01 Gb(Abramov) 0.1821043E+00 Vb(Abramov) -0.2360593E+00 Hb(Abramov) -0.5395502E-01 Ex_ueg -0.4899691E-01 Ec_ueg -0.7220910E-02 Delta_ex -0.5330756E-01 Delta_ec 0.1358053E-01 Delta_et -0.1773252E+00 Pxc 0.6785421E+01 Qxc -0.3925294E+01 3,-1 166 3 -1 1.955802 3.029528 -0.866663 Rho 0.1397257E+00 |GRAD(Rho)| 0.3345963E-15 GRAD(Rho)x -0.2817435E-15 GRAD(Rho)y 0.1543226E-15 GRAD(Rho)z 0.9359375E-16 Laplacian 0.5457894E+00 (-1/4)Del**2(Rho)) -0.1364474E+00 Diamond 0.1007635E+01 Metallicity 0.4750235E+01 Ellipticity 0.5936773E-01 Gb(Abramov) 0.1989911E+00 Vb(Abramov) -0.2615348E+00 Hb(Abramov) -0.6254371E-01 Ex_ueg -0.5354924E-01 Ec_ueg -0.7789089E-02 Delta_ex -0.5751585E-01 Delta_ec 0.1393437E-01 Delta_et -0.1832672E+00 Pxc 0.6874905E+01 Qxc -0.4127624E+01 3,-1 167 3 -1 1.774499 2.815677 0.575098 Rho 0.1476109E+00 |GRAD(Rho)| 0.2176445E-15 GRAD(Rho)x -0.1981379E-15 GRAD(Rho)y 0.1711684E-16 GRAD(Rho)z -0.8841669E-16 Laplacian 0.6180206E+00 (-1/4)Del**2(Rho)) -0.1545051E+00 Diamond 0.1205239E+01 Metallicity 0.4596999E+01 Ellipticity 0.2696355E-01 Gb(Abramov) 0.2213801E+00 Vb(Abramov) -0.2882550E+00 Hb(Abramov) -0.6687495E-01 Ex_ueg -0.5761599E-01 Ec_ueg -0.8290755E-02 Delta_ex -0.6587173E-01 Delta_ec 0.1532050E-01 Delta_et -0.2025343E+00 Pxc 0.6949427E+01 Qxc -0.4299581E+01 3,-1 168 3 +1 2.903549 0.189254 -0.196819 Rho 0.5295545E-02 |GRAD(Rho)| 0.6246871E-17 GRAD(Rho)x 0.1929145E-17 GRAD(Rho)y 0.5197915E-17 GRAD(Rho)z -0.2878102E-17 Laplacian 0.2193656E-01 (-1/4)Del**2(Rho)) -0.5484140E-02 Diamond 0.5161853E-03 Metallicity 0.5053928E+00 Ellipticity -0.2298888E+01 Gb(Abramov) 0.4118034E-02 Vb(Abramov) -0.2751928E-02 Hb(Abramov) 0.1366106E-02 Ex_ueg -0.6817094E-03 Ec_ueg -0.1596534E-03 Delta_ex -0.1071524E-02 Delta_ec 0.6348039E-03 Delta_et -0.3529927E-02 Pxc 0.4269934E+01 Qxc -0.1687961E+01 3,+1 169 3 -1 2.904830 -0.031885 0.016210 Rho 0.5369118E-02 |GRAD(Rho)| 0.1774414E-16 GRAD(Rho)x -0.4982445E-17 GRAD(Rho)y 0.1698986E-16 GRAD(Rho)z -0.1172468E-17 Laplacian 0.2146071E-01 (-1/4)Del**2(Rho)) -0.5365178E-02 Diamond 0.6344654E-03 Metallicity 0.5286164E+00 Ellipticity 0.2958189E+01 Gb(Abramov) 0.4049472E-02 Vb(Abramov) -0.2733766E-02 Hb(Abramov) 0.1315706E-02 Ex_ueg -0.6943669E-03 Ec_ueg -0.1628319E-03 Delta_ex -0.1152529E-02 Delta_ec 0.8019743E-03 Delta_et -0.4398903E-02 Pxc 0.4264318E+01 Qxc -0.1437114E+01 3,-1 170 3 -1 2.040686 0.836213 -2.960933 Rho 0.1148202E+00 |GRAD(Rho)| 0.7699091E-16 GRAD(Rho)x 0.6884006E-16 GRAD(Rho)y 0.3202462E-16 GRAD(Rho)z -0.1276987E-16 Laplacian 0.4458173E+00 (-1/4)Del**2(Rho)) -0.1114543E+00 Diamond 0.6516827E+00 Metallicity 0.4192635E+01 Ellipticity 0.2605700E-01 Gb(Abramov) 0.1521841E+00 Vb(Abramov) -0.1929139E+00 Hb(Abramov) -0.4072978E-01 Ex_ueg -0.4121700E-01 Ec_ueg -0.6231242E-02 Delta_ex -0.4483410E-01 Delta_ec 0.1196804E-01 Delta_et -0.1524886E+00 Pxc 0.6614572E+01 Qxc -0.3746153E+01 3,-1 171 3 -1 2.803071 0.571823 1.754627 Rho 0.1537815E+00 |GRAD(Rho)| 0.4873222E-12 GRAD(Rho)x -0.5953114E-13 GRAD(Rho)y -0.3291896E-12 GRAD(Rho)z 0.3543631E-12 Laplacian 0.6459778E+00 (-1/4)Del**2(Rho)) -0.1614945E+00 Diamond 0.1342866E+01 Metallicity 0.4708712E+01 Ellipticity 0.1647549E-01 Gb(Abramov) 0.2344015E+00 Vb(Abramov) -0.3073085E+00 Hb(Abramov) -0.7290701E-01 Ex_ueg -0.6084950E-01 Ec_ueg -0.8686019E-02 Delta_ex -0.6974122E-01 Delta_ec 0.1618625E-01 Delta_et -0.2159624E+00 Pxc 0.7005453E+01 Qxc -0.4308670E+01 3,-1 172 3 +1 2.898931 -0.165259 0.144316 Rho 0.5350160E-02 |GRAD(Rho)| 0.5241031E-17 GRAD(Rho)x 0.1382159E-17 GRAD(Rho)y 0.1583302E-17 GRAD(Rho)z 0.4801166E-17 Laplacian 0.2186423E-01 (-1/4)Del**2(Rho)) -0.5466058E-02 Diamond 0.5474279E-03 Metallicity 0.5158106E+00 Ellipticity -0.3198722E+01 Gb(Abramov) 0.4113947E-02 Vb(Abramov) -0.2761836E-02 Hb(Abramov) 0.1352111E-02 Ex_ueg -0.6910998E-03 Ec_ueg -0.1620126E-03 Delta_ex -0.1092072E-02 Delta_ec 0.6717801E-03 Delta_et -0.3729899E-02 Pxc 0.4265716E+01 Qxc -0.1625640E+01 3,+1 173 3 -1 2.965903 -2.043734 0.838042 Rho 0.1213217E+00 |GRAD(Rho)| 0.1639170E-13 GRAD(Rho)x -0.4970322E-14 GRAD(Rho)y 0.1337128E-13 GRAD(Rho)z 0.8074189E-14 Laplacian 0.4717167E+00 (-1/4)Del**2(Rho)) -0.1179292E+00 Diamond 0.7364246E+00 Metallicity 0.4343393E+01 Ellipticity 0.3440362E-01 Gb(Abramov) 0.1639882E+00 Vb(Abramov) -0.2100473E+00 Hb(Abramov) -0.4605907E-01 Ex_ueg -0.4435775E-01 Ec_ueg -0.6633845E-02 Delta_ex -0.4806110E-01 Delta_ec 0.1249370E-01 Delta_et -0.1607156E+00 Pxc 0.6686581E+01 Qxc -0.3846828E+01 3,-1 174 3 -1 2.959913 2.046930 -0.838580 Rho 0.1157000E+00 |GRAD(Rho)| 0.1370859E-12 GRAD(Rho)x 0.9593598E-13 GRAD(Rho)y -0.9369061E-13 GRAD(Rho)z 0.2847652E-13 Laplacian 0.4485169E+00 (-1/4)Del**2(Rho)) -0.1121292E+00 Diamond 0.6625235E+00 Metallicity 0.4220754E+01 Ellipticity 0.2954013E-01 Gb(Abramov) 0.1536311E+00 Vb(Abramov) -0.1951330E+00 Hb(Abramov) -0.4150191E-01 Ex_ueg -0.4163862E-01 Ec_ueg -0.6285547E-02 Delta_ex -0.4519938E-01 Delta_ec 0.1204052E-01 Delta_et -0.1536547E+00 Pxc 0.6624502E+01 Qxc -0.3753938E+01 3,-1 175 3 -1 3.135311 -3.273484 -0.057069 Rho 0.2413516E+00 |GRAD(Rho)| 0.5638565E-12 GRAD(Rho)x -0.3879932E-12 GRAD(Rho)y 0.3972467E-12 GRAD(Rho)z 0.9793089E-13 Laplacian 0.8626796E+00 (-1/4)Del**2(Rho)) -0.2156699E+00 Diamond 0.3085897E+01 Metallicity 0.7473326E+01 Ellipticity 0.2049099E-03 Gb(Abramov) 0.4124085E+00 Vb(Abramov) -0.6091471E+00 Hb(Abramov) -0.1967386E+00 Ex_ueg -0.1109819E+00 Ec_ueg -0.1453260E-01 Delta_ex -0.1044570E+00 Delta_ec 0.1915907E-01 Delta_et -0.2660298E+00 Pxc 0.7636754E+01 Qxc -0.5452094E+01 3,-1 176 3 -1 2.814175 -0.572936 -1.776452 Rho 0.1481057E+00 |GRAD(Rho)| 0.2105827E-15 GRAD(Rho)x -0.4239908E-16 GRAD(Rho)y 0.1241954E-15 GRAD(Rho)z 0.1646903E-15 Laplacian 0.6187628E+00 (-1/4)Del**2(Rho)) -0.1546907E+00 Diamond 0.1211333E+01 Metallicity 0.4617165E+01 Ellipticity 0.2666458E-01 Gb(Abramov) 0.2221659E+00 Vb(Abramov) -0.2896411E+00 Hb(Abramov) -0.6747519E-01 Ex_ueg -0.5787365E-01 Ec_ueg -0.8322365E-02 Delta_ex -0.6600316E-01 Delta_ec 0.1532219E-01 Delta_et -0.2026391E+00 Pxc 0.6953992E+01 Qxc -0.4307684E+01 3,-1 177 3 -1 3.022759 -0.873300 1.941419 Rho 0.1518573E+00 |GRAD(Rho)| 0.4112138E-13 GRAD(Rho)x -0.1747337E-13 GRAD(Rho)y 0.2955625E-13 GRAD(Rho)z 0.2262913E-13 Laplacian 0.5963549E+00 (-1/4)Del**2(Rho)) -0.1490887E+00 Diamond 0.1230930E+01 Metallicity 0.4994606E+01 Ellipticity 0.4939666E-01 Gb(Abramov) 0.2234990E+00 Vb(Abramov) -0.2979094E+00 Hb(Abramov) -0.7441033E-01 Ex_ueg -0.5983647E-01 Ec_ueg -0.8562515E-02 Delta_ex -0.6428041E-01 Delta_ec 0.1516200E-01 Delta_et -0.2023610E+00 Pxc 0.6988189E+01 Qxc -0.4239573E+01 3,-1 178 3 -1 3.132609 3.269255 0.067362 Rho 0.2411375E+00 |GRAD(Rho)| 0.1801569E-15 GRAD(Rho)x 0.1523304E-16 GRAD(Rho)y 0.1770502E-15 GRAD(Rho)z -0.2962582E-16 Laplacian 0.8628559E+00 (-1/4)Del**2(Rho)) -0.2157140E+00 Diamond 0.3082358E+01 Metallicity 0.7460757E+01 Ellipticity 0.2096638E-02 Gb(Abramov) 0.4120409E+00 Vb(Abramov) -0.6083678E+00 Hb(Abramov) -0.1963269E+00 Ex_ueg -0.1108506E+00 Ec_ueg -0.1451778E-01 Delta_ex -0.1044496E+00 Delta_ec 0.1915975E-01 Delta_et -0.2659944E+00 Pxc 0.7635506E+01 Qxc -0.5451509E+01 3,-1 179 3 -1 3.274161 -0.061430 -3.130547 Rho 0.2409490E+00 |GRAD(Rho)| 0.4034720E-15 GRAD(Rho)x 0.1060350E-15 GRAD(Rho)y -0.2263272E-17 GRAD(Rho)z 0.3892828E-15 Laplacian 0.8595739E+00 (-1/4)Del**2(Rho)) -0.2148935E+00 Diamond 0.3070500E+01 Metallicity 0.7479487E+01 Ellipticity 0.1440258E-02 Gb(Abramov) 0.4111444E+00 Vb(Abramov) -0.6073954E+00 Hb(Abramov) -0.1962510E+00 Ex_ueg -0.1107351E+00 Ec_ueg -0.1450474E-01 Delta_ex -0.1040456E+00 Delta_ec 0.1911735E-01 Delta_et -0.2655131E+00 Pxc 0.7634406E+01 Qxc -0.5442471E+01 3,-1 180 3 -1 3.257102 0.058333 3.126338 Rho 0.2513806E+00 |GRAD(Rho)| 0.3880847E-15 GRAD(Rho)x 0.2302845E-15 GRAD(Rho)y -0.8863353E-17 GRAD(Rho)z 0.3122502E-15 Laplacian 0.9201145E+00 (-1/4)Del**2(Rho)) -0.2300286E+00 Diamond 0.3424350E+01 Metallicity 0.7498782E+01 Ellipticity 0.1949372E-02 Gb(Abramov) 0.4408415E+00 Vb(Abramov) -0.6516544E+00 Hb(Abramov) -0.2108129E+00 Ex_ueg -0.1171729E+00 Ec_ueg -0.1522936E-01 Delta_ex -0.1124430E+00 Delta_ec 0.1989834E-01 Delta_et -0.2752905E+00 Pxc 0.7693883E+01 Qxc -0.5650871E+01 3,-1 181 3 -1 3.030170 0.870600 -1.960128 Rho 0.1472899E+00 |GRAD(Rho)| 0.4259731E-12 GRAD(Rho)x -0.1141223E-12 GRAD(Rho)y -0.3285526E-12 GRAD(Rho)z -0.2459315E-12 Laplacian 0.5728335E+00 (-1/4)Del**2(Rho)) -0.1432084E+00 Diamond 0.1126879E+01 Metallicity 0.4941659E+01 Ellipticity 0.6482526E-01 Gb(Abramov) 0.2134201E+00 Vb(Abramov) -0.2836318E+00 Hb(Abramov) -0.7021170E-01 Ex_ueg -0.5744896E-01 Ec_ueg -0.8270252E-02 Delta_ex -0.6115211E-01 Delta_ec 0.1443913E-01 Delta_et -0.1913599E+00 Pxc 0.6946458E+01 Qxc -0.4235165E+01 3,-1 182 3 -1 0.054047 3.137254 3.267617 Rho 0.2416176E+00 |GRAD(Rho)| 0.3087990E-15 GRAD(Rho)x -0.1954274E-16 GRAD(Rho)y 0.5084908E-16 GRAD(Rho)z -0.3039561E-15 Laplacian 0.8633233E+00 (-1/4)Del**2(Rho)) -0.2158308E+00 Diamond 0.3092444E+01 Metallicity 0.7481478E+01 Ellipticity 0.1399661E-02 Gb(Abramov) 0.4130095E+00 Vb(Abramov) -0.6101881E+00 Hb(Abramov) -0.1971787E+00 Ex_ueg -0.1111450E+00 Ec_ueg -0.1455101E-01 Delta_ex -0.1045658E+00 Delta_ec 0.1916849E-01 Delta_et -0.2661771E+00 Pxc 0.7638302E+01 Qxc -0.5455089E+01 3,-1 183 3 -1 1.959244 -3.032421 0.869268 Rho 0.1479252E+00 |GRAD(Rho)| 0.1623243E-13 GRAD(Rho)x -0.8111499E-14 GRAD(Rho)y 0.1385759E-13 GRAD(Rho)z 0.2379607E-14 Laplacian 0.5767783E+00 (-1/4)Del**2(Rho)) -0.1441946E+00 Diamond 0.1139921E+01 Metallicity 0.4943195E+01 Ellipticity 0.6558560E-01 Gb(Abramov) 0.2149267E+00 Vb(Abramov) -0.2856589E+00 Hb(Abramov) -0.7073214E-01 Ex_ueg -0.5777960E-01 Ec_ueg -0.8310829E-02 Delta_ex -0.6163235E-01 Delta_ec 0.1451218E-01 Delta_et -0.1924184E+00 Pxc 0.6952328E+01 Qxc -0.4246940E+01 3,-1 184 3 -1 1.775709 -2.813227 -0.568110 Rho 0.1393586E+00 |GRAD(Rho)| 0.1588787E-12 GRAD(Rho)x 0.1053052E-12 GRAD(Rho)y 0.1170126E-12 GRAD(Rho)z -0.2147814E-13 Laplacian 0.5868666E+00 (-1/4)Del**2(Rho)) -0.1467167E+00 Diamond 0.1070962E+01 Metallicity 0.4398420E+01 Ellipticity 0.2047655E-01 Gb(Abramov) 0.2053647E+00 Vb(Abramov) -0.2640127E+00 Hb(Abramov) -0.5864804E-01 Ex_ueg -0.5336176E-01 Ec_ueg -0.7765831E-02 Delta_ex -0.6170503E-01 Delta_ec 0.1481440E-01 Delta_et -0.1943921E+00 Pxc 0.6871352E+01 Qxc -0.4165205E+01 3,-1 185 3 -1 2.748151 1.855774 0.544702 Rho 0.1189859E+00 |GRAD(Rho)| 0.2525192E-15 GRAD(Rho)x -0.1607330E-16 GRAD(Rho)y -0.2264492E-15 GRAD(Rho)z 0.1105818E-15 Laplacian 0.4962315E+00 (-1/4)Del**2(Rho)) -0.1240579E+00 Diamond 0.7547137E+00 Metallicity 0.3997189E+01 Ellipticity 0.3949150E-02 Gb(Abramov) 0.1653524E+00 Vb(Abramov) -0.2066469E+00 Hb(Abramov) -0.4129449E-01 Ex_ueg -0.4322275E-01 Ec_ueg -0.6488860E-02 Delta_ex -0.5029621E-01 Delta_ec 0.1315257E-01 Delta_et -0.1685423E+00 Pxc 0.6661070E+01 Qxc -0.3824061E+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 82 145 118 110 156 151 128 117 138 137 119 107 129 139 136 143 152 130 142 102 141 158 114 75 182 122 161 184 173 183 175 164 185 167 174 166 178 97 77 101 83 103 65 57 85 98 84 99 76 87 71 92 62 86 70 81 68 90 73 96 69 160 171 162 177 165 180 163 176 159 181 170 179 147 123 148 125 66 169 82 150 154 127 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 2.416562 1.903506 1.970179 1.926668 2.006045 1.714352 2.378400 1.888982 1.963184 1.925238 1.991841 1.726035 2.366176 1.913779 1.978107 1.903237 1.974257 1.726170 2.413906 1.915812 1.995497 1.913986 1.981199 1.714254 2.410122 1.998930 1.915990 1.986027 1.905625 1.714658 2.404361 1.980981 1.894207 2.006170 1.928060 1.715007 2.408072 1.975740 1.905731 1.999066 1.927367 1.714714 2.419356 1.995117 1.914275 1.980301 1.914622 1.714297 2.385562 1.906355 1.962288 1.922282 1.973867 1.725512 2.368594 1.892410 1.978277 1.909753 1.990871 1.726312 2.368168 1.902211 1.967909 1.919339 1.979393 1.726182 2.422252 1.892877 2.001361 1.907555 2.008620 1.715353 1.694848 1.698832 1.694980 1.695494 3.260103 3.264045 3.260924 3.266563 3.263192 3.267826 2.418160 1.904060 1.970742 1.927504 2.006872 1.714367 2.380090 1.889442 1.963566 1.925908 1.992512 1.726039 2.367967 1.914215 1.978495 1.903866 1.974916 1.726175 2.415464 1.916376 1.996128 1.914776 1.982041 1.714268 2.411818 1.999574 1.916576 1.986901 1.906384 1.714674 2.406191 1.981508 1.894792 2.007008 1.928890 1.715021 2.409870 1.976277 1.906282 1.999981 1.928178 1.714728 2.420907 1.995688 1.914887 1.981165 1.915422 1.714311 2.387270 1.906832 1.962641 1.922954 1.974537 1.725516 2.370372 1.892866 1.978643 1.910383 1.991529 1.726317 2.369935 1.902683 1.968299 1.919999 1.980049 1.726189 2.423847 1.893473 2.001955 1.908326 2.009495 1.715368 1.694851 1.698836 1.694985 1.695499 3.269516 3.273966 3.272946 3.275473 3.273347 3.276768 31 27 25 29 27 25 27 28 27 27 25 23 30 27 27 28 29 22 27 27 26 24 27 24 31 28 28 28 26 23 31 30 27 28 27 24 27 28 26 27 26 24 30 24 25 28 25 23 27 27 25 27 25 23 30 27 25 26 25 22 32 27 27 27 28 25 32 28 28 31 27 25 24 22 24 26 35 35 35 35 35 35 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 W W Mo Mo Mo Mo Mo W W W Mo 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 2.3882 2.5001 2.4894 2.3879 2.3809 2.3863 2.3875 2.3982 2.5076 2.4847 2.4855 2.3917 -1.1369 -1.1409 -1.1372 -1.1369 -0.9205 -0.8948 -0.9224 -0.9213 -0.9218 -0.9145 -0.9498 -0.9110 -0.9130 -0.8971 -0.8932 -0.9136 -0.9100 -0.9116 -0.8804 -0.9111 -0.9022 -0.9108 -0.8986 -0.9448 -0.9017 -0.8807 -0.8780 -0.9026 -0.6589 -0.7405 -0.7396 -0.6584 -0.6591 -0.6604 -0.6593 -0.6597 -0.7399 -0.7394 -0.7386 -0.6626 2.4860 1.9255 2.0833 2.0882 1.9252 1.9274 1.9242 1.9307 1.9369 2.0823 2.0869 2.0868 1.9214 1.9380 1.9362 1.9378 1.9376 1.9392 1.9441 1.9382 1.9393 1.9392 1.9409 1.9351 1.9418 1.9408 1.9434 1.9445 1.9405 1.9512 1.9496 1.9531 1.9512 1.9531 1.9512 1.9536 1.9490 1.9517 1.9526 1.9534 1.9525 1.9862 1.9742 1.9744 1.9861 1.9859 1.9857 1.9860 1.9860 1.9745 1.9744 1.9744 1.9856 0.8049 6.0595 6.0842 6.0896 6.0590 6.0599 6.0602 6.0600 6.0478 6.0848 6.0885 6.0893 6.0588 5.1595 5.1653 5.1601 5.1600 4.9528 4.9243 4.9558 4.9535 4.9540 4.9458 4.9844 4.9410 4.9442 4.9275 4.9223 4.9449 4.9280 4.9314 4.8989 4.9290 4.9188 4.9288 4.9144 4.9630 4.9196 4.8998 4.8961 4.9195 4.6364 4.7283 4.7271 4.6360 4.6369 4.6386 4.6371 4.6375 4.7273 4.7269 4.7261 4.6409 1.1575 3.6269 3.3034 3.3040 3.6278 3.6318 3.6293 3.6218 3.6170 3.2964 3.3110 3.3096 3.6282 0.0394 0.0394 0.0394 0.0393 0.0285 0.0263 0.0283 0.0285 0.0286 0.0279 0.0302 0.0282 0.0280 0.0261 0.0264 0.0281 0.0308 0.0307 0.0285 0.0308 0.0304 0.0308 0.0306 0.0328 0.0304 0.0283 0.0286 0.0306 0.0363 0.0381 0.0381 0.0363 0.0362 0.0362 0.0362 0.0362 0.0381 0.0381 0.0381 0.0361 10.5516 0.0000 14.0289 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 14.0289 14.0289 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 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 W W Mo Mo Mo Mo Mo W W W Mo 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 3.179255 2.518156 2.520001 3.179224 3.180108 3.179787 3.180794 3.180252 2.520296 2.517726 2.518752 3.177333 -1.176378 -1.138941 -1.176498 -1.177547 -1.036926 -1.163132 -1.046692 -1.041612 -1.037046 -1.057598 -0.939958 -1.058519 -1.061244 -1.166005 -1.161714 -1.057303 -1.007146 -1.012813 -1.123339 -1.004412 -1.020527 -1.002874 -1.021941 -0.909920 -1.025604 -1.123754 -1.121198 -1.021131 -0.922898 -0.763972 -0.762496 -0.922328 -0.923878 -0.924858 -0.924873 -0.925139 -0.763085 -0.762206 -0.761527 -0.927257 2.324606 2.385221 1.964814 1.963863 2.385788 2.385841 2.385507 2.378894 2.380891 1.958611 1.969356 1.968291 2.383560 -0.876173 -0.821533 -0.873731 -0.874661 -0.801688 -0.907533 -0.803601 -0.800615 -0.802280 -0.805576 -0.702558 -0.807735 -0.809683 -0.905403 -0.906261 -0.806430 -0.812591 -0.821289 -0.905382 -0.817408 -0.818912 -0.820187 -0.819343 -0.736380 -0.822530 -0.903061 -0.903117 -0.817134 -0.671163 -0.637145 -0.634047 -0.670472 -0.672521 -0.673476 -0.676969 -0.678642 -0.639843 -0.630326 -0.630585 -0.676238 1.683588 2.462605 2.058056 2.056216 2.463052 2.463236 2.461839 2.456178 2.458985 2.052566 2.061658 2.061109 2.460830 -0.891650 -0.853481 -0.889990 -0.891074 -0.880058 -0.982546 -0.880044 -0.878440 -0.879593 -0.888886 -0.785209 -0.886721 -0.886962 -0.982181 -0.980402 -0.887344 -0.848099 -0.854798 -0.940011 -0.855649 -0.859264 -0.858830 -0.855730 -0.773745 -0.852230 -0.938700 -0.935919 -0.854372 -0.629793 -0.602648 -0.596496 -0.629621 -0.632763 -0.632704 -0.636625 -0.642092 -0.605770 -0.592760 -0.592878 -0.637108 1.666856 0.91103812 -0.07944813 1.51211054 1.76713914 -0.21610247 0.17210780 -3.39277557 6.64928425 0.25399690 -6.43318179 -374.2196 413.1194 -121.8094 -355.3160 -10.3150 -448.5406 Jun12-2024 03:23:34 Nodes: 1 Procs: 1 Jun12-2024 03:23:38 Nodes: 1 Procs: 1 0 Jun12-2024 03:23:42 Nodes: 1 Procs: 1 Jun12-2024 03:23:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:23:48 Nodes: 1 Procs: 1 Jun12-2024 03:23:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 03:23:52 Nodes: 1 Procs: 1 Jun12-2024 03:23:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 03:24:01 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.41028239 -16.47713312 -16.48088723 -16.48248886 -16.48296908 -16.48331750 -16.48338030 -16.48342998 -16.48345044 -16.48347939 -16.48349216 -16.48351579 -16.48354056 -16.48356554 GEOMETRY CONVERGED