ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.41 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 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.81 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 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 01:45:33 Nodes: 1 Procs: 1 Apr16-2024 01:45:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:34 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.02 1.41 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 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 01:45:33 Nodes: 1 Procs: 1 Apr16-2024 01:45:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr16-2024 01:45:34 Nodes: 1 Procs: 1 Apr16-2024 01:45:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 01:45:38 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2613.3297610000045 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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 Apr16-2024 01:45:35 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr16-2024 01:45:32 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr16-2024 01:45:34 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr16-2024 01:45:31 1 1 Phosphorus TZP 1s t21.H ADF 2019 Apr16-2024 01:45:30 1 1 Hydrogen TZP 1 1 -16.14734116 0.23217532 0.00100000 F 0.10977684 0.00066667 F 0.23217532 0.10977684 0.13420235 0.01000000 F 0.05203603 0.00666667 F Cartesian 2613.3297610000045 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3.748744 0.188118 -3.785084 3.791888 -0.187934 -3.745155 -3.734953 0.185874 -3.752602 0.196340 -3.753460 -3.763851 -0.185513 3.753698 3.748912 0.197491 3.738111 3.765339 -0.217996 -3.737471 -0.001755 0.006953 -0.021335 -4.180401 4.008643 -1.059790 1 3 -3 0.088770 -2.542015 2.550636 Rho 0.4361414E+07 3,-3 2 3 -3 -0.076176 -2.557252 -2.537219 Rho 0.4361414E+07 3,-3 3 3 -3 -0.096400 2.549181 2.567549 Rho 0.4361414E+07 3,-3 4 3 -3 2.561199 -2.567665 0.119416 Rho 0.4361414E+07 3,-3 5 3 -3 2.524141 2.547402 -0.097430 Rho 0.4361414E+07 3,-3 6 3 -3 -2.491896 2.489929 0.076548 Rho 0.4361414E+07 3,-3 7 3 -3 -2.545623 -2.535536 -0.095409 Rho 0.4361414E+07 3,-3 8 3 -3 -2.556815 0.092767 2.563111 Rho 0.4361414E+07 3,-3 9 3 -3 2.544530 -0.090534 2.545975 Rho 0.4361414E+07 3,-3 10 3 -3 0.143281 2.527912 -2.606470 Rho 0.1240648E+06 3,-3 11 3 -3 -2.534155 -0.135826 -2.603679 Rho 0.1240648E+06 3,-3 12 3 -3 2.581915 0.063496 -2.537706 Rho 0.1240648E+06 3,-3 13 3 -3 0.873561 -0.871757 0.916260 Rho 0.3187809E+03 3,-3 14 3 -3 -0.885965 -0.907563 -0.912729 Rho 0.3187811E+03 3,-3 15 3 -3 0.905822 0.902418 -0.901655 Rho 0.3187871E+03 3,-3 16 3 -3 -0.932158 0.919257 0.852833 Rho 0.3187725E+03 3,-3 17 3 -3 -3.017716 -1.164581 1.172415 Rho 0.3188755E+03 3,-3 18 3 -3 3.036214 -1.191521 -1.171975 Rho 0.3189569E+03 3,-3 19 3 -3 -3.003773 1.164170 -1.120185 Rho 0.3190083E+03 3,-3 20 3 -3 3.008551 1.165652 1.155252 Rho 0.3188773E+03 3,-3 21 3 -3 1.159606 -1.160672 -3.022116 Rho 0.3189529E+03 3,-3 22 3 -3 1.174762 1.181257 3.027094 Rho 0.3188759E+03 3,-3 23 3 -3 -1.194216 1.183359 -3.011618 Rho 0.3190178E+03 3,-3 24 3 -3 -1.179531 -1.173610 3.027030 Rho 0.3188762E+03 3,-3 25 3 -3 -1.166007 2.990309 -1.126045 Rho 0.3190039E+03 3,-3 26 3 -3 -1.163701 -3.013298 1.160736 Rho 0.3188758E+03 3,-3 27 3 -3 1.151291 3.017341 1.171129 Rho 0.3188765E+03 3,-3 28 3 -3 1.186851 -3.017309 -1.172908 Rho 0.3188785E+03 3,-3 29 3 -3 3.381190 -1.492151 1.488822 Rho 0.3189751E+03 3,-3 30 3 -3 -3.378958 -1.485676 -1.499953 Rho 0.3190540E+03 3,-3 31 3 -3 3.366387 1.509886 -1.516820 Rho 0.3190589E+03 3,-3 32 3 -3 -3.360535 1.499156 1.498740 Rho 0.3190032E+03 3,-3 33 3 -3 1.496197 -1.492553 3.374752 Rho 0.3189769E+03 3,-3 34 3 -3 1.499698 1.498648 -3.419715 Rho 0.3191372E+03 3,-3 35 3 -3 -1.484157 1.480099 3.388109 Rho 0.3189702E+03 3,-3 36 3 -3 -1.496663 -1.507720 -3.417560 Rho 0.3190671E+03 3,-3 37 3 -3 -1.497046 -3.368405 -1.509793 Rho 0.3189848E+03 3,-3 38 3 -3 -1.509976 3.351315 1.494907 Rho 0.3190059E+03 3,-3 39 3 -3 1.492922 -3.380858 1.494527 Rho 0.3189754E+03 3,-3 40 3 -3 1.483204 3.388296 -1.504504 Rho 0.3190594E+03 3,-3 41 3 -3 -0.195670 -3.743589 3.746555 Rho 0.3194293E+03 3,-3 42 3 -3 0.213348 -3.752875 -3.738449 Rho 0.3194319E+03 3,-3 43 3 -3 -0.196716 3.741633 -3.760315 Rho 0.3195850E+03 3,-3 44 3 -3 0.175913 3.759815 3.755483 Rho 0.3194378E+03 3,-3 45 3 -3 3.757638 -3.767930 -0.163139 Rho 0.3194351E+03 3,-3 46 3 -3 3.721561 3.748744 0.188118 Rho 0.3194295E+03 3,-3 47 3 -3 -3.785084 3.791888 -0.187934 Rho 0.3186827E+03 3,-3 48 3 -3 -3.745155 -3.734953 0.185874 Rho 0.3194296E+03 3,-3 49 3 -3 -3.752602 0.196340 -3.753460 Rho 0.3195884E+03 3,-3 50 3 -3 -3.763851 -0.185513 3.753698 Rho 0.3194355E+03 3,-3 51 3 -3 3.748912 0.197491 3.738111 Rho 0.3194296E+03 3,-3 52 3 -3 3.765339 -0.217996 -3.737471 Rho 0.3195830E+03 3,-3 53 3 -3 -0.001755 0.006953 -0.021335 Rho 0.2439507E+04 3,-3 54 3 -3 -4.180401 4.008643 -1.059790 Rho 0.4428127E+00 3,-3 55 3 -1 -3.195776 -3.185679 0.056639 Rho 0.2561696E+00 |GRAD(Rho)| 0.4725799E-14 GRAD(Rho)x -0.4223943E-14 GRAD(Rho)y -0.1656986E-14 GRAD(Rho)z -0.1321317E-14 Laplacian 0.9196388E+00 (-1/4)Del**2(Rho)) -0.2299097E+00 Diamond 0.3513279E+01 Metallicity 0.7742393E+01 Ellipticity 0.1155984E-02 Gb(Abramov) 0.4499484E+00 Vb(Abramov) -0.6699870E+00 Hb(Abramov) -0.2200387E+00 Ex_ueg -0.1201587E+00 Ec_ueg -0.1556403E-01 Delta_ex -0.1130030E+00 Delta_ec 0.1987825E-01 Delta_et -0.2755962E+00 Pxc 0.7720283E+01 Qxc -0.5684753E+01 3,-1 56 3 +1 -1.690569 -0.540481 0.519933 Rho 0.8600945E-02 |GRAD(Rho)| 0.3587815E-12 GRAD(Rho)x 0.3269174E-12 GRAD(Rho)y 0.1106638E-12 GRAD(Rho)z -0.9799337E-13 Laplacian 0.3566404E-01 (-1/4)Del**2(Rho)) -0.8916010E-02 Diamond 0.1009792E-02 Metallicity 0.6976317E+00 Ellipticity -0.1440116E+01 Gb(Abramov) 0.6980689E-02 Vb(Abramov) -0.5045367E-02 Hb(Abramov) 0.1935321E-02 Ex_ueg -0.1301507E-02 Ec_ueg -0.3050224E-03 Delta_ex -0.1654201E-02 Delta_ec 0.5462783E-03 Delta_et -0.3697801E-02 Pxc 0.4266924E+01 Qxc -0.3028129E+01 3,+1 57 3 -1 -2.959770 -0.846470 -2.005892 Rho 0.1358608E+00 |GRAD(Rho)| 0.2448911E-15 GRAD(Rho)x -0.6263978E-16 GRAD(Rho)y -0.2311384E-15 GRAD(Rho)z 0.5121500E-16 Laplacian 0.5393644E+00 (-1/4)Del**2(Rho)) -0.1348411E+00 Diamond 0.9626666E+00 Metallicity 0.4587271E+01 Ellipticity 0.4184607E-01 Gb(Abramov) 0.1929862E+00 Vb(Abramov) -0.2511313E+00 Hb(Abramov) -0.5814508E-01 Ex_ueg -0.5158347E-01 Ec_ueg -0.7544640E-02 Delta_ex -0.5645047E-01 Delta_ec 0.1386260E-01 Delta_et -0.1815498E+00 Pxc 0.6837102E+01 Qxc -0.4072142E+01 3,-1 58 3 +1 -2.098167 -1.066938 -1.316198 Rho 0.2464724E-01 |GRAD(Rho)| 0.1560273E-13 GRAD(Rho)x 0.1447022E-13 GRAD(Rho)y 0.4538225E-14 GRAD(Rho)z 0.3669119E-14 Laplacian 0.9864217E-01 (-1/4)Del**2(Rho)) -0.2466054E-01 Diamond 0.1337994E-01 Metallicity 0.1458247E+01 Ellipticity -0.4552510E+01 Gb(Abramov) 0.2243389E-01 Vb(Abramov) -0.2020723E-01 Hb(Abramov) 0.2226654E-02 Ex_ueg -0.5297563E-02 Ec_ueg -0.1070970E-02 Delta_ex -0.6192417E-02 Delta_ec 0.1817858E-02 Delta_et -0.1595600E-01 Pxc 0.4946511E+01 Qxc -0.3406436E+01 3,+1 59 3 -1 -1.955482 2.927682 0.833071 Rho 0.1482740E+00 |GRAD(Rho)| 0.5001034E-15 GRAD(Rho)x -0.1629556E-15 GRAD(Rho)y -0.3279034E-15 GRAD(Rho)z -0.3406292E-15 Laplacian 0.5891604E+00 (-1/4)Del**2(Rho)) -0.1472901E+00 Diamond 0.1172291E+01 Metallicity 0.4858343E+01 Ellipticity 0.1965243E-01 Gb(Abramov) 0.2174577E+00 Vb(Abramov) -0.2876253E+00 Hb(Abramov) -0.7016761E-01 Ex_ueg -0.5796136E-01 Ec_ueg -0.8333120E-02 Delta_ex -0.6303846E-01 Delta_ec 0.1489810E-01 Delta_et -0.1977904E+00 Pxc 0.6955542E+01 Qxc -0.4231308E+01 3,-1 60 3 +1 -2.105695 1.004266 1.348525 Rho 0.2684419E-01 |GRAD(Rho)| 0.7583062E-16 GRAD(Rho)x -0.6050341E-16 GRAD(Rho)y -0.1388000E-16 GRAD(Rho)z 0.4355417E-16 Laplacian 0.1058834E+00 (-1/4)Del**2(Rho)) -0.2647085E-01 Diamond 0.1425365E-01 Metallicity 0.1566279E+01 Ellipticity -0.2904993E+01 Gb(Abramov) 0.2455736E-01 Vb(Abramov) -0.2264387E-01 Hb(Abramov) 0.1913495E-02 Ex_ueg -0.5936341E-02 Ec_ueg -0.1182007E-02 Delta_ex -0.6611235E-02 Delta_ec 0.1616758E-02 Delta_et -0.1455292E-01 Pxc 0.5022254E+01 Qxc -0.4089192E+01 3,+1 61 3 +3 -1.824745 1.818622 1.858858 Rho 0.1271310E-01 |GRAD(Rho)| 0.3461312E-16 GRAD(Rho)x -0.2306866E-16 GRAD(Rho)y 0.2554858E-16 GRAD(Rho)z -0.3629748E-17 Laplacian 0.5964502E-01 (-1/4)Del**2(Rho)) -0.1491125E-01 Diamond 0.1419146E-02 Metallicity 0.8000644E+00 Ellipticity -0.7039927E+00 Gb(Abramov) 0.1192916E-01 Vb(Abramov) -0.8947073E-02 Hb(Abramov) 0.2982091E-02 Ex_ueg -0.2191394E-02 Ec_ueg -0.4925876E-03 Delta_ex -0.2664427E-02 Delta_ec 0.2162957E-03 Delta_et -0.2059950E-02 Pxc 0.4448740E+01 Qxc -0.1231845E+02 3,+3 62 3 +3 1.134649 -1.106034 -1.097135 Rho 0.4910579E-02 |GRAD(Rho)| 0.1232614E-12 GRAD(Rho)x 0.8528387E-13 GRAD(Rho)y -0.8623244E-13 GRAD(Rho)z 0.2199984E-13 Laplacian 0.2001650E-01 (-1/4)Del**2(Rho)) -0.5004125E-02 Diamond 0.1458342E-03 Metallicity 0.4884043E+00 Ellipticity -0.4281754E-01 Gb(Abramov) 0.3743422E-02 Vb(Abramov) -0.2482720E-02 Hb(Abramov) 0.1260702E-02 Ex_ueg -0.6164464E-03 Ec_ueg -0.1430667E-03 Delta_ex -0.6971048E-03 Delta_ec 0.1042481E-03 Delta_et -0.7761939E-03 Pxc 0.4308805E+01 Qxc -0.6686977E+01 3,+3 63 3 +1 -1.751995 1.741328 -1.751684 Rho 0.1234126E-01 |GRAD(Rho)| 0.3183124E-13 GRAD(Rho)x 0.1523317E-13 GRAD(Rho)y 0.2609313E-13 GRAD(Rho)z 0.1001633E-13 Laplacian 0.6239999E-01 (-1/4)Del**2(Rho)) -0.1560000E-01 Diamond 0.2635871E-02 Metallicity 0.7278263E+00 Ellipticity -0.1276546E+01 Gb(Abramov) 0.1229235E-01 Vb(Abramov) -0.8984695E-02 Hb(Abramov) 0.3307651E-02 Ex_ueg -0.2106352E-02 Ec_ueg -0.4753455E-03 Delta_ex -0.3100454E-02 Delta_ec 0.8285612E-03 Delta_et -0.6241443E-02 Pxc 0.4431202E+01 Qxc -0.3741974E+01 3,+1 64 3 +3 -2.346986 -0.061502 -0.046665 Rho 0.4536636E-02 |GRAD(Rho)| 0.1072306E-16 GRAD(Rho)x 0.1478092E-17 GRAD(Rho)y -0.9139509E-17 GRAD(Rho)z 0.5410058E-17 Laplacian 0.1913876E-01 (-1/4)Del**2(Rho)) -0.4784691E-02 Diamond 0.1753697E-03 Metallicity 0.4476333E+00 Ellipticity -0.3949088E+00 Gb(Abramov) 0.3546759E-02 Vb(Abramov) -0.2308826E-02 Hb(Abramov) 0.1237932E-02 Ex_ueg -0.5546643E-03 Ec_ueg -0.1270272E-03 Delta_ex -0.7053810E-03 Delta_ec 0.1944805E-03 Delta_et -0.1192367E-02 Pxc 0.4366502E+01 Qxc -0.3627000E+01 3,+3 65 3 +1 -1.983068 1.976334 2.011163 Rho 0.1298231E-01 |GRAD(Rho)| 0.1931087E-16 GRAD(Rho)x -0.9944604E-17 GRAD(Rho)y -0.1348638E-16 GRAD(Rho)z 0.9598551E-17 Laplacian 0.6278501E-01 (-1/4)Del**2(Rho)) -0.1569625E-01 Diamond 0.2328018E-02 Metallicity 0.7870651E+00 Ellipticity -0.1151245E+01 Gb(Abramov) 0.1252316E-01 Vb(Abramov) -0.9350075E-02 Hb(Abramov) 0.3173089E-02 Ex_ueg -0.2253484E-02 Ec_ueg -0.5051038E-03 Delta_ex -0.3027585E-02 Delta_ec 0.5944591E-03 Delta_et -0.4705732E-02 Pxc 0.4461428E+01 Qxc -0.5093008E+01 3,+1 66 3 -1 -2.746980 1.773407 -0.564751 Rho 0.1729856E+00 |GRAD(Rho)| 0.7388568E-15 GRAD(Rho)x -0.2104572E-15 GRAD(Rho)y 0.6152576E-15 GRAD(Rho)z -0.3508207E-15 Laplacian 0.7267185E+00 (-1/4)Del**2(Rho)) -0.1816796E+00 Diamond 0.1731055E+01 Metallicity 0.5092489E+01 Ellipticity 0.1827776E-01 Gb(Abramov) 0.2753200E+00 Vb(Abramov) -0.3689603E+00 Hb(Abramov) -0.9364036E-01 Ex_ueg -0.7118659E-01 Ec_ueg -0.9930816E-02 Delta_ex -0.8071555E-01 Delta_ec 0.1753768E-01 Delta_et -0.2370111E+00 Pxc 0.7168252E+01 Qxc -0.4602409E+01 3,-1 67 3 +1 1.694802 -0.558558 -0.537325 Rho 0.8211803E-02 |GRAD(Rho)| 0.2618801E-16 GRAD(Rho)x -0.1607801E-16 GRAD(Rho)y 0.7681836E-18 GRAD(Rho)z 0.2065719E-16 Laplacian 0.3364714E-01 (-1/4)Del**2(Rho)) -0.8411786E-02 Diamond 0.9153858E-03 Metallicity 0.6845354E+00 Ellipticity -0.1460126E+01 Gb(Abramov) 0.6567551E-02 Vb(Abramov) -0.4723317E-02 Hb(Abramov) 0.1844234E-02 Ex_ueg -0.1223591E-02 Ec_ueg -0.2876447E-03 Delta_ex -0.1552780E-02 Delta_ec 0.5332436E-03 Delta_et -0.3552370E-02 Pxc 0.4253829E+01 Qxc -0.2911953E+01 3,+1 68 3 -1 -2.933310 1.948941 0.834312 Rho 0.1446045E+00 |GRAD(Rho)| 0.2761169E-15 GRAD(Rho)x 0.8127451E-16 GRAD(Rho)y 0.2632578E-15 GRAD(Rho)z -0.1817394E-16 Laplacian 0.5720403E+00 (-1/4)Del**2(Rho)) -0.1430101E+00 Diamond 0.1105436E+01 Metallicity 0.4799063E+01 Ellipticity 0.1957487E-01 Gb(Abramov) 0.2097258E+00 Vb(Abramov) -0.2764415E+00 Hb(Abramov) -0.6671570E-01 Ex_ueg -0.5605671E-01 Ec_ueg -0.8099026E-02 Delta_ex -0.6084155E-01 Delta_ec 0.1457308E-01 Delta_et -0.1928289E+00 Pxc 0.6921414E+01 Qxc -0.4174928E+01 3,-1 69 3 +3 0.005274 0.028322 -2.375368 Rho 0.4319291E-02 |GRAD(Rho)| 0.3316298E-15 GRAD(Rho)x -0.1553472E-15 GRAD(Rho)y -0.1319029E-15 GRAD(Rho)z 0.2616241E-15 Laplacian 0.1774055E-01 (-1/4)Del**2(Rho)) -0.4435138E-02 Diamond 0.1591683E-03 Metallicity 0.4449728E+00 Ellipticity -0.3289770E+00 Gb(Abramov) 0.3285678E-02 Vb(Abramov) -0.2136218E-02 Hb(Abramov) 0.1149460E-02 Ex_ueg -0.5195193E-03 Ec_ueg -0.1177378E-03 Delta_ex -0.6538241E-03 Delta_ec 0.1945315E-03 Delta_et -0.1160172E-02 Pxc 0.4412512E+01 Qxc -0.3361019E+01 3,+3 70 3 +1 -1.249536 -1.119068 -2.134510 Rho 0.2418556E-01 |GRAD(Rho)| 0.3962883E-16 GRAD(Rho)x 0.1809219E-16 GRAD(Rho)y 0.3811773E-17 GRAD(Rho)z 0.3505121E-16 Laplacian 0.9654660E-01 (-1/4)Del**2(Rho)) -0.2413665E-01 Diamond 0.1304260E-01 Metallicity 0.1443676E+01 Ellipticity -0.5344125E+01 Gb(Abramov) 0.2189868E-01 Vb(Abramov) -0.1966072E-01 Hb(Abramov) 0.2237967E-02 Ex_ueg -0.5165668E-02 Ec_ueg -0.1047796E-02 Delta_ex -0.6062872E-02 Delta_ec 0.1836544E-02 Delta_et -0.1602985E-01 Pxc 0.4930032E+01 Qxc -0.3301239E+01 3,+1 71 3 -1 -1.679969 -1.685627 -0.495548 Rho 0.3994421E-01 |GRAD(Rho)| 0.1799291E-14 GRAD(Rho)x -0.1243228E-14 GRAD(Rho)y -0.1169087E-14 GRAD(Rho)z 0.5701496E-15 Laplacian 0.1584322E+00 (-1/4)Del**2(Rho)) -0.3960806E-01 Diamond 0.5828716E-01 Metallicity 0.2030140E+01 Ellipticity 0.1094193E-01 Gb(Abramov) 0.3980703E-01 Vb(Abramov) -0.4000599E-01 Hb(Abramov) -0.1989676E-03 Ex_ueg -0.1008456E-01 Ec_ueg -0.1867075E-02 Delta_ex -0.1227762E-01 Delta_ec 0.4634921E-02 Delta_et -0.4603518E-01 Pxc 0.5401260E+01 Qxc -0.2648938E+01 3,-1 72 3 +3 -1.110840 -1.086456 1.110260 Rho 0.4923418E-02 |GRAD(Rho)| 0.7220127E-17 GRAD(Rho)x -0.2188744E-17 GRAD(Rho)y -0.6222251E-17 GRAD(Rho)z 0.2936535E-17 Laplacian 0.2020571E-01 (-1/4)Del**2(Rho)) -0.5051427E-02 Diamond 0.1479542E-03 Metallicity 0.4859410E+00 Ellipticity -0.7446834E-01 Gb(Abramov) 0.3776734E-02 Vb(Abramov) -0.2502041E-02 Hb(Abramov) 0.1274693E-02 Ex_ueg -0.6185963E-03 Ec_ueg -0.1436186E-03 Delta_ex -0.7044014E-03 Delta_ec 0.1055976E-03 Delta_et -0.7857380E-03 Pxc 0.4307214E+01 Qxc -0.6670620E+01 3,+3 73 3 +1 1.768211 -1.751412 -1.764807 Rho 0.1225237E-01 |GRAD(Rho)| 0.2295137E-16 GRAD(Rho)x 0.1630227E-17 GRAD(Rho)y -0.1371019E-16 GRAD(Rho)z 0.1833408E-16 Laplacian 0.6195275E-01 (-1/4)Del**2(Rho)) -0.1548819E-01 Diamond 0.2556635E-02 Metallicity 0.7243016E+00 Ellipticity -0.1246974E+01 Gb(Abramov) 0.1219515E-01 Vb(Abramov) -0.8902103E-02 Hb(Abramov) 0.3293043E-02 Ex_ueg -0.2086149E-02 Ec_ueg -0.4712319E-03 Delta_ex -0.3062672E-02 Delta_ec 0.8052947E-03 Delta_et -0.6068281E-02 Pxc 0.4427011E+01 Qxc -0.3803170E+01 3,+1 74 3 +1 1.223017 -2.094450 1.134918 Rho 0.2436744E-01 |GRAD(Rho)| 0.3845683E-16 GRAD(Rho)x -0.1943192E-16 GRAD(Rho)y 0.3314774E-16 GRAD(Rho)z 0.1598736E-17 Laplacian 0.9696904E-01 (-1/4)Del**2(Rho)) -0.2424226E-01 Diamond 0.1329699E-01 Metallicity 0.1455448E+01 Ellipticity -0.5919422E+01 Gb(Abramov) 0.2204206E-01 Vb(Abramov) -0.1984187E-01 Hb(Abramov) 0.2200196E-02 Ex_ueg -0.5217530E-02 Ec_ueg -0.1056919E-02 Delta_ex -0.6108304E-02 Delta_ec 0.1856994E-02 Delta_et -0.1623656E-01 Pxc 0.4936548E+01 Qxc -0.3289351E+01 3,+1 75 3 +3 -1.835935 -1.825469 -1.862742 Rho 0.1220327E-01 |GRAD(Rho)| 0.3222150E-16 GRAD(Rho)x -0.2607931E-17 GRAD(Rho)y 0.1147066E-16 GRAD(Rho)z 0.2999747E-16 Laplacian 0.5579397E-01 (-1/4)Del**2(Rho)) -0.1394849E-01 Diamond 0.1233936E-02 Metallicity 0.7988888E+00 Ellipticity -0.7018293E+00 Gb(Abramov) 0.1115621E-01 Vb(Abramov) -0.8363929E-02 Hb(Abramov) 0.2792282E-02 Ex_ueg -0.2075009E-02 Ec_ueg -0.4689608E-03 Delta_ex -0.2456915E-02 Delta_ec 0.1925248E-03 Delta_et -0.1854444E-02 Pxc 0.4424697E+01 Qxc -0.1276155E+02 3,+3 76 3 -1 -1.678774 -0.513020 -1.724604 Rho 0.3616503E-01 |GRAD(Rho)| 0.1193094E-16 GRAD(Rho)x -0.6807710E-17 GRAD(Rho)y 0.1296913E-17 GRAD(Rho)z -0.9711868E-17 Laplacian 0.1506811E+00 (-1/4)Del**2(Rho)) -0.3767027E-01 Diamond 0.5038899E-01 Metallicity 0.1808711E+01 Ellipticity 0.1351077E-01 Gb(Abramov) 0.3646929E-01 Vb(Abramov) -0.3526830E-01 Hb(Abramov) 0.1200985E-02 Ex_ueg -0.8832904E-02 Ec_ueg -0.1665776E-02 Delta_ex -0.1152320E-01 Delta_ec 0.4643579E-02 Delta_et -0.4491177E-01 Pxc 0.5302577E+01 Qxc -0.2481535E+01 3,-1 77 3 -1 -0.379117 0.376610 0.329415 Rho 0.1972657E+00 |GRAD(Rho)| 0.2091176E-15 GRAD(Rho)x 0.1912673E-16 GRAD(Rho)y 0.1813966E-15 GRAD(Rho)z 0.1022722E-15 Laplacian 0.6713361E+00 (-1/4)Del**2(Rho)) -0.1678340E+00 Diamond 0.2114667E+01 Metallicity 0.6861608E+01 Ellipticity 0.1287421E-01 Gb(Abramov) 0.3038246E+00 Vb(Abramov) -0.4398151E+00 Hb(Abramov) -0.1359905E+00 Ex_ueg -0.8481134E-01 Ec_ueg -0.1153525E-01 Delta_ex -0.7876003E-01 Delta_ec 0.1863201E-01 Delta_et -0.2652190E+00 Pxc 0.7352365E+01 Qxc -0.4227137E+01 3,-1 78 3 +1 -0.587569 -0.500645 1.680936 Rho 0.8314857E-02 |GRAD(Rho)| 0.1104605E-16 GRAD(Rho)x 0.2561627E-17 GRAD(Rho)y 0.4858885E-17 GRAD(Rho)z -0.9583555E-17 Laplacian 0.3447448E-01 (-1/4)Del**2(Rho)) -0.8618621E-02 Diamond 0.9304689E-03 Metallicity 0.6821398E+00 Ellipticity -0.1424375E+01 Gb(Abramov) 0.6725598E-02 Vb(Abramov) -0.4832575E-02 Hb(Abramov) 0.1893023E-02 Ex_ueg -0.1244108E-02 Ec_ueg -0.2922402E-03 Delta_ex -0.1584805E-02 Delta_ec 0.5266084E-03 Delta_et -0.3534185E-02 Pxc 0.4257143E+01 Qxc -0.3009457E+01 3,+1 79 3 +1 -2.918367 -0.165001 -0.153565 Rho 0.5154514E-02 |GRAD(Rho)| 0.1063653E-16 GRAD(Rho)x 0.3004841E-18 GRAD(Rho)y -0.4590340E-17 GRAD(Rho)z 0.9590320E-17 Laplacian 0.2171929E-01 (-1/4)Del**2(Rho)) -0.5429822E-02 Diamond 0.5061491E-03 Metallicity 0.4879931E+00 Ellipticity -0.2272143E+01 Gb(Abramov) 0.4061501E-02 Vb(Abramov) -0.2693179E-02 Hb(Abramov) 0.1368321E-02 Ex_ueg -0.6576104E-03 Ec_ueg -0.1535682E-03 Delta_ex -0.1067065E-02 Delta_ec 0.6496967E-03 Delta_et -0.3574575E-02 Pxc 0.4282204E+01 Qxc -0.1642405E+01 3,+1 80 3 +1 0.092693 0.116460 -2.900157 Rho 0.4797045E-02 |GRAD(Rho)| 0.1908165E-15 GRAD(Rho)x 0.1247288E-15 GRAD(Rho)y 0.1442576E-15 GRAD(Rho)z -0.6587697E-17 Laplacian 0.1963322E-01 (-1/4)Del**2(Rho)) -0.4908305E-02 Diamond 0.4527695E-03 Metallicity 0.4788997E+00 Ellipticity -0.3952852E+01 Gb(Abramov) 0.3663968E-02 Vb(Abramov) -0.2419630E-02 Hb(Abramov) 0.1244337E-02 Ex_ueg -0.5975167E-03 Ec_ueg -0.1381893E-03 Delta_ex -0.9877522E-03 Delta_ec 0.6527939E-03 Delta_et -0.3487323E-02 Pxc 0.4323901E+01 Qxc -0.1513115E+01 3,+1 81 3 +1 -1.686733 0.484392 -0.595674 Rho 0.9060217E-02 |GRAD(Rho)| 0.6293798E-14 GRAD(Rho)x 0.6148143E-15 GRAD(Rho)y 0.4142071E-14 GRAD(Rho)z 0.4698631E-14 Laplacian 0.3889669E-01 (-1/4)Del**2(Rho)) -0.9724171E-02 Diamond 0.1212397E-02 Metallicity 0.6975868E+00 Ellipticity -0.1449496E+01 Gb(Abramov) 0.7613357E-02 Vb(Abramov) -0.5502542E-02 Hb(Abramov) 0.2110815E-02 Ex_ueg -0.1394986E-02 Ec_ueg -0.3256182E-03 Delta_ex -0.1840459E-02 Delta_ec 0.6184803E-03 Delta_et -0.4227394E-02 Pxc 0.4284115E+01 Qxc -0.2975777E+01 3,+1 82 3 +1 0.520258 1.691055 0.535830 Rho 0.8736445E-02 |GRAD(Rho)| 0.2950639E-16 GRAD(Rho)x 0.9444021E-17 GRAD(Rho)y 0.2334506E-16 GRAD(Rho)z 0.1537680E-16 Laplacian 0.3621975E-01 (-1/4)Del**2(Rho)) -0.9054937E-02 Diamond 0.1046428E-02 Metallicity 0.7050593E+00 Ellipticity -0.1445347E+01 Gb(Abramov) 0.7100669E-02 Vb(Abramov) -0.5146402E-02 Hb(Abramov) 0.1954268E-02 Ex_ueg -0.1328918E-02 Ec_ueg -0.3110892E-03 Delta_ex -0.1686032E-02 Delta_ec 0.5538801E-03 Delta_et -0.3765351E-02 Pxc 0.4271822E+01 Qxc -0.3044038E+01 3,+1 83 3 +1 -0.540248 -1.679043 0.535624 Rho 0.8753944E-02 |GRAD(Rho)| 0.1863917E-12 GRAD(Rho)x -0.1377351E-12 GRAD(Rho)y -0.1235449E-12 GRAD(Rho)z 0.2252911E-13 Laplacian 0.3656231E-01 (-1/4)Del**2(Rho)) -0.9140576E-02 Diamond 0.1056568E-02 Metallicity 0.7007867E+00 Ellipticity -0.1435104E+01 Gb(Abramov) 0.7161317E-02 Vb(Abramov) -0.5182057E-02 Hb(Abramov) 0.1979260E-02 Ex_ueg -0.1332468E-02 Ec_ueg -0.3118732E-03 Delta_ex -0.1701668E-02 Delta_ec 0.5570453E-03 Delta_et -0.3790398E-02 Pxc 0.4272466E+01 Qxc -0.3054811E+01 3,+1 84 3 +3 -0.050059 0.051105 2.351160 Rho 0.4242336E-02 |GRAD(Rho)| 0.6398710E-17 GRAD(Rho)x -0.3214851E-17 GRAD(Rho)y 0.3597506E-17 GRAD(Rho)z -0.4203114E-17 Laplacian 0.1748726E-01 (-1/4)Del**2(Rho)) -0.4371815E-02 Diamond 0.1445055E-03 Metallicity 0.4380933E+00 Ellipticity -0.2193723E+00 Gb(Abramov) 0.3233754E-02 Vb(Abramov) -0.2095693E-02 Hb(Abramov) 0.1138061E-02 Ex_ueg -0.5072147E-03 Ec_ueg -0.1144546E-03 Delta_ex -0.6316690E-03 Delta_ec 0.1739677E-03 Delta_et -0.1053777E-02 Pxc 0.4431581E+01 Qxc -0.3630955E+01 3,+3 85 3 +1 0.016304 -0.015016 2.908127 Rho 0.4808557E-02 |GRAD(Rho)| 0.4620460E-17 GRAD(Rho)x -0.4270013E-17 GRAD(Rho)y -0.9908799E-18 GRAD(Rho)z 0.1460751E-17 Laplacian 0.1965408E-01 (-1/4)Del**2(Rho)) -0.4913520E-02 Diamond 0.4779154E-03 Metallicity 0.4803064E+00 Ellipticity -0.8502591E+01 Gb(Abramov) 0.3669013E-02 Vb(Abramov) -0.2424505E-02 Hb(Abramov) 0.1244508E-02 Ex_ueg -0.5994295E-03 Ec_ueg -0.1386836E-03 Delta_ex -0.1011944E-02 Delta_ec 0.6940101E-03 Delta_et -0.3694613E-02 Pxc 0.4322282E+01 Qxc -0.1458111E+01 3,+1 86 3 +1 1.062206 2.108850 -1.317867 Rho 0.2487457E-01 |GRAD(Rho)| 0.2324980E-16 GRAD(Rho)x 0.1118597E-16 GRAD(Rho)y -0.1737421E-16 GRAD(Rho)z 0.1065666E-16 Laplacian 0.9964620E-01 (-1/4)Del**2(Rho)) -0.2491155E-01 Diamond 0.1349846E-01 Metallicity 0.1465813E+01 Ellipticity -0.4169347E+01 Gb(Abramov) 0.2269364E-01 Vb(Abramov) -0.2047574E-01 Hb(Abramov) 0.2217906E-02 Ex_ueg -0.5362812E-02 Ec_ueg -0.1082401E-02 Delta_ex -0.6249900E-02 Delta_ec 0.1799411E-02 Delta_et -0.1583866E-01 Pxc 0.4954551E+01 Qxc -0.3473302E+01 3,+1 87 3 +1 0.556465 -0.526781 -1.691260 Rho 0.8808499E-02 |GRAD(Rho)| 0.9691304E-14 GRAD(Rho)x 0.4002002E-14 GRAD(Rho)y 0.8185881E-14 GRAD(Rho)z 0.3301017E-14 Laplacian 0.3661007E-01 (-1/4)Del**2(Rho)) -0.9152519E-02 Diamond 0.1079888E-02 Metallicity 0.7071568E+00 Ellipticity -0.1456724E+01 Gb(Abramov) 0.7180390E-02 Vb(Abramov) -0.5208261E-02 Hb(Abramov) 0.1972129E-02 Ex_ueg -0.1343551E-02 Ec_ueg -0.3143186E-03 Delta_ex -0.1712192E-02 Delta_ec 0.5678640E-03 Delta_et -0.3862792E-02 Pxc 0.4274489E+01 Qxc -0.3015145E+01 3,+1 88 3 -1 -0.359738 -0.363483 -0.382375 Rho 0.2040158E+00 |GRAD(Rho)| 0.3238029E-15 GRAD(Rho)x -0.2786077E-15 GRAD(Rho)y -0.1165605E-15 GRAD(Rho)z -0.1167894E-15 Laplacian 0.7411001E+00 (-1/4)Del**2(Rho)) -0.1852750E+00 Diamond 0.2414909E+01 Metallicity 0.6574193E+01 Ellipticity 0.3593221E-02 Gb(Abramov) 0.3265223E+00 Vb(Abramov) -0.4677696E+00 Hb(Abramov) -0.1412473E+00 Ex_ueg -0.8870267E-01 Ec_ueg -0.1198720E-01 Delta_ex -0.8756723E-01 Delta_ec 0.2020748E-01 Delta_et -0.2883612E+00 Pxc 0.7399781E+01 Qxc -0.4333407E+01 3,-1 89 3 +1 1.988356 1.994482 -2.027641 Rho 0.1227236E-01 |GRAD(Rho)| 0.1446952E-16 GRAD(Rho)x 0.1095138E-17 GRAD(Rho)y 0.1021762E-16 GRAD(Rho)z 0.1018665E-16 Laplacian 0.5780452E-01 (-1/4)Del**2(Rho)) -0.1445113E-01 Diamond 0.2001981E-02 Metallicity 0.7783912E+00 Ellipticity -0.1168313E+01 Gb(Abramov) 0.1150886E-01 Vb(Abramov) -0.8566587E-02 Hb(Abramov) 0.2942271E-02 Ex_ueg -0.2090687E-02 Ec_ueg -0.4721564E-03 Delta_ex -0.2749789E-02 Delta_ec 0.5566861E-03 Delta_et -0.4344156E-02 Pxc 0.4427953E+01 Qxc -0.4939567E+01 3,+1 90 3 +1 0.165621 2.907715 -0.163530 Rho 0.5209209E-02 |GRAD(Rho)| 0.4813127E-17 GRAD(Rho)x 0.2019530E-17 GRAD(Rho)y -0.4160391E-17 GRAD(Rho)z -0.1333730E-17 Laplacian 0.2192764E-01 (-1/4)Del**2(Rho)) -0.5481911E-02 Diamond 0.5101249E-03 Metallicity 0.4919347E+00 Ellipticity -0.2206730E+01 Gb(Abramov) 0.4104064E-02 Vb(Abramov) -0.2726218E-02 Hb(Abramov) 0.1377847E-02 Ex_ueg -0.6669307E-03 Ec_ueg -0.1559270E-03 Delta_ex -0.1072351E-02 Delta_ec 0.6430790E-03 Delta_et -0.3554773E-02 Pxc 0.4277199E+01 Qxc -0.1667527E+01 3,+1 91 3 -1 -0.508913 1.700775 1.675855 Rho 0.3634932E-01 |GRAD(Rho)| 0.3609534E-14 GRAD(Rho)x -0.2417472E-14 GRAD(Rho)y -0.1391870E-14 GRAD(Rho)z -0.2290690E-14 Laplacian 0.1418734E+00 (-1/4)Del**2(Rho)) -0.3546834E-01 Diamond 0.4540862E-01 Metallicity 0.1937342E+01 Ellipticity 0.1245804E-01 Gb(Abramov) 0.3509794E-01 Vb(Abramov) -0.3472754E-01 Hb(Abramov) 0.3703976E-03 Ex_ueg -0.8892970E-02 Ec_ueg -0.1675528E-02 Delta_ex -0.1070725E-01 Delta_ec 0.4093748E-02 Delta_et -0.3963474E-01 Pxc 0.5307562E+01 Qxc -0.2615512E+01 3,-1 92 3 +1 1.675939 0.540664 0.540890 Rho 0.8905486E-02 |GRAD(Rho)| 0.1728241E-16 GRAD(Rho)x -0.5447963E-17 GRAD(Rho)y -0.1601217E-16 GRAD(Rho)z -0.3551307E-17 Laplacian 0.3725411E-01 (-1/4)Del**2(Rho)) -0.9313529E-02 Diamond 0.1098987E-02 Metallicity 0.7077312E+00 Ellipticity -0.1437341E+01 Gb(Abramov) 0.7307598E-02 Vb(Abramov) -0.5301668E-02 Hb(Abramov) 0.2005930E-02 Ex_ueg -0.1363312E-02 Ec_ueg -0.3186690E-03 Delta_ex -0.1740024E-02 Delta_ec 0.5652571E-03 Delta_et -0.3865330E-02 Pxc 0.4278144E+01 Qxc -0.3078287E+01 3,+1 93 3 -1 0.848272 2.962350 -2.009480 Rho 0.1363008E+00 |GRAD(Rho)| 0.3386129E-15 GRAD(Rho)x -0.2233456E-16 GRAD(Rho)y -0.3333718E-15 GRAD(Rho)z -0.5498260E-16 Laplacian 0.5393292E+00 (-1/4)Del**2(Rho)) -0.1348323E+00 Diamond 0.9680162E+00 Metallicity 0.4612361E+01 Ellipticity 0.4093211E-01 Gb(Abramov) 0.1935374E+00 Vb(Abramov) -0.2522425E+00 Hb(Abramov) -0.5870511E-01 Ex_ueg -0.5180635E-01 Ec_ueg -0.7572423E-02 Delta_ex -0.5651004E-01 Delta_ec 0.1388447E-01 Delta_et -0.1819941E+00 Pxc 0.6841450E+01 Qxc -0.4070020E+01 3,-1 94 3 +3 0.039440 2.345309 -0.028711 Rho 0.4620426E-02 |GRAD(Rho)| 0.7052129E-17 GRAD(Rho)x -0.2151024E-17 GRAD(Rho)y -0.6101431E-17 GRAD(Rho)z 0.2806806E-17 Laplacian 0.1944917E-01 (-1/4)Del**2(Rho)) -0.4862292E-02 Diamond 0.1837267E-03 Metallicity 0.4541320E+00 Ellipticity -0.4034474E+00 Gb(Abramov) 0.3609549E-02 Vb(Abramov) -0.2356805E-02 Hb(Abramov) 0.1252744E-02 Ex_ueg -0.5683656E-03 Ec_ueg -0.1306149E-03 Delta_ex -0.7212005E-03 Delta_ec 0.1995401E-03 Delta_et -0.1226517E-02 Pxc 0.4351459E+01 Qxc -0.3614314E+01 3,+3 95 3 +3 0.025272 -2.352678 0.006682 Rho 0.4376993E-02 |GRAD(Rho)| 0.6296777E-17 GRAD(Rho)x -0.3175687E-17 GRAD(Rho)y -0.3437408E-17 GRAD(Rho)z 0.4212914E-17 Laplacian 0.1811018E-01 (-1/4)Del**2(Rho)) -0.4527545E-02 Diamond 0.1595464E-03 Metallicity 0.4456394E+00 Ellipticity -0.2787151E+00 Gb(Abramov) 0.3354639E-02 Vb(Abramov) -0.2181733E-02 Hb(Abramov) 0.1172906E-02 Ex_ueg -0.5287937E-03 Ec_ueg -0.1202016E-03 Delta_ex -0.6631183E-03 Delta_ec 0.1869344E-03 Delta_et -0.1132306E-02 Pxc 0.4399223E+01 Qxc -0.3547332E+01 3,+3 96 3 +3 1.827566 1.827055 -1.868944 Rho 0.1198466E-01 |GRAD(Rho)| 0.2717344E-11 GRAD(Rho)x 0.2275249E-11 GRAD(Rho)y -0.1018522E-11 GRAD(Rho)z 0.1081580E-11 Laplacian 0.5459435E-01 (-1/4)Del**2(Rho)) -0.1364859E-01 Diamond 0.1172637E-02 Metallicity 0.7922126E+00 Ellipticity -0.6626957E+00 Gb(Abramov) 0.1090115E-01 Vb(Abramov) -0.8153723E-02 Hb(Abramov) 0.2747432E-02 Ex_ueg -0.2025596E-02 Ec_ueg -0.4588609E-03 Delta_ex -0.2389954E-02 Delta_ec 0.1860565E-03 Delta_et -0.1796537E-02 Pxc 0.4414399E+01 Qxc -0.1284531E+02 3,+3 97 3 +1 2.902495 0.088587 -0.113246 Rho 0.4880872E-02 |GRAD(Rho)| 0.1021059E-16 GRAD(Rho)x 0.1752177E-18 GRAD(Rho)y 0.7972457E-17 GRAD(Rho)z 0.6376943E-17 Laplacian 0.2011060E-01 (-1/4)Del**2(Rho)) -0.5027650E-02 Diamond 0.4806871E-03 Metallicity 0.4812275E+00 Ellipticity -0.4366531E+01 Gb(Abramov) 0.3755007E-02 Vb(Abramov) -0.2482364E-02 Hb(Abramov) 0.1272643E-02 Ex_ueg -0.6114790E-03 Ec_ueg -0.1417898E-03 Delta_ex -0.1020815E-02 Delta_ec 0.6789173E-03 Delta_et -0.3641976E-02 Pxc 0.4312573E+01 Qxc -0.1503592E+01 3,+1 98 3 -1 1.678240 1.688388 -0.489758 Rho 0.4176183E-01 |GRAD(Rho)| 0.2173425E-15 GRAD(Rho)x 0.1636948E-15 GRAD(Rho)y 0.1429747E-15 GRAD(Rho)z 0.7348011E-19 Laplacian 0.1668066E+00 (-1/4)Del**2(Rho)) -0.4170164E-01 Diamond 0.6555741E-01 Metallicity 0.2076662E+01 Ellipticity 0.9506880E-02 Gb(Abramov) 0.4223446E-01 Vb(Abramov) -0.4276729E-01 Hb(Abramov) -0.5328231E-03 Ex_ueg -0.1070100E-01 Ec_ueg -0.1964833E-02 Delta_ex -0.1309044E-01 Delta_ec 0.4913727E-02 Delta_et -0.4939406E-01 Pxc 0.5446266E+01 Qxc -0.2664054E+01 3,-1 99 3 +1 1.750200 1.756504 1.753471 Rho 0.1240207E-01 |GRAD(Rho)| 0.5452782E-16 GRAD(Rho)x -0.4343546E-16 GRAD(Rho)y 0.3251746E-16 GRAD(Rho)z 0.5409133E-17 Laplacian 0.6274060E-01 (-1/4)Del**2(Rho)) -0.1568515E-01 Diamond 0.2619861E-02 Metallicity 0.7298293E+00 Ellipticity -0.1242102E+01 Gb(Abramov) 0.1236468E-01 Vb(Abramov) -0.9044211E-02 Hb(Abramov) 0.3320470E-02 Ex_ueg -0.2120202E-02 Ec_ueg -0.4781615E-03 Delta_ex -0.3108055E-02 Delta_ec 0.8092233E-03 Delta_et -0.6120742E-02 Pxc 0.4434070E+01 Qxc -0.3840787E+01 3,+1 100 3 -1 1.788922 2.781379 0.577952 Rho 0.1439044E+00 |GRAD(Rho)| 0.1985583E-15 GRAD(Rho)x 0.3943785E-17 GRAD(Rho)y 0.5751015E-16 GRAD(Rho)z -0.1900064E-15 Laplacian 0.6093443E+00 (-1/4)Del**2(Rho)) -0.1523361E+00 Diamond 0.1177813E+01 Metallicity 0.4468970E+01 Ellipticity 0.8037026E-02 Gb(Abramov) 0.2150216E+00 Vb(Abramov) -0.2777071E+00 Hb(Abramov) -0.6268553E-01 Ex_ueg -0.5569514E-01 Ec_ueg -0.8054459E-02 Delta_ex -0.6480731E-01 Delta_ec 0.1567607E-01 Delta_et -0.2075706E+00 Pxc 0.6914821E+01 Qxc -0.4134157E+01 3,-1 101 3 -1 1.958814 2.975519 -0.845753 Rho 0.1427838E+00 |GRAD(Rho)| 0.2019165E-15 GRAD(Rho)x -0.1946956E-15 GRAD(Rho)y 0.5187907E-16 GRAD(Rho)z 0.1313240E-16 Laplacian 0.5687564E+00 (-1/4)Del**2(Rho)) -0.1421891E+00 Diamond 0.1093767E+01 Metallicity 0.4725907E+01 Ellipticity 0.3070246E-01 Gb(Abramov) 0.2067882E+00 Vb(Abramov) -0.2713872E+00 Hb(Abramov) -0.6459904E-01 Ex_ueg -0.5511761E-01 Ec_ueg -0.7983187E-02 Delta_ex -0.6042502E-01 Delta_ec 0.1474885E-01 Delta_et -0.1952580E+00 Pxc 0.6904212E+01 Qxc -0.4096930E+01 3,-1 102 3 -1 2.803625 -0.600430 -1.811705 Rho 0.1414250E+00 |GRAD(Rho)| 0.9295659E-12 GRAD(Rho)x -0.2042607E-12 GRAD(Rho)y 0.6120361E-12 GRAD(Rho)z -0.6691653E-12 Laplacian 0.5992724E+00 (-1/4)Del**2(Rho)) -0.1498181E+00 Diamond 0.1117832E+01 Metallicity 0.4414341E+01 Ellipticity 0.1815855E-01 Gb(Abramov) 0.2101034E+00 Vb(Abramov) -0.2703888E+00 Hb(Abramov) -0.6028534E-01 Ex_ueg -0.5441935E-01 Ec_ueg -0.7896871E-02 Delta_ex -0.6328776E-01 Delta_ec 0.1516363E-01 Delta_et -0.1995958E+00 Pxc 0.6891255E+01 Qxc -0.4173654E+01 3,-1 103 3 +3 2.355941 -0.022300 -0.009641 Rho 0.4324119E-02 |GRAD(Rho)| 0.7927744E-14 GRAD(Rho)x -0.6081343E-14 GRAD(Rho)y 0.3666924E-14 GRAD(Rho)z -0.3524210E-14 Laplacian 0.1786461E-01 (-1/4)Del**2(Rho)) -0.4466153E-02 Diamond 0.1555241E-03 Metallicity 0.4427062E+00 Ellipticity -0.3010115E+00 Gb(Abramov) 0.3306967E-02 Vb(Abramov) -0.2147782E-02 Hb(Abramov) 0.1159185E-02 Ex_ueg -0.5202936E-03 Ec_ueg -0.1179438E-03 Delta_ex -0.6529437E-03 Delta_ec 0.1858316E-03 Delta_et -0.1120437E-02 Pxc 0.4411368E+01 Qxc -0.3513630E+01 3,+3 104 3 -1 2.970398 -0.835280 1.971759 Rho 0.1411982E+00 |GRAD(Rho)| 0.3018499E-12 GRAD(Rho)x 0.1254461E-12 GRAD(Rho)y -0.2176635E-12 GRAD(Rho)z -0.1673297E-12 Laplacian 0.5658012E+00 (-1/4)Del**2(Rho)) -0.1414503E+00 Diamond 0.1072271E+01 Metallicity 0.4662991E+01 Ellipticity 0.2446836E-01 Gb(Abramov) 0.2042304E+00 Vb(Abramov) -0.2670106E+00 Hb(Abramov) -0.6278015E-01 Ex_ueg -0.5430301E-01 Ec_ueg -0.7882475E-02 Delta_ex -0.5993362E-01 Delta_ec 0.1468683E-01 Delta_et -0.1940573E+00 Pxc 0.6889082E+01 Qxc -0.4080772E+01 3,-1 105 3 -1 1.711519 0.476035 -1.687524 Rho 0.3586129E-01 |GRAD(Rho)| 0.1368247E-15 GRAD(Rho)x -0.9981235E-16 GRAD(Rho)y 0.4386540E-16 GRAD(Rho)z 0.8266999E-16 Laplacian 0.1486728E+00 (-1/4)Del**2(Rho)) -0.3716819E-01 Diamond 0.4919968E-01 Metallicity 0.1807555E+01 Ellipticity 0.2762845E-01 Gb(Abramov) 0.3597605E-01 Vb(Abramov) -0.3478391E-01 Hb(Abramov) 0.1192138E-02 Ex_ueg -0.8734128E-02 Ec_ueg -0.1649717E-02 Delta_ex -0.1134953E-01 Delta_ec 0.4587774E-02 Delta_et -0.4426953E-01 Pxc 0.5294320E+01 Qxc -0.2473864E+01 3,-1 106 3 -1 3.215577 -0.086575 -3.180439 Rho 0.2454722E+00 |GRAD(Rho)| 0.2946479E-10 GRAD(Rho)x 0.2040659E-10 GRAD(Rho)y -0.4840310E-11 GRAD(Rho)z -0.2069580E-10 Laplacian 0.8635161E+00 (-1/4)Del**2(Rho)) -0.2158790E+00 Diamond 0.3164713E+01 Metallicity 0.7679739E+01 Ellipticity 0.1600697E-02 Gb(Abramov) 0.4202351E+00 Vb(Abramov) -0.6245912E+00 Hb(Abramov) -0.2043561E+00 Ex_ueg -0.1135154E+00 Ec_ueg -0.1481821E-01 Delta_ex -0.1050851E+00 Delta_ec 0.1919416E-01 Delta_et -0.2671766E+00 Pxc 0.7660534E+01 Qxc -0.5474848E+01 3,-1 107 3 -1 3.197351 0.065168 3.192139 Rho 0.2565446E+00 |GRAD(Rho)| 0.2168244E-13 GRAD(Rho)x -0.1530536E-13 GRAD(Rho)y -0.3770150E-14 GRAD(Rho)z -0.1488826E-13 Laplacian 0.9208551E+00 (-1/4)Del**2(Rho)) -0.2302138E+00 Diamond 0.3522851E+01 Metallicity 0.7751039E+01 Ellipticity 0.1119148E-02 Gb(Abramov) 0.4508752E+00 Vb(Abramov) -0.6715366E+00 Hb(Abramov) -0.2206614E+00 Ex_ueg -0.1203933E+00 Ec_ueg -0.1559028E-01 Delta_ex -0.1131898E+00 Delta_ec 0.1988451E-01 Delta_et -0.2756355E+00 Pxc 0.7722327E+01 Qxc -0.5692358E+01 3,-1 108 3 +1 0.497135 0.591828 1.680314 Rho 0.8290212E-02 |GRAD(Rho)| 0.8597140E-17 GRAD(Rho)x -0.3636832E-17 GRAD(Rho)y -0.1656542E-17 GRAD(Rho)z -0.7611842E-17 Laplacian 0.3424217E-01 (-1/4)Del**2(Rho)) -0.8560542E-02 Diamond 0.9206180E-03 Metallicity 0.6833785E+00 Ellipticity -0.1427291E+01 Gb(Abramov) 0.6682043E-02 Vb(Abramov) -0.4803544E-02 Hb(Abramov) 0.1878499E-02 Ex_ueg -0.1239194E-02 Ec_ueg -0.2911407E-03 Delta_ex -0.1573033E-02 Delta_ec 0.5231819E-03 Delta_et -0.3508357E-02 Pxc 0.4256340E+01 Qxc -0.3006665E+01 3,+1 109 3 +1 -1.992059 -1.982472 -2.015911 Rho 0.1245937E-01 |GRAD(Rho)| 0.1195214E-11 GRAD(Rho)x -0.6762360E-12 GRAD(Rho)y -0.5645413E-12 GRAD(Rho)z 0.8077961E-12 Laplacian 0.5882773E-01 (-1/4)Del**2(Rho)) -0.1470693E-01 Diamond 0.2052443E-02 Metallicity 0.7843760E+00 Ellipticity -0.1154866E+01 Gb(Abramov) 0.1172725E-01 Vb(Abramov) -0.8747565E-02 Hb(Abramov) 0.2979683E-02 Ex_ueg -0.2133272E-02 Ec_ueg -0.4808162E-03 Delta_ex -0.2802441E-02 Delta_ec 0.5528348E-03 Delta_et -0.4342175E-02 Pxc 0.4436773E+01 Qxc -0.5069220E+01 3,+1 110 3 +1 2.106078 1.036269 -1.334942 Rho 0.2505546E-01 |GRAD(Rho)| 0.7811586E-15 GRAD(Rho)x 0.4787175E-15 GRAD(Rho)y -0.3006957E-15 GRAD(Rho)z -0.5390922E-15 Laplacian 0.1006147E+00 (-1/4)Del**2(Rho)) -0.2515368E-01 Diamond 0.1365288E-01 Metallicity 0.1469340E+01 Ellipticity -0.3965628E+01 Gb(Abramov) 0.2292900E-01 Vb(Abramov) -0.2070433E-01 Hb(Abramov) 0.2224674E-02 Ex_ueg -0.5414873E-02 Ec_ueg -0.1091507E-02 Delta_ex -0.6310490E-02 Delta_ec 0.1795011E-02 Delta_et -0.1583329E-01 Pxc 0.4960915E+01 Qxc -0.3515573E+01 3,+1 111 3 -1 -2.780732 -1.801286 0.579657 Rho 0.1443557E+00 |GRAD(Rho)| 0.2398778E-15 GRAD(Rho)x -0.9643301E-16 GRAD(Rho)y 0.1966878E-15 GRAD(Rho)z -0.9775438E-16 Laplacian 0.6114278E+00 (-1/4)Del**2(Rho)) -0.1528570E+00 Diamond 0.1186237E+01 Metallicity 0.4477045E+01 Ellipticity 0.8503292E-02 Gb(Abramov) 0.2159625E+00 Vb(Abramov) -0.2790681E+00 Hb(Abramov) -0.6310558E-01 Ex_ueg -0.5592815E-01 Ec_ueg -0.8083185E-02 Delta_ex -0.6507809E-01 Delta_ec 0.1571654E-01 Delta_et -0.2081998E+00 Pxc 0.6919074E+01 Qxc -0.4140739E+01 3,-1 112 3 +1 -1.755711 -1.754838 1.756705 Rho 0.1242692E-01 |GRAD(Rho)| 0.1316602E-13 GRAD(Rho)x -0.4860530E-14 GRAD(Rho)y 0.1115283E-13 GRAD(Rho)z 0.5033273E-14 Laplacian 0.6291342E-01 (-1/4)Del**2(Rho)) -0.1572836E-01 Diamond 0.2634352E-02 Metallicity 0.7302573E+00 Ellipticity -0.1242375E+01 Gb(Abramov) 0.1239986E-01 Vb(Abramov) -0.9071367E-02 Hb(Abramov) 0.3328494E-02 Ex_ueg -0.2125869E-02 Ec_ueg -0.4793130E-03 Delta_ex -0.3118281E-02 Delta_ec 0.8114755E-03 Delta_et -0.6140750E-02 Pxc 0.4435242E+01 Qxc -0.3842730E+01 3,+1 113 3 -1 -1.821741 0.561109 -2.799383 Rho 0.1367763E+00 |GRAD(Rho)| 0.3538528E-15 GRAD(Rho)x -0.1910500E-15 GRAD(Rho)y -0.2943880E-15 GRAD(Rho)z 0.4524850E-16 Laplacian 0.5760125E+00 (-1/4)Del**2(Rho)) -0.1440031E+00 Diamond 0.1032672E+01 Metallicity 0.4343760E+01 Ellipticity 0.1634396E-01 Gb(Abramov) 0.2002546E+00 Vb(Abramov) -0.2565060E+00 Hb(Abramov) -0.5625145E-01 Ex_ueg -0.5204744E-01 Ec_ueg -0.7602455E-02 Delta_ex -0.6034261E-01 Delta_ec 0.1470529E-01 Delta_et -0.1926303E+00 Pxc 0.6846135E+01 Qxc -0.4103462E+01 3,-1 114 3 +3 -1.093966 1.082622 -1.158498 Rho 0.5054633E-02 |GRAD(Rho)| 0.2909530E-13 GRAD(Rho)x 0.2859584E-13 GRAD(Rho)y 0.4305833E-14 GRAD(Rho)z -0.3205342E-14 Laplacian 0.2118607E-01 (-1/4)Del**2(Rho)) -0.5296518E-02 Diamond 0.1635561E-03 Metallicity 0.4842230E+00 Ellipticity -0.2567629E+00 Gb(Abramov) 0.3958461E-02 Vb(Abramov) -0.2620404E-02 Hb(Abramov) 0.1338057E-02 Ex_ueg -0.6406751E-03 Ec_ueg -0.1492646E-03 Delta_ex -0.7464289E-03 Delta_ec 0.1152020E-03 Delta_et -0.8505646E-03 Pxc 0.4292210E+01 Qxc -0.6479302E+01 3,+3 115 3 -1 -1.710491 0.500268 1.673386 Rho 0.3703308E-01 |GRAD(Rho)| 0.6776070E-16 GRAD(Rho)x -0.2134714E-16 GRAD(Rho)y -0.2911538E-16 GRAD(Rho)z 0.5734201E-16 Laplacian 0.1454428E+00 (-1/4)Del**2(Rho)) -0.3636069E-01 Diamond 0.4789092E-01 Metallicity 0.1949415E+01 Ellipticity 0.1266023E-01 Gb(Abramov) 0.3605414E-01 Vb(Abramov) -0.3574758E-01 Hb(Abramov) 0.3065536E-03 Ex_ueg -0.9116712E-02 Ec_ueg -0.1711771E-02 Delta_ex -0.1103675E-01 Delta_ec 0.4212858E-02 Delta_et -0.4099506E-01 Pxc 0.5325896E+01 Qxc -0.2619778E+01 3,-1 116 3 +1 -1.182058 1.190952 2.092241 Rho 0.2419223E-01 |GRAD(Rho)| 0.3353425E-16 GRAD(Rho)x 0.9001178E-17 GRAD(Rho)y 0.1259952E-16 GRAD(Rho)z -0.2974520E-16 Laplacian 0.9613354E-01 (-1/4)Del**2(Rho)) -0.2403339E-01 Diamond 0.1325964E-01 Metallicity 0.1450545E+01 Ellipticity -0.6822080E+01 Gb(Abramov) 0.2183251E-01 Vb(Abramov) -0.1963163E-01 Hb(Abramov) 0.2200875E-02 Ex_ueg -0.5167568E-02 Ec_ueg -0.1048131E-02 Delta_ex -0.6067768E-02 Delta_ec 0.1882963E-02 Delta_et -0.1642384E-01 Pxc 0.4930271E+01 Qxc -0.3222456E+01 3,+1 117 3 -1 -1.974314 0.830422 2.983045 Rho 0.1437478E+00 |GRAD(Rho)| 0.2061713E-15 GRAD(Rho)x 0.1257675E-15 GRAD(Rho)y 0.1552442E-15 GRAD(Rho)z 0.5087619E-16 Laplacian 0.5743631E+00 (-1/4)Del**2(Rho)) -0.1435908E+00 Diamond 0.1109884E+01 Metallicity 0.4732553E+01 Ellipticity 0.2622296E-01 Gb(Abramov) 0.2089857E+00 Vb(Abramov) -0.2743806E+00 Hb(Abramov) -0.6539491E-01 Ex_ueg -0.5561434E-01 Ec_ueg -0.8044495E-02 Delta_ex -0.6108261E-01 Delta_ec 0.1480149E-01 Delta_et -0.1960050E+00 Pxc 0.6913342E+01 Qxc -0.4126787E+01 3,-1 118 3 +1 -0.542906 0.550993 -1.696174 Rho 0.8460176E-02 |GRAD(Rho)| 0.1930668E-13 GRAD(Rho)x -0.1670067E-13 GRAD(Rho)y -0.5613757E-14 GRAD(Rho)z -0.7894387E-14 Laplacian 0.3490016E-01 (-1/4)Del**2(Rho)) -0.8725040E-02 Diamond 0.9990143E-03 Metallicity 0.6935611E+00 Ellipticity -0.1477709E+01 Gb(Abramov) 0.6825251E-02 Vb(Abramov) -0.4925463E-02 Hb(Abramov) 0.1899789E-02 Ex_ueg -0.1273183E-02 Ec_ueg -0.2987283E-03 Delta_ex -0.1627234E-02 Delta_ec 0.5615466E-03 Delta_et -0.3764478E-02 Pxc 0.4262010E+01 Qxc -0.2897771E+01 3,+1 119 3 -1 -0.543606 2.753074 -1.825758 Rho 0.1055880E+00 |GRAD(Rho)| 0.4324198E-12 GRAD(Rho)x 0.2770323E-12 GRAD(Rho)y -0.4494077E-13 GRAD(Rho)z -0.3289686E-12 Laplacian 0.4374457E+00 (-1/4)Del**2(Rho)) -0.1093614E+00 Diamond 0.5816615E+00 Metallicity 0.3715752E+01 Ellipticity 0.1658666E-01 Gb(Abramov) 0.1406343E+00 Vb(Abramov) -0.1719071E+00 Hb(Abramov) -0.3127284E-01 Ex_ueg -0.3685852E-01 Ec_ueg -0.5664780E-02 Delta_ex -0.4318712E-01 Delta_ec 0.1207242E-01 Delta_et -0.1515915E+00 Pxc 0.6506611E+01 Qxc -0.3577339E+01 3,-1 120 3 -1 -0.846958 2.960567 1.988431 Rho 0.1403291E+00 |GRAD(Rho)| 0.3734858E-14 GRAD(Rho)x 0.5026632E-16 GRAD(Rho)y -0.3285932E-14 GRAD(Rho)z -0.1774622E-14 Laplacian 0.5627527E+00 (-1/4)Del**2(Rho)) -0.1406882E+00 Diamond 0.1059305E+01 Metallicity 0.4640256E+01 Ellipticity 0.4224355E-01 Gb(Abramov) 0.2025970E+00 Vb(Abramov) -0.2645057E+00 Hb(Abramov) -0.6190879E-01 Ex_ueg -0.5385782E-01 Ec_ueg -0.7827342E-02 Delta_ex -0.5952875E-01 Delta_ec 0.1464310E-01 Delta_et -0.1933263E+00 Pxc 0.6880729E+01 Qxc -0.4065312E+01 3,-1 121 3 -1 0.514705 1.683513 -1.719837 Rho 0.3678246E-01 |GRAD(Rho)| 0.1878333E-14 GRAD(Rho)x -0.6326572E-15 GRAD(Rho)y -0.4356863E-15 GRAD(Rho)z 0.1714076E-14 Laplacian 0.1535313E+00 (-1/4)Del**2(Rho)) -0.3838283E-01 Diamond 0.5267317E-01 Metallicity 0.1825930E+01 Ellipticity 0.1178684E-01 Gb(Abramov) 0.3726928E-01 Vb(Abramov) -0.3615573E-01 Hb(Abramov) 0.1113553E-02 Ex_ueg -0.9034540E-02 Ec_ueg -0.1698476E-02 Delta_ex -0.1179865E-01 Delta_ec 0.4746725E-02 Delta_et -0.4612417E-01 Pxc 0.5319205E+01 Qxc -0.2485639E+01 3,-1 122 3 -1 -0.038529 3.177873 -3.224061 Rho 0.2451792E+00 |GRAD(Rho)| 0.8501258E-15 GRAD(Rho)x 0.1807907E-15 GRAD(Rho)y -0.3707971E-15 GRAD(Rho)z 0.7433290E-15 Laplacian 0.8658652E+00 (-1/4)Del**2(Rho)) -0.2164663E+00 Diamond 0.3165836E+01 Metallicity 0.7643678E+01 Ellipticity 0.9910509E-03 Gb(Abramov) 0.4200773E+00 Vb(Abramov) -0.6236883E+00 Hb(Abramov) -0.2036110E+00 Ex_ueg -0.1133348E+00 Ec_ueg -0.1479787E-01 Delta_ex -0.1053229E+00 Delta_ec 0.1922615E-01 Delta_et -0.2674900E+00 Pxc 0.7658858E+01 Qxc -0.5478107E+01 3,-1 123 3 -1 0.050955 3.205592 3.211693 Rho 0.2573083E+00 |GRAD(Rho)| 0.5293016E-10 GRAD(Rho)x 0.8399190E-11 GRAD(Rho)y 0.3730254E-10 GRAD(Rho)z 0.3660022E-10 Laplacian 0.9180072E+00 (-1/4)Del**2(Rho)) -0.2295018E+00 Diamond 0.3532846E+01 Metallicity 0.7813698E+01 Ellipticity 0.1197908E-02 Gb(Abramov) 0.4518775E+00 Vb(Abramov) -0.6742532E+00 Hb(Abramov) -0.2223757E+00 Ex_ueg -0.1208713E+00 Ec_ueg -0.1564378E-01 Delta_ex -0.1129683E+00 Delta_ec 0.1987676E-01 Delta_et -0.2758865E+00 Pxc 0.7726479E+01 Qxc -0.5683436E+01 3,-1 124 3 -1 0.580136 1.816049 2.796058 Rho 0.1455368E+00 |GRAD(Rho)| 0.1775642E-15 GRAD(Rho)x 0.1406752E-16 GRAD(Rho)y 0.1608685E-15 GRAD(Rho)z 0.7384094E-16 Laplacian 0.6148264E+00 (-1/4)Del**2(Rho)) -0.1537066E+00 Diamond 0.1204925E+01 Metallicity 0.4513174E+01 Ellipticity 0.9634408E-02 Gb(Abramov) 0.2180885E+00 Vb(Abramov) -0.2824704E+00 Hb(Abramov) -0.6438191E-01 Ex_ueg -0.5653910E-01 Ec_ueg -0.8158421E-02 Delta_ex -0.6557408E-01 Delta_ec 0.1577900E-01 Delta_et -0.2092904E+00 Pxc 0.6930152E+01 Qxc -0.4155781E+01 3,-1 125 3 +1 0.568472 -1.683447 -0.525219 Rho 0.8506130E-02 |GRAD(Rho)| 0.1288917E-16 GRAD(Rho)x 0.8137258E-17 GRAD(Rho)y -0.8176779E-17 GRAD(Rho)z -0.5749433E-17 Laplacian 0.3524473E-01 (-1/4)Del**2(Rho)) -0.8811182E-02 Diamond 0.9935139E-03 Metallicity 0.6930092E+00 Ellipticity -0.1447795E+01 Gb(Abramov) 0.6891826E-02 Vb(Abramov) -0.4972471E-02 Hb(Abramov) 0.1919356E-02 Ex_ueg -0.1282412E-02 Ec_ueg -0.3007821E-03 Delta_ex -0.1635061E-02 Delta_ec 0.5484585E-03 Delta_et -0.3695320E-02 Pxc 0.4263593E+01 Qxc -0.2981193E+01 3,+1 126 3 +1 -1.213006 -2.110790 -1.153261 Rho 0.2611310E-01 |GRAD(Rho)| 0.1753573E-16 GRAD(Rho)x 0.1658172E-17 GRAD(Rho)y 0.1190046E-16 GRAD(Rho)z 0.1277229E-16 Laplacian 0.1063748E+00 (-1/4)Del**2(Rho)) -0.2659369E-01 Diamond 0.1628240E-01 Metallicity 0.1488922E+01 Ellipticity -0.7399936E+01 Gb(Abramov) 0.2432845E-01 Vb(Abramov) -0.2206321E-01 Hb(Abramov) 0.2265242E-02 Ex_ueg -0.5721760E-02 Ec_ueg -0.1144919E-02 Delta_ex -0.6848187E-02 Delta_ec 0.2081332E-02 Delta_et -0.1851305E-01 Pxc 0.4997525E+01 Qxc -0.3290291E+01 3,+1 127 3 -1 0.351920 -0.348161 0.359694 Rho 0.2033582E+00 |GRAD(Rho)| 0.8452063E-12 GRAD(Rho)x -0.5275155E-12 GRAD(Rho)y 0.4815917E-12 GRAD(Rho)z -0.4518523E-12 Laplacian 0.7337474E+00 (-1/4)Del**2(Rho)) -0.1834368E+00 Diamond 0.2379881E+01 Metallicity 0.6604440E+01 Ellipticity 0.4118340E-02 Gb(Abramov) 0.3242075E+00 Vb(Abramov) -0.4649781E+00 Hb(Abramov) -0.1407706E+00 Ex_ueg -0.8832166E-01 Ec_ueg -0.1194306E-01 Delta_ex -0.8661689E-01 Delta_ec 0.2000201E-01 Delta_et -0.2852475E+00 Pxc 0.7395229E+01 Qxc -0.4330410E+01 3,-1 128 3 -1 -1.681153 1.674759 0.456608 Rho 0.5196690E-01 |GRAD(Rho)| 0.2604969E-15 GRAD(Rho)x 0.1631961E-15 GRAD(Rho)y -0.6812686E-17 GRAD(Rho)z 0.2029266E-15 Laplacian 0.2091259E+00 (-1/4)Del**2(Rho)) -0.5228148E-01 Diamond 0.1088868E+00 Metallicity 0.2384606E+01 Ellipticity 0.1085805E-01 Gb(Abramov) 0.5563278E-01 Vb(Abramov) -0.5898407E-01 Hb(Abramov) -0.3351292E-02 Ex_ueg -0.1432256E-01 Ec_ueg -0.2523882E-02 Delta_ex -0.1726594E-01 Delta_ec 0.6022177E-02 Delta_et -0.6407772E-01 Pxc 0.5674816E+01 Qxc -0.2867060E+01 3,-1 129 3 +1 1.314569 1.060684 -2.130070 Rho 0.2311932E-01 |GRAD(Rho)| 0.2484044E-16 GRAD(Rho)x -0.1469805E-16 GRAD(Rho)y 0.5028444E-17 GRAD(Rho)z 0.1938374E-16 Laplacian 0.9111475E-01 (-1/4)Del**2(Rho)) -0.2277869E-01 Diamond 0.1129540E-01 Metallicity 0.1419001E+01 Ellipticity -0.4232946E+01 Gb(Abramov) 0.2057296E-01 Vb(Abramov) -0.1836723E-01 Hb(Abramov) 0.2205731E-02 Ex_ueg -0.4864278E-02 Ec_ueg -0.9944989E-03 Delta_ex -0.5621667E-02 Delta_ec 0.1674107E-02 Delta_et -0.1445953E-01 Pxc 0.4891185E+01 Qxc -0.3358009E+01 3,+1 130 3 +3 1.081412 1.111539 1.118467 Rho 0.4974916E-02 |GRAD(Rho)| 0.1325865E-17 GRAD(Rho)x -0.2839771E-18 GRAD(Rho)y -0.1220989E-17 GRAD(Rho)z -0.4318098E-18 Laplacian 0.2038465E-01 (-1/4)Del**2(Rho)) -0.5096162E-02 Diamond 0.1506046E-03 Metallicity 0.4901016E+00 Ellipticity -0.8237445E-01 Gb(Abramov) 0.3813714E-02 Vb(Abramov) -0.2531267E-02 Hb(Abramov) 0.1282448E-02 Ex_ueg -0.6272385E-03 Ec_ueg -0.1458335E-03 Delta_ex -0.7119204E-03 Delta_ec 0.1051998E-03 Delta_et -0.7875681E-03 Pxc 0.4301060E+01 Qxc -0.6767314E+01 3,+3 131 3 -1 3.209987 -3.218513 -0.033473 Rho 0.2571627E+00 |GRAD(Rho)| 0.1032814E-11 GRAD(Rho)x -0.7192275E-12 GRAD(Rho)y 0.7196097E-12 GRAD(Rho)z 0.1777044E-12 Laplacian 0.9155213E+00 (-1/4)Del**2(Rho)) -0.2288803E+00 Diamond 0.3520401E+01 Metallicity 0.7827528E+01 Ellipticity 0.8889418E-03 Gb(Abramov) 0.4511814E+00 Vb(Abramov) -0.6734825E+00 Hb(Abramov) -0.2223011E+00 Ex_ueg -0.1207802E+00 Ec_ueg -0.1563358E-01 Delta_ex -0.1126433E+00 Delta_ec 0.1982224E-01 Delta_et -0.2751074E+00 Pxc 0.7725688E+01 Qxc -0.5682672E+01 3,-1 132 3 -1 2.765819 1.807208 0.569583 Rho 0.1441356E+00 |GRAD(Rho)| 0.1769027E-14 GRAD(Rho)x -0.4755175E-15 GRAD(Rho)y 0.1411374E-14 GRAD(Rho)z -0.9546536E-15 Laplacian 0.6098565E+00 (-1/4)Del**2(Rho)) -0.1524641E+00 Diamond 0.1181315E+01 Metallicity 0.4477177E+01 Ellipticity 0.8736049E-02 Gb(Abramov) 0.2154109E+00 Vb(Abramov) -0.2783577E+00 Hb(Abramov) -0.6294677E-01 Ex_ueg -0.5581446E-01 Ec_ueg -0.8069171E-02 Delta_ex -0.6488972E-01 Delta_ec 0.1568752E-01 Delta_et -0.2077809E+00 Pxc 0.6917001E+01 Qxc -0.4136390E+01 3,-1 133 3 -1 -3.186714 0.041804 -3.219171 Rho 0.2458039E+00 |GRAD(Rho)| 0.4831206E-15 GRAD(Rho)x -0.4259830E-15 GRAD(Rho)y 0.1469907E-15 GRAD(Rho)z -0.1741771E-15 Laplacian 0.8655881E+00 (-1/4)Del**2(Rho)) -0.2163970E+00 Diamond 0.3176601E+01 Metallicity 0.7678619E+01 Ellipticity 0.3015960E-02 Gb(Abramov) 0.4212031E+00 Vb(Abramov) -0.6260091E+00 Hb(Abramov) -0.2048060E+00 Ex_ueg -0.1137200E+00 Ec_ueg -0.1484124E-01 Delta_ex -0.1053699E+00 Delta_ec 0.1922449E-01 Delta_et -0.2675751E+00 Pxc 0.7662429E+01 Qxc -0.5481027E+01 3,-1 134 3 -1 -1.973317 -0.861918 -3.013805 Rho 0.1480041E+00 |GRAD(Rho)| 0.1902905E-13 GRAD(Rho)x -0.3720982E-14 GRAD(Rho)y -0.1840033E-13 GRAD(Rho)z -0.3112365E-14 Laplacian 0.5833550E+00 (-1/4)Del**2(Rho)) -0.1458388E+00 Diamond 0.1154654E+01 Metallicity 0.4891814E+01 Ellipticity 0.5503659E-01 Gb(Abramov) 0.2161285E+00 Vb(Abramov) -0.2864183E+00 Hb(Abramov) -0.7028976E-01 Ex_ueg -0.5782072E-01 Ec_ueg -0.8315872E-02 Delta_ex -0.6235338E-01 Delta_ec 0.1469373E-01 Delta_et -0.1948812E+00 Pxc 0.6953055E+01 Qxc -0.4243536E+01 3,-1 135 3 -1 -1.818910 -0.580960 2.793910 Rho 0.1438444E+00 |GRAD(Rho)| 0.2195604E-14 GRAD(Rho)x -0.1768903E-14 GRAD(Rho)y 0.1241615E-14 GRAD(Rho)z -0.3873651E-15 Laplacian 0.6081644E+00 (-1/4)Del**2(Rho)) -0.1520411E+00 Diamond 0.1175776E+01 Metallicity 0.4474526E+01 Ellipticity 0.9507666E-02 Gb(Abramov) 0.2147461E+00 Vb(Abramov) -0.2774510E+00 Hb(Abramov) -0.6270495E-01 Ex_ueg -0.5566416E-01 Ec_ueg -0.8050638E-02 Delta_ex -0.6468401E-01 Delta_ec 0.1566298E-01 Delta_et -0.2074185E+00 Pxc 0.6914254E+01 Qxc -0.4129738E+01 3,-1 136 3 +1 -0.495599 1.681787 -0.583535 Rho 0.9257936E-02 |GRAD(Rho)| 0.1412950E-16 GRAD(Rho)x 0.5599698E-17 GRAD(Rho)y -0.1284529E-16 GRAD(Rho)z -0.1812407E-17 Laplacian 0.3972953E-01 (-1/4)Del**2(Rho)) -0.9932383E-02 Diamond 0.1269374E-02 Metallicity 0.7079838E+00 Ellipticity -0.1453930E+01 Gb(Abramov) 0.7793583E-02 Vb(Abramov) -0.5654783E-02 Hb(Abramov) 0.2138800E-02 Ex_ueg -0.1435723E-02 Ec_ueg -0.3345132E-03 Delta_ex -0.1887582E-02 Delta_ec 0.6274013E-03 Delta_et -0.4315914E-02 Pxc 0.4291976E+01 Qxc -0.3008573E+01 3,+1 137 3 +1 -1.002710 2.094420 1.359667 Rho 0.2654086E-01 |GRAD(Rho)| 0.2815597E-16 GRAD(Rho)x -0.1050571E-16 GRAD(Rho)y 0.2587663E-16 GRAD(Rho)z 0.3576114E-17 Laplacian 0.1041666E+00 (-1/4)Del**2(Rho)) -0.2604165E-01 Diamond 0.1354725E-01 Metallicity 0.1562222E+01 Ellipticity -0.2731978E+01 Gb(Abramov) 0.2414158E-01 Vb(Abramov) -0.2224150E-01 Hb(Abramov) 0.1900076E-02 Ex_ueg -0.5847070E-02 Ec_ueg -0.1166603E-02 Delta_ex -0.6458169E-02 Delta_ec 0.1544526E-02 Delta_et -0.1387576E-01 Pxc 0.5012050E+01 Qxc -0.4181328E+01 3,+1 138 3 -1 -0.834837 1.968579 2.984990 Rho 0.1450272E+00 |GRAD(Rho)| 0.1093304E-15 GRAD(Rho)x -0.1021725E-15 GRAD(Rho)y -0.2858228E-16 GRAD(Rho)z 0.2640032E-16 Laplacian 0.5800749E+00 (-1/4)Del**2(Rho)) -0.1450187E+00 Diamond 0.1131919E+01 Metallicity 0.4755666E+01 Ellipticity 0.2847339E-01 Gb(Abramov) 0.2116226E+00 Vb(Abramov) -0.2782264E+00 Hb(Abramov) -0.6660386E-01 Ex_ueg -0.5627526E-01 Ec_ueg -0.8125944E-02 Delta_ex -0.6181335E-01 Delta_ec 0.1489772E-01 Delta_et -0.1974956E+00 Pxc 0.6925381E+01 Qxc -0.4149181E+01 3,-1 139 3 -1 -0.562410 1.813780 -2.800701 Rho 0.1317090E+00 |GRAD(Rho)| 0.2546925E-13 GRAD(Rho)x 0.1747608E-13 GRAD(Rho)y 0.1846071E-13 GRAD(Rho)z 0.1572036E-14 Laplacian 0.5530372E+00 (-1/4)Del**2(Rho)) -0.1382593E+00 Diamond 0.9502319E+00 Metallicity 0.4248329E+01 Ellipticity 0.1397638E-01 Gb(Abramov) 0.1900680E+00 Vb(Abramov) -0.2418767E+00 Hb(Abramov) -0.5180873E-01 Ex_ueg -0.4949247E-01 Ec_ueg -0.7283124E-02 Delta_ex -0.5743885E-01 Delta_ec 0.1430610E-01 Delta_et -0.1864276E+00 Pxc 0.6795501E+01 Qxc -0.4014990E+01 3,-1 140 3 -1 0.861911 1.971266 -3.017383 Rho 0.1543453E+00 |GRAD(Rho)| 0.2409857E-15 GRAD(Rho)x -0.1822679E-15 GRAD(Rho)y 0.5357314E-16 GRAD(Rho)z 0.1482646E-15 Laplacian 0.6063024E+00 (-1/4)Del**2(Rho)) -0.1515756E+00 Diamond 0.1261779E+01 Metallicity 0.5047539E+01 Ellipticity 0.6207936E-01 Gb(Abramov) 0.2285644E+00 Vb(Abramov) -0.3055531E+00 Hb(Abramov) -0.7698875E-01 Ex_ueg -0.6114717E-01 Ec_ueg -0.8722255E-02 Delta_ex -0.6547707E-01 Delta_ec 0.1510690E-01 Delta_et -0.2014870E+00 Pxc 0.7010477E+01 Qxc -0.4334248E+01 3,-1 141 3 -1 1.673274 -0.472166 1.694764 Rho 0.4010327E-01 |GRAD(Rho)| 0.2926798E-16 GRAD(Rho)x 0.1021437E-16 GRAD(Rho)y 0.1302588E-16 GRAD(Rho)z 0.2413726E-16 Laplacian 0.1597668E+00 (-1/4)Del**2(Rho)) -0.3994169E-01 Diamond 0.5929424E-01 Metallicity 0.2026561E+01 Ellipticity 0.1353894E-01 Gb(Abramov) 0.4011851E-01 Vb(Abramov) -0.4029532E-01 Hb(Abramov) -0.1768173E-03 Ex_ueg -0.1013814E-01 Ec_ueg -0.1875606E-02 Delta_ex -0.1240471E-01 Delta_ec 0.4694239E-02 Delta_et -0.4667650E-01 Pxc 0.5405259E+01 Qxc -0.2642539E+01 3,-1 142 3 -1 2.775428 0.577550 1.801105 Rho 0.1428284E+00 |GRAD(Rho)| 0.8050460E-16 GRAD(Rho)x -0.5786929E-17 GRAD(Rho)y -0.8027162E-16 GRAD(Rho)z -0.1992221E-17 Laplacian 0.6028449E+00 (-1/4)Del**2(Rho)) -0.1507112E+00 Diamond 0.1155306E+01 Metallicity 0.4460997E+01 Ellipticity 0.8029887E-02 Gb(Abramov) 0.2125279E+00 Vb(Abramov) -0.2743445E+00 Hb(Abramov) -0.6181664E-01 Ex_ueg -0.5514056E-01 Ec_ueg -0.7986021E-02 Delta_ex -0.6400415E-01 Delta_ec 0.1554714E-01 Delta_et -0.2056564E+00 Pxc 0.6904635E+01 Qxc -0.4116779E+01 3,-1 143 3 -1 2.974133 0.827800 -1.986174 Rho 0.1362873E+00 |GRAD(Rho)| 0.1341309E-11 GRAD(Rho)x 0.5178684E-12 GRAD(Rho)y 0.1004740E-11 GRAD(Rho)z 0.7220953E-12 Laplacian 0.5406809E+00 (-1/4)Del**2(Rho)) -0.1351702E+00 Diamond 0.9689701E+00 Metallicity 0.4600068E+01 Ellipticity 0.4578281E-01 Gb(Abramov) 0.1937455E+00 Vb(Abramov) -0.2523208E+00 Hb(Abramov) -0.5857531E-01 Ex_ueg -0.5179949E-01 Ec_ueg -0.7571568E-02 Delta_ex -0.5663495E-01 Delta_ec 0.1389219E-01 Delta_et -0.1820371E+00 Pxc 0.6841316E+01 Qxc -0.4076749E+01 3,-1 144 3 -1 -2.763287 0.546094 -1.821564 Rho 0.1061981E+00 |GRAD(Rho)| 0.1440798E-15 GRAD(Rho)x 0.8981599E-16 GRAD(Rho)y -0.3318336E-16 GRAD(Rho)z -0.1076613E-15 Laplacian 0.4384912E+00 (-1/4)Del**2(Rho)) -0.1096228E+00 Diamond 0.5871446E+00 Metallicity 0.3742656E+01 Ellipticity 0.2020120E-01 Gb(Abramov) 0.1414619E+00 Vb(Abramov) -0.1733011E+00 Hb(Abramov) -0.3183914E-01 Ex_ueg -0.3714273E-01 Ec_ueg -0.5702014E-02 Delta_ex -0.4334936E-01 Delta_ec 0.1208652E-01 Delta_et -0.1519373E+00 Pxc 0.6513967E+01 Qxc -0.3586589E+01 3,-1 145 3 -1 0.596510 -2.786668 -1.805926 Rho 0.1482886E+00 |GRAD(Rho)| 0.1297966E-13 GRAD(Rho)x -0.8689542E-14 GRAD(Rho)y 0.2054082E-14 GRAD(Rho)z -0.9420416E-14 Laplacian 0.6285566E+00 (-1/4)Del**2(Rho)) -0.1571391E+00 Diamond 0.1260250E+01 Metallicity 0.4554583E+01 Ellipticity 0.9464197E-02 Gb(Abramov) 0.2240433E+00 Vb(Abramov) -0.2909475E+00 Hb(Abramov) -0.6690416E-01 Ex_ueg -0.5796897E-01 Ec_ueg -0.8334053E-02 Delta_ex -0.6735066E-01 Delta_ec 0.1606407E-01 Delta_et -0.2136613E+00 Pxc 0.6955676E+01 Qxc -0.4192628E+01 3,-1 146 3 -1 0.581541 -1.808409 -2.778756 Rho 0.1445301E+00 |GRAD(Rho)| 0.5888897E-15 GRAD(Rho)x 0.5484166E-15 GRAD(Rho)y 0.2141706E-15 GRAD(Rho)z -0.1269872E-16 Laplacian 0.6065865E+00 (-1/4)Del**2(Rho)) -0.1516466E+00 Diamond 0.1177003E+01 Metallicity 0.4521865E+01 Ellipticity 0.9919952E-02 Gb(Abramov) 0.2153853E+00 Vb(Abramov) -0.2791240E+00 Hb(Abramov) -0.6373871E-01 Ex_ueg -0.5601824E-01 Ec_ueg -0.8094286E-02 Delta_ex -0.6456562E-01 Delta_ec 0.1555853E-01 Delta_et -0.2060800E+00 Pxc 0.6920714E+01 Qxc -0.4149855E+01 3,-1 147 3 -1 0.472516 -1.671305 1.697110 Rho 0.3976135E-01 |GRAD(Rho)| 0.1970627E-14 GRAD(Rho)x -0.5633065E-15 GRAD(Rho)y -0.1322735E-14 GRAD(Rho)z 0.1347749E-14 Laplacian 0.1581737E+00 (-1/4)Del**2(Rho)) -0.3954342E-01 Diamond 0.5798722E-01 Metallicity 0.2017967E+01 Ellipticity 0.1366021E-01 Gb(Abramov) 0.3966184E-01 Vb(Abramov) -0.3978025E-01 Hb(Abramov) -0.1184159E-03 Ex_ueg -0.1002305E-01 Ec_ueg -0.1857273E-02 Delta_ex -0.1225280E-01 Delta_ec 0.4643917E-02 Delta_et -0.4606961E-01 Pxc 0.5396649E+01 Qxc -0.2638463E+01 3,-1 148 3 +1 1.992909 -1.991931 1.991517 Rho 0.1269605E-01 |GRAD(Rho)| 0.2115928E-16 GRAD(Rho)x -0.1674718E-16 GRAD(Rho)y 0.2905903E-17 GRAD(Rho)z 0.1260170E-16 Laplacian 0.6019087E-01 (-1/4)Del**2(Rho)) -0.1504772E-01 Diamond 0.2171766E-02 Metallicity 0.7910370E+00 Ellipticity -0.1164414E+01 Gb(Abramov) 0.1201569E-01 Vb(Abramov) -0.8983673E-02 Hb(Abramov) 0.3032022E-02 Ex_ueg -0.2187475E-02 Ec_ueg -0.4917956E-03 Delta_ex -0.2886723E-02 Delta_ec 0.5735378E-03 Delta_et -0.4514819E-02 Pxc 0.4447936E+01 Qxc -0.5033188E+01 3,+1 149 3 +1 1.160012 -1.176666 2.116478 Rho 0.2581592E-01 |GRAD(Rho)| 0.9181646E-14 GRAD(Rho)x -0.3957220E-15 GRAD(Rho)y -0.4092692E-14 GRAD(Rho)z 0.8209500E-14 Laplacian 0.1054563E+00 (-1/4)Del**2(Rho)) -0.2636407E-01 Diamond 0.1600786E-01 Metallicity 0.1473511E+01 Ellipticity -0.7696347E+01 Gb(Abramov) 0.2405067E-01 Vb(Abramov) -0.2173727E-01 Hb(Abramov) 0.2313401E-02 Ex_ueg -0.5635102E-02 Ec_ueg -0.1129881E-02 Delta_ex -0.6781003E-02 Delta_ec 0.2085234E-02 Delta_et -0.1848977E-01 Pxc 0.4987339E+01 Qxc -0.3251915E+01 3,+1 150 3 -1 -0.472634 -1.695779 -1.689366 Rho 0.4097456E-01 |GRAD(Rho)| 0.1440192E-12 GRAD(Rho)x 0.6254742E-13 GRAD(Rho)y 0.1296686E-12 GRAD(Rho)z 0.3926319E-14 Laplacian 0.1631411E+00 (-1/4)Del**2(Rho)) -0.4078528E-01 Diamond 0.6238553E-01 Metallicity 0.2057028E+01 Ellipticity 0.2110661E-01 Gb(Abramov) 0.4117293E-01 Vb(Abramov) -0.4156058E-01 Hb(Abramov) -0.3876473E-03 Ex_ueg -0.1043288E-01 Ec_ueg -0.1922418E-02 Delta_ex -0.1273703E-01 Delta_ec 0.4797017E-02 Delta_et -0.4797469E-01 Pxc 0.5426955E+01 Qxc -0.2655198E+01 3,-1 151 3 -1 0.834774 -2.968951 1.977016 Rho 0.1403847E+00 |GRAD(Rho)| 0.1063881E-13 GRAD(Rho)x -0.7479342E-14 GRAD(Rho)y 0.3524131E-14 GRAD(Rho)z 0.6695084E-14 Laplacian 0.5630965E+00 (-1/4)Del**2(Rho)) -0.1407741E+00 Diamond 0.1059882E+01 Metallicity 0.4640483E+01 Ellipticity 0.2343641E-01 Gb(Abramov) 0.2027261E+00 Vb(Abramov) -0.2646780E+00 Hb(Abramov) -0.6195195E-01 Ex_ueg -0.5388626E-01 Ec_ueg -0.7830866E-02 Delta_ex -0.5956460E-01 Delta_ec 0.1463946E-01 Delta_et -0.1932669E+00 Pxc 0.6881265E+01 Qxc -0.4068769E+01 3,-1 152 3 -1 1.683355 -1.685276 0.511755 Rho 0.3525462E-01 |GRAD(Rho)| 0.3253703E-13 GRAD(Rho)x 0.2526944E-13 GRAD(Rho)y -0.1688667E-13 GRAD(Rho)z -0.1161698E-13 Laplacian 0.1368538E+00 (-1/4)Del**2(Rho)) -0.3421345E-01 Diamond 0.4184883E-01 Metallicity 0.1908606E+01 Ellipticity 0.1385745E-01 Gb(Abramov) 0.3369230E-01 Vb(Abramov) -0.3317115E-01 Hb(Abramov) 0.5211484E-03 Ex_ueg -0.8537678E-02 Ec_ueg -0.1617697E-02 Delta_ex -0.1023901E-01 Delta_ec 0.3928990E-02 Delta_et -0.3772475E-01 Pxc 0.5277673E+01 Qxc -0.2606015E+01 3,-1 153 3 +3 1.821333 -1.821245 1.819657 Rho 0.1235239E-01 |GRAD(Rho)| 0.2520974E-12 GRAD(Rho)x -0.2262426E-12 GRAD(Rho)y -0.5220727E-13 GRAD(Rho)z 0.9819260E-13 Laplacian 0.5642224E-01 (-1/4)Del**2(Rho)) -0.1410556E-01 Diamond 0.1235565E-02 Metallicity 0.8061476E+00 Ellipticity -0.6624013E+00 Gb(Abramov) 0.1129890E-01 Vb(Abramov) -0.8492241E-02 Hb(Abramov) 0.2806659E-02 Ex_ueg -0.2108886E-02 Ec_ueg -0.4758610E-03 Delta_ex -0.2484155E-02 Delta_ec 0.1779438E-03 Delta_et -0.1763122E-02 Pxc 0.4431727E+01 Qxc -0.1396033E+02 3,+3 154 3 +1 2.094644 -1.231479 1.124117 Rho 0.2445330E-01 |GRAD(Rho)| 0.4940422E-15 GRAD(Rho)x 0.3281784E-15 GRAD(Rho)y 0.2802956E-15 GRAD(Rho)z 0.2404392E-15 Laplacian 0.9723018E-01 (-1/4)Del**2(Rho)) -0.2430755E-01 Diamond 0.1334291E-01 Metallicity 0.1460073E+01 Ellipticity -0.5766379E+01 Gb(Abramov) 0.2212016E-01 Vb(Abramov) -0.1993278E-01 Hb(Abramov) 0.2187384E-02 Ex_ueg -0.5242057E-02 Ec_ueg -0.1061228E-02 Delta_ex -0.6124301E-02 Delta_ec 0.1851124E-02 Delta_et -0.1620216E-01 Pxc 0.4939613E+01 Qxc -0.3308423E+01 3,+1 155 3 -1 2.797227 -1.831125 -0.566815 Rho 0.1373494E+00 |GRAD(Rho)| 0.2610276E-15 GRAD(Rho)x 0.8450001E-16 GRAD(Rho)y -0.2466153E-15 GRAD(Rho)z 0.1326792E-16 Laplacian 0.5786450E+00 (-1/4)Del**2(Rho)) -0.1446612E+00 Diamond 0.1060880E+01 Metallicity 0.4354237E+01 Ellipticity 0.1318467E-01 Gb(Abramov) 0.2014224E+00 Vb(Abramov) -0.2581835E+00 Hb(Abramov) -0.5676114E-01 Ex_ueg -0.5233842E-01 Ec_ueg -0.7638677E-02 Delta_ex -0.6088481E-01 Delta_ec 0.1512275E-01 Delta_et -0.1989755E+00 Pxc 0.6851765E+01 Qxc -0.4026040E+01 3,-1 156 3 -1 3.173060 3.198412 0.056864 Rho 0.2557282E+00 |GRAD(Rho)| 0.2346685E-13 GRAD(Rho)x 0.1753296E-13 GRAD(Rho)y 0.1044065E-13 GRAD(Rho)z 0.1158798E-13 Laplacian 0.9218473E+00 (-1/4)Del**2(Rho)) -0.2304618E+00 Diamond 0.3511856E+01 Metallicity 0.7701675E+01 Ellipticity 0.1072224E-02 Gb(Abramov) 0.4494649E+00 Vb(Abramov) -0.6684680E+00 Hb(Abramov) -0.2190031E+00 Ex_ueg -0.1198827E+00 Ec_ueg -0.1553313E-01 Delta_ex -0.1132104E+00 Delta_ec 0.1991424E-01 Delta_et -0.2759812E+00 Pxc 0.7717873E+01 Qxc -0.5684899E+01 3,-1 157 3 -1 1.811109 0.586391 2.785875 Rho 0.1428703E+00 |GRAD(Rho)| 0.9729094E-12 GRAD(Rho)x -0.6967396E-12 GRAD(Rho)y 0.6410200E-12 GRAD(Rho)z 0.2240536E-12 Laplacian 0.6048732E+00 (-1/4)Del**2(Rho)) -0.1512183E+00 Diamond 0.1160887E+01 Metallicity 0.4448211E+01 Ellipticity 0.8073979E-02 Gb(Abramov) 0.2129207E+00 Vb(Abramov) -0.2746231E+00 Hb(Abramov) -0.6170240E-01 Ex_ueg -0.5516213E-01 Ec_ueg -0.7988684E-02 Delta_ex -0.6423776E-01 Delta_ec 0.1562274E-01 Delta_et -0.2067176E+00 Pxc 0.6905033E+01 Qxc -0.4111812E+01 3,-1 158 3 -1 1.825822 -0.581762 -2.775412 Rho 0.1321015E+00 |GRAD(Rho)| 0.1281746E-15 GRAD(Rho)x -0.1263096E-15 GRAD(Rho)y -0.1431147E-16 GRAD(Rho)z 0.1642566E-16 Laplacian 0.5554770E+00 (-1/4)Del**2(Rho)) -0.1388693E+00 Diamond 0.9554854E+00 Metallicity 0.4250697E+01 Ellipticity 0.6699380E-02 Gb(Abramov) 0.1909614E+00 Vb(Abramov) -0.2430535E+00 Hb(Abramov) -0.5209211E-01 Ex_ueg -0.4968922E-01 Ec_ueg -0.7307799E-02 Delta_ex -0.5770604E-01 Delta_ec 0.1430925E-01 Delta_et -0.1864600E+00 Pxc 0.6799479E+01 Qxc -0.4032779E+01 3,-1 159 3 -1 -3.181773 3.176431 -0.097569 Rho 0.1770692E+00 |GRAD(Rho)| 0.2550149E-13 GRAD(Rho)x 0.1784098E-13 GRAD(Rho)y -0.1683666E-13 GRAD(Rho)z 0.6967951E-14 Laplacian 0.6871931E+00 (-1/4)Del**2(Rho)) -0.1717983E+00 Diamond 0.1728144E+01 Metallicity 0.5598941E+01 Ellipticity 0.1137478E+00 Gb(Abramov) 0.2748469E+00 Vb(Abramov) -0.3778956E+00 Hb(Abramov) -0.1030486E+00 Ex_ueg -0.7343599E-01 Ec_ueg -0.1019830E-01 Delta_ex -0.7713169E-01 Delta_ec 0.1712008E-01 Delta_et -0.2338296E+00 Pxc 0.7200805E+01 Qxc -0.4505336E+01 3,-1 160 3 -1 -1.775514 2.739025 -0.567760 Rho 0.1728295E+00 |GRAD(Rho)| 0.5297391E-16 GRAD(Rho)x -0.8727827E-17 GRAD(Rho)y 0.8334804E-17 GRAD(Rho)z 0.5158092E-16 Laplacian 0.7230791E+00 (-1/4)Del**2(Rho)) -0.1807698E+00 Diamond 0.1718530E+01 Metallicity 0.5110424E+01 Ellipticity 0.1755360E-01 Gb(Abramov) 0.2744816E+00 Vb(Abramov) -0.3681933E+00 Hb(Abramov) -0.9371178E-01 Ex_ueg -0.7110095E-01 Ec_ueg -0.9920609E-02 Delta_ex -0.8027672E-01 Delta_ec 0.1742466E-01 Delta_et -0.2353767E+00 Pxc 0.7166994E+01 Qxc -0.4607075E+01 3,-1 161 3 -1 -2.968639 0.840285 1.987579 Rho 0.1436888E+00 |GRAD(Rho)| 0.3513252E-15 GRAD(Rho)x 0.1758440E-15 GRAD(Rho)y -0.2189953E-15 GRAD(Rho)z 0.2110671E-15 Laplacian 0.5757253E+00 (-1/4)Del**2(Rho)) -0.1439313E+00 Diamond 0.1113838E+01 Metallicity 0.4718124E+01 Ellipticity 0.4425089E-01 Gb(Abramov) 0.2091352E+00 Vb(Abramov) -0.2743390E+00 Hb(Abramov) -0.6520385E-01 Ex_ueg -0.5558388E-01 Ec_ueg -0.8040737E-02 Delta_ex -0.6124107E-01 Delta_ec 0.1487332E-01 Delta_et -0.1970202E+00 Pxc 0.6912784E+01 Qxc -0.4117511E+01 3,-1 162 3 -1 -0.065005 -3.193320 3.198874 Rho 0.2565080E+00 |GRAD(Rho)| 0.9144729E-08 GRAD(Rho)x -0.1511421E-08 GRAD(Rho)y -0.6392432E-08 GRAD(Rho)z 0.6362271E-08 Laplacian 0.9201703E+00 (-1/4)Del**2(Rho)) -0.2300426E+00 Diamond 0.3520178E+01 Metallicity 0.7754964E+01 Ellipticity 0.9721717E-03 Gb(Abramov) 0.4506904E+00 Vb(Abramov) -0.6713382E+00 Hb(Abramov) -0.2206478E+00 Ex_ueg -0.1203704E+00 Ec_ueg -0.1558772E-01 Delta_ex -0.1131040E+00 Delta_ec 0.1987539E-01 Delta_et -0.2755315E+00 Pxc 0.7722128E+01 Qxc -0.5690658E+01 3,-1 163 3 -1 0.567464 2.782189 1.819854 Rho 0.1430289E+00 |GRAD(Rho)| 0.4418446E-13 GRAD(Rho)x -0.2852453E-13 GRAD(Rho)y -0.6493666E-14 GRAD(Rho)z 0.3311269E-13 Laplacian 0.6032928E+00 (-1/4)Del**2(Rho)) -0.1508232E+00 Diamond 0.1157124E+01 Metallicity 0.4468120E+01 Ellipticity 0.9748574E-02 Gb(Abramov) 0.2128648E+00 Vb(Abramov) -0.2749064E+00 Hb(Abramov) -0.6204162E-01 Ex_ueg -0.5524380E-01 Ec_ueg -0.7998769E-02 Delta_ex -0.6406313E-01 Delta_ec 0.1553460E-01 Delta_et -0.2054930E+00 Pxc 0.6906538E+01 Qxc -0.4123900E+01 3,-1 164 3 -1 0.836987 -1.971704 2.969902 Rho 0.1434732E+00 |GRAD(Rho)| 0.7404732E-13 GRAD(Rho)x -0.5427002E-13 GRAD(Rho)y -0.4453363E-13 GRAD(Rho)z -0.2354838E-13 Laplacian 0.5720552E+00 (-1/4)Del**2(Rho)) -0.1430138E+00 Diamond 0.1103828E+01 Metallicity 0.4736527E+01 Ellipticity 0.2850673E-01 Gb(Abramov) 0.2082406E+00 Vb(Abramov) -0.2734675E+00 Hb(Abramov) -0.6522685E-01 Ex_ueg -0.5547273E-01 Ec_ueg -0.8027024E-02 Delta_ex -0.6081871E-01 Delta_ec 0.1476667E-01 Delta_et -0.1955268E+00 Pxc 0.6910747E+01 Qxc -0.4118648E+01 3,-1 165 3 -1 2.953507 1.983392 -0.850451 Rho 0.1402764E+00 |GRAD(Rho)| 0.1877208E-15 GRAD(Rho)x 0.2411672E-16 GRAD(Rho)y 0.2157562E-16 GRAD(Rho)z -0.1849107E-15 Laplacian 0.5566218E+00 (-1/4)Del**2(Rho)) -0.1391555E+00 Diamond 0.1049125E+01 Metallicity 0.4688428E+01 Ellipticity 0.2570432E-01 Gb(Abramov) 0.2015070E+00 Vb(Abramov) -0.2638586E+00 Hb(Abramov) -0.6235158E-01 Ex_ueg -0.5383084E-01 Ec_ueg -0.7823999E-02 Delta_ex -0.5889481E-01 Delta_ec 0.1452054E-01 Delta_et -0.1917712E+00 Pxc 0.6880221E+01 Qxc -0.4055965E+01 3,-1 166 3 -1 0.365782 0.370555 -0.377520 Rho 0.2058145E+00 |GRAD(Rho)| 0.1085218E-11 GRAD(Rho)x -0.6547578E-12 GRAD(Rho)y -0.6189939E-12 GRAD(Rho)z 0.6048444E-12 Laplacian 0.7589868E+00 (-1/4)Del**2(Rho)) -0.1897467E+00 Diamond 0.2493769E+01 Metallicity 0.6513866E+01 Ellipticity 0.4639248E-02 Gb(Abramov) 0.3324953E+00 Vb(Abramov) -0.4752438E+00 Hb(Abramov) -0.1427485E+00 Ex_ueg -0.8974694E-01 Ec_ueg -0.1210807E-01 Delta_ex -0.8983978E-01 Delta_ec 0.2058290E-01 Delta_et -0.2938406E+00 Pxc 0.7412161E+01 Qxc -0.4364778E+01 3,-1 167 3 -1 -4.092025 3.958900 -0.870551 Rho 0.3272926E+00 |GRAD(Rho)| 0.5051566E-15 GRAD(Rho)x 0.5409999E-17 GRAD(Rho)y 0.4049431E-15 GRAD(Rho)z 0.3019520E-15 Laplacian -0.1824683E+01 (-1/4)Del**2(Rho)) 0.4561707E+00 Diamond 0.6405108E+01 Metallicity -0.5870199E+01 Ellipticity 0.1559641E-02 Gb(Abramov) 0.1421883E+00 Vb(Abramov) -0.7405474E+00 Hb(Abramov) -0.5983591E+00 Ex_ueg -0.1665840E+00 Ec_ueg -0.2068278E-01 Delta_ex 0.1838371E+00 Delta_ec 0.6274060E-01 Delta_et -0.1506574E+01 Pxc 0.8054239E+01 Qxc 0.2930114E+01 3,-1 168 3 -1 -1.805352 -2.773652 0.573339 Rho 0.1438908E+00 |GRAD(Rho)| 0.3598472E-15 GRAD(Rho)x -0.3180236E-15 GRAD(Rho)y -0.1122420E-15 GRAD(Rho)z -0.1255100E-15 Laplacian 0.6080965E+00 (-1/4)Del**2(Rho)) -0.1520241E+00 Diamond 0.1175502E+01 Metallicity 0.4477432E+01 Ellipticity 0.9050043E-02 Gb(Abramov) 0.2147957E+00 Vb(Abramov) -0.2775673E+00 Hb(Abramov) -0.6277158E-01 Ex_ueg -0.5568810E-01 Ec_ueg -0.8053591E-02 Delta_ex -0.6467558E-01 Delta_ec 0.1564875E-01 Delta_et -0.2072155E+00 Pxc 0.6914692E+01 Qxc -0.4132956E+01 3,-1 169 3 -1 -0.829131 -1.987929 -2.985385 Rho 0.1316250E+00 |GRAD(Rho)| 0.5943993E-14 GRAD(Rho)x 0.4489586E-14 GRAD(Rho)y -0.3219227E-14 GRAD(Rho)z 0.2193456E-14 Laplacian 0.5252804E+00 (-1/4)Del**2(Rho)) -0.1313201E+00 Diamond 0.9168755E+00 Metallicity 0.4468061E+01 Ellipticity 0.2021022E-01 Gb(Abramov) 0.1853378E+00 Vb(Abramov) -0.2393555E+00 Hb(Abramov) -0.5401768E-01 Ex_ueg -0.4945036E-01 Ec_ueg -0.7277841E-02 Delta_ex -0.5472577E-01 Delta_ec 0.1390831E-01 Delta_et -0.1818373E+00 Pxc 0.6794648E+01 Qxc -0.3934754E+01 3,-1 170 3 -1 -0.832468 -2.969953 -1.978546 Rho 0.1462195E+00 |GRAD(Rho)| 0.4331616E-09 GRAD(Rho)x -0.3190139E-09 GRAD(Rho)y -0.1741051E-09 GRAD(Rho)z 0.2356831E-09 Laplacian 0.5840776E+00 (-1/4)Del**2(Rho)) -0.1460194E+00 Diamond 0.1151835E+01 Metallicity 0.4787968E+01 Ellipticity 0.3288017E-01 Gb(Abramov) 0.2138690E+00 Vb(Abramov) -0.2817185E+00 Hb(Abramov) -0.6784957E-01 Ex_ueg -0.5689297E-01 Ec_ueg -0.8201946E-02 Delta_ex -0.6237335E-01 Delta_ec 0.1498584E-01 Delta_et -0.1989340E+00 Pxc 0.6936521E+01 Qxc -0.4162153E+01 3,-1 171 3 -1 -0.577563 -2.776802 1.806210 Rho 0.1432717E+00 |GRAD(Rho)| 0.2702054E-12 GRAD(Rho)x 0.1741080E-12 GRAD(Rho)y 0.4002831E-13 GRAD(Rho)z 0.2027192E-12 Laplacian 0.6048453E+00 (-1/4)Del**2(Rho)) -0.1512113E+00 Diamond 0.1163254E+01 Metallicity 0.4469265E+01 Ellipticity 0.8054401E-02 Gb(Abramov) 0.2134415E+00 Vb(Abramov) -0.2756716E+00 Hb(Abramov) -0.6223014E-01 Ex_ueg -0.5536885E-01 Ec_ueg -0.8014205E-02 Delta_ex -0.6426291E-01 Delta_ec 0.1558299E-01 Delta_et -0.2062167E+00 Pxc 0.6908839E+01 Qxc -0.4123915E+01 3,-1 172 3 -1 -0.586536 -1.809084 2.788115 Rho 0.1445273E+00 |GRAD(Rho)| 0.6886464E-15 GRAD(Rho)x 0.3644139E-15 GRAD(Rho)y -0.5824876E-15 GRAD(Rho)z -0.4630899E-16 Laplacian 0.6117144E+00 (-1/4)Del**2(Rho)) -0.1529286E+00 Diamond 0.1189795E+01 Metallicity 0.4483812E+01 Ellipticity 0.8471451E-02 Gb(Abramov) 0.2162362E+00 Vb(Abramov) -0.2795439E+00 Hb(Abramov) -0.6330765E-01 Ex_ueg -0.5601677E-01 Ec_ueg -0.8094105E-02 Delta_ex -0.6514117E-01 Delta_ec 0.1574376E-01 Delta_et -0.2086499E+00 Pxc 0.6920687E+01 Qxc -0.4137586E+01 3,-1 173 3 -1 1.825878 -2.790854 -0.567636 Rho 0.1394162E+00 |GRAD(Rho)| 0.3871524E-15 GRAD(Rho)x -0.3242578E-15 GRAD(Rho)y -0.1114899E-15 GRAD(Rho)z -0.1797607E-15 Laplacian 0.5912543E+00 (-1/4)Del**2(Rho)) -0.1478136E+00 Diamond 0.1102384E+01 Metallicity 0.4368786E+01 Ellipticity 0.1076247E-01 Gb(Abramov) 0.2061700E+00 Vb(Abramov) -0.2645265E+00 Hb(Abramov) -0.5835645E-01 Ex_ueg -0.5339114E-01 Ec_ueg -0.7769477E-02 Delta_ex -0.6242390E-01 Delta_ec 0.1537225E-01 Delta_et -0.2026751E+00 Pxc 0.6871909E+01 Qxc -0.4060817E+01 3,-1 174 3 -1 1.980116 -2.982309 0.851052 Rho 0.1496826E+00 |GRAD(Rho)| 0.4761468E-15 GRAD(Rho)x 0.1082847E-16 GRAD(Rho)y -0.3770313E-16 GRAD(Rho)z 0.4745282E-15 Laplacian 0.5992764E+00 (-1/4)Del**2(Rho)) -0.1498191E+00 Diamond 0.1215636E+01 Metallicity 0.4852194E+01 Ellipticity 0.3160094E-01 Gb(Abramov) 0.2210380E+00 Vb(Abramov) -0.2922568E+00 Hb(Abramov) -0.7121887E-01 Ex_ueg -0.5869668E-01 Ec_ueg -0.8423199E-02 Delta_ex -0.6436598E-01 Delta_ec 0.1528950E-01 Delta_et -0.2036492E+00 Pxc 0.6968454E+01 Qxc -0.4209816E+01 3,-1 175 3 -1 2.979269 -1.982660 0.847707 Rho 0.1486349E+00 |GRAD(Rho)| 0.1309538E-15 GRAD(Rho)x 0.9668373E-16 GRAD(Rho)y 0.1283424E-16 GRAD(Rho)z 0.8738670E-16 Laplacian 0.5948503E+00 (-1/4)Del**2(Rho)) -0.1487126E+00 Diamond 0.1196802E+01 Metallicity 0.4831404E+01 Ellipticity 0.3076209E-01 Gb(Abramov) 0.2188902E+00 Vb(Abramov) -0.2890677E+00 Hb(Abramov) -0.7017757E-01 Ex_ueg -0.5814951E-01 Ec_ueg -0.8356184E-02 Delta_ex -0.6378340E-01 Delta_ec 0.1520806E-01 Delta_et -0.2023750E+00 Pxc 0.6958859E+01 Qxc -0.4194054E+01 3,-1 176 3 -1 -2.785881 -0.576244 1.818616 Rho 0.1428443E+00 |GRAD(Rho)| 0.8760456E-13 GRAD(Rho)x 0.2045784E-13 GRAD(Rho)y -0.8495175E-13 GRAD(Rho)z 0.6263843E-14 Laplacian 0.6026121E+00 (-1/4)Del**2(Rho)) -0.1506530E+00 Diamond 0.1154614E+01 Metallicity 0.4463547E+01 Ellipticity 0.9454559E-02 Gb(Abramov) 0.2125098E+00 Vb(Abramov) -0.2743666E+00 Hb(Abramov) -0.6185679E-01 Ex_ueg -0.5514873E-01 Ec_ueg -0.7987030E-02 Delta_ex -0.6397692E-01 Delta_ec 0.1553313E-01 Delta_et -0.2054583E+00 Pxc 0.6904786E+01 Qxc -0.4118739E+01 3,-1 177 3 -1 1.974610 -0.835969 2.967952 Rho 0.1443930E+00 |GRAD(Rho)| 0.2366182E-15 GRAD(Rho)x 0.1562742E-15 GRAD(Rho)y -0.1775110E-15 GRAD(Rho)z 0.7508100E-17 Laplacian 0.5758659E+00 (-1/4)Del**2(Rho)) -0.1439665E+00 Diamond 0.1119532E+01 Metallicity 0.4755565E+01 Ellipticity 0.2953498E-01 Gb(Abramov) 0.2100846E+00 Vb(Abramov) -0.2762028E+00 Hb(Abramov) -0.6611816E-01 Ex_ueg -0.5594741E-01 Ec_ueg -0.8085558E-02 Delta_ex -0.6131723E-01 Delta_ec 0.1483783E-01 Delta_et -0.1966459E+00 Pxc 0.6919425E+01 Qxc -0.4132493E+01 3,-1 178 3 -1 1.999005 0.817444 -2.980561 Rho 0.1159020E+00 |GRAD(Rho)| 0.2320388E-12 GRAD(Rho)x 0.9474450E-13 GRAD(Rho)y -0.1619038E-12 GRAD(Rho)z 0.1365747E-12 Laplacian 0.4573593E+00 (-1/4)Del**2(Rho)) -0.1143398E+00 Diamond 0.6782098E+00 Metallicity 0.4151205E+01 Ellipticity 0.2273193E-01 Gb(Abramov) 0.1553346E+00 Vb(Abramov) -0.1963293E+00 Hb(Abramov) -0.4099473E-01 Ex_ueg -0.4173559E-01 Ec_ueg -0.6298026E-02 Delta_ex -0.4612653E-01 Delta_ec 0.1230317E-01 Delta_et -0.1571027E+00 Pxc 0.6626773E+01 Qxc -0.3749157E+01 3,-1 179 3 -1 -1.975529 -2.959653 -0.845980 Rho 0.1405573E+00 |GRAD(Rho)| 0.7710550E-16 GRAD(Rho)x 0.3332566E-16 GRAD(Rho)y -0.6199604E-16 GRAD(Rho)z -0.3148252E-16 Laplacian 0.5602972E+00 (-1/4)Del**2(Rho)) -0.1400743E+00 Diamond 0.1056632E+01 Metallicity 0.4673231E+01 Ellipticity 0.2442650E-01 Gb(Abramov) 0.2024828E+00 Vb(Abramov) -0.2648913E+00 Hb(Abramov) -0.6240849E-01 Ex_ueg -0.5397464E-01 Ec_ueg -0.7841815E-02 Delta_ex -0.5929122E-01 Delta_ec 0.1457129E-01 Delta_et -0.1924215E+00 Pxc 0.6882927E+01 Qxc -0.4069043E+01 3,-1 180 3 -1 -3.211232 -0.057806 3.208630 Rho 0.2571207E+00 |GRAD(Rho)| 0.1029310E-11 GRAD(Rho)x 0.7219633E-12 GRAD(Rho)y 0.1743514E-12 GRAD(Rho)z -0.7126362E-12 Laplacian 0.9182104E+00 (-1/4)Del**2(Rho)) -0.2295526E+00 Diamond 0.3529593E+01 Metallicity 0.7802479E+01 Ellipticity 0.8923068E-03 Gb(Abramov) 0.4515483E+00 Vb(Abramov) -0.6735440E+00 Hb(Abramov) -0.2219957E+00 Ex_ueg -0.1207539E+00 Ec_ueg -0.1563064E-01 Delta_ex -0.1129671E+00 Delta_ec 0.1987753E-01 Delta_et -0.2758552E+00 Pxc 0.7725460E+01 Qxc -0.5683155E+01 3,-1 181 3 -1 0.080344 -3.205225 -3.188334 Rho 0.2562048E+00 |GRAD(Rho)| 0.3387395E-13 GRAD(Rho)x -0.6008730E-14 GRAD(Rho)y 0.2331501E-13 GRAD(Rho)z 0.2382751E-13 Laplacian 0.9216648E+00 (-1/4)Del**2(Rho)) -0.2304162E+00 Diamond 0.3519991E+01 Metallicity 0.7727145E+01 Ellipticity 0.2252937E-02 Gb(Abramov) 0.4503540E+00 Vb(Abramov) -0.6702918E+00 Hb(Abramov) -0.2199378E+00 Ex_ueg -0.1201807E+00 Ec_ueg -0.1556649E-01 Delta_ex -0.1132481E+00 Delta_ec 0.1990718E-01 Delta_et -0.2759304E+00 Pxc 0.7720475E+01 Qxc -0.5688810E+01 3,-1 182 3 -1 -2.969718 -1.965481 -0.842271 Rho 0.1429091E+00 |GRAD(Rho)| 0.3632279E-14 GRAD(Rho)x 0.9300422E-15 GRAD(Rho)y -0.2149824E-14 GRAD(Rho)z 0.2776100E-14 Laplacian 0.5685415E+00 (-1/4)Del**2(Rho)) -0.1421354E+00 Diamond 0.1094274E+01 Metallicity 0.4734609E+01 Ellipticity 0.2901154E-01 Gb(Abramov) 0.2069162E+00 Vb(Abramov) -0.2716969E+00 Hb(Abramov) -0.6478079E-01 Ex_ueg -0.5518210E-01 Ec_ueg -0.7991151E-02 Delta_ex -0.6041264E-01 Delta_ec 0.1473573E-01 Delta_et -0.1951005E+00 Pxc 0.6905401E+01 Qxc -0.4099738E+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 77 147 172 171 164 151 162 150 146 145 169 170 181 121 139 119 140 93 122 91 124 163 138 120 123 152 155 173 175 174 131 98 132 100 165 101 156 128 66 160 68 59 159 71 111 168 182 179 55 76 144 113 57 134 133 115 176 135 161 117 180 141 142 157 104 177 107 105 102 158 143 178 106 127 88 166 77 167 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 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 54 2.465124 1.925635 1.929408 1.939430 1.946963 1.718985 2.452794 1.926842 1.915264 1.973398 1.931954 1.719388 2.475903 1.939295 2.029706 1.886961 1.936487 1.708822 2.509062 1.923085 1.930258 1.934457 1.947351 1.717841 2.521743 1.946048 1.939359 1.924679 1.921830 1.718121 2.443707 1.926940 1.927382 1.949484 1.941780 1.720051 2.345722 1.857908 1.858653 1.938761 1.928185 1.854018 2.464300 1.926075 1.927657 1.941494 1.947733 1.719476 2.484235 2.027631 1.924084 1.937524 1.902862 1.707906 2.499530 1.930644 1.927652 1.938242 1.938017 1.718101 2.461386 1.930655 1.930076 1.944763 1.936886 1.718918 2.487919 1.909628 1.938092 1.936402 2.002197 1.708556 1.554797 1.553302 1.549360 1.569115 0.981525 2.466153 1.925999 1.929775 1.940081 1.947651 1.718987 2.453812 1.927301 1.915652 1.974071 1.932600 1.719389 2.476920 1.939896 2.030233 1.887644 1.937319 1.708831 2.509982 1.923502 1.930626 1.935098 1.947786 1.717845 2.522653 1.946485 1.939724 1.925308 1.922449 1.718128 2.444815 1.927311 1.927749 1.950121 1.942437 1.720056 2.346683 1.858495 1.859210 1.939607 1.928987 1.855732 2.465342 1.926492 1.928031 1.942151 1.948386 1.719478 2.485214 2.028134 1.924694 1.938372 1.903583 1.707914 2.500468 1.931015 1.928021 1.938672 1.938692 1.718106 2.462428 1.931073 1.930441 1.945410 1.937532 1.718924 2.488882 1.910123 1.938621 1.937261 2.003074 1.708564 1.554805 1.553320 1.549379 1.569170 0.981814 29 23 23 23 26 20 29 25 25 23 23 21 29 23 24 26 27 20 29 26 23 23 24 22 29 25 23 23 23 22 28 23 23 23 23 24 27 23 22 25 23 23 29 25 23 23 23 21 29 24 25 23 23 20 29 23 23 23 25 21 29 26 23 23 23 24 29 23 23 25 23 22 20 22 21 22 18 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 Mo W W W W W Mo 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 P H 2.5358 2.5148 2.3958 2.5308 2.5239 2.5104 2.6415 2.5224 2.4054 2.5327 2.5353 2.3863 -1.0453 -1.0501 -1.0445 -1.0577 -0.9454 -0.9099 -0.8933 -0.9465 -0.9129 -0.9469 -0.8929 -0.9471 -0.8932 -0.9471 -0.9453 -0.9449 -0.9406 -0.9020 -0.9020 -0.9327 -0.9427 -0.8704 -0.9427 -0.8949 -0.9404 -0.9317 -0.9414 -0.9000 -0.7201 -0.7181 -0.6379 -0.7165 -0.7175 -0.7200 -0.6725 -0.7200 -0.6361 -0.7176 -0.7197 -0.6379 2.3621 0.3007 2.0798 2.0823 1.9230 2.0783 2.0787 2.0862 2.0648 2.0829 1.9367 2.0776 2.0800 1.9368 1.8920 1.8931 1.8937 1.8936 1.9355 1.9407 1.9452 1.9358 1.9400 1.9355 1.9434 1.9356 1.9447 1.9356 1.9356 1.9362 1.9479 1.9511 1.9529 1.9495 1.9481 1.9551 1.9473 1.9530 1.9496 1.9500 1.9481 1.9527 1.9783 1.9782 1.9899 1.9793 1.9789 1.9781 1.8787 1.9783 1.9905 1.9790 1.9783 1.9901 2.4892 0.6006 6.0804 6.0858 6.0570 6.0823 6.0827 6.0888 6.0801 6.0854 6.0459 6.0811 6.0804 6.0621 5.1127 5.1158 5.1094 5.1226 4.9792 4.9403 4.9180 4.9800 4.9444 4.9804 4.9231 4.9806 4.9185 4.9808 4.9791 4.9779 4.9589 4.9197 4.9181 4.9496 4.9611 4.8855 4.9618 4.9100 4.9574 4.9481 4.9594 4.9159 4.7024 4.7005 4.6105 4.6975 4.6990 4.7026 4.7615 4.7023 4.6079 4.6990 4.7020 4.6103 7.3134 0.0987 3.2749 3.2882 3.6241 3.2797 3.2859 3.2857 3.1826 3.2804 3.6121 3.2797 3.2754 3.6148 0.0406 0.0411 0.0414 0.0414 0.0308 0.0289 0.0301 0.0307 0.0284 0.0309 0.0264 0.0309 0.0299 0.0307 0.0307 0.0309 0.0338 0.0312 0.0310 0.0335 0.0334 0.0298 0.0335 0.0319 0.0334 0.0336 0.0338 0.0314 0.0394 0.0394 0.0375 0.0396 0.0396 0.0393 0.0323 0.0394 0.0376 0.0396 0.0394 0.0374 0.8353 0.0000 14.0290 14.0289 0.0000 14.0289 14.0288 14.0290 14.0310 14.0289 0.0000 14.0289 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W W Mo W W W W W Mo 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 P H 2.531946 2.528031 3.186690 2.528524 2.527612 2.529480 2.575798 2.529559 3.186846 2.529089 2.532225 3.188559 -1.034741 -1.066105 -1.097485 -1.029901 -0.930135 -1.047991 -0.995791 -0.930612 -1.044315 -0.929734 -1.160880 -0.930233 -0.998384 -0.931052 -0.930330 -0.926562 -0.902426 -1.012992 -1.011315 -0.895339 -0.903271 -1.115789 -0.906013 -1.016441 -0.900792 -0.892277 -0.902631 -1.010304 -0.739308 -0.737205 -0.899049 -0.734417 -0.735594 -0.738967 -0.498689 -0.739208 -0.897561 -0.735949 -0.739007 -0.900871 2.005705 0.169601 1.955497 1.964906 2.391994 1.955574 1.962402 1.961719 1.847251 1.957668 2.388512 1.954739 1.956164 2.385586 -0.774441 -0.825921 -0.874232 -0.753830 -0.694641 -0.798462 -0.755269 -0.694265 -0.794021 -0.696656 -0.895045 -0.696526 -0.757183 -0.695209 -0.692618 -0.693673 -0.722258 -0.809441 -0.810022 -0.688758 -0.727203 -0.892750 -0.727249 -0.807653 -0.724320 -0.685477 -0.725207 -0.805966 -0.619935 -0.608510 -0.639892 -0.612411 -0.610433 -0.610901 -0.626018 -0.615494 -0.641993 -0.614785 -0.619416 -0.646061 1.550336 0.451798 2.052750 2.058950 2.467810 2.048359 2.057816 2.057721 2.068714 2.054583 2.464300 2.048400 2.052601 2.463360 -0.827339 -0.858819 -0.892709 -0.810948 -0.769207 -0.871896 -0.849476 -0.770136 -0.866294 -0.772296 -0.971421 -0.771860 -0.851889 -0.770390 -0.768259 -0.772371 -0.755985 -0.849852 -0.856475 -0.737889 -0.763862 -0.925034 -0.766691 -0.837875 -0.767580 -0.735165 -0.760828 -0.849113 -0.587636 -0.573023 -0.598709 -0.580180 -0.578210 -0.571758 -0.620603 -0.579817 -0.602812 -0.582294 -0.587219 -0.603414 1.523748 0.448223 -7.33535496 7.75621175 -5.04480249 11.80746735 11.12130954 -34.58723675 11.02428881 3.48446199 -13.40629654 -14.60577154 -409.2927 406.0864 -73.9388 -376.1865 -5.0966 -458.4282 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 Apr16-2024 01:45:30 Nodes: 1 Procs: 1 0 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Apr16-2024 01:45:31 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Apr16-2024 01:45:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 01:45:33 Nodes: 1 Procs: 1 Apr16-2024 01:45:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr16-2024 01:45:34 Nodes: 1 Procs: 1 Apr16-2024 01:45:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr16-2024 01:45:38 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.14734116 -16.64724606 -16.04348492 -16.79343232 -16.83353463 -16.84217288 -16.84367012 -16.84514927 -16.84615988 -16.84635974 -16.84658875 -16.84671691 -16.84680135 -16.84683972 -16.84687328 -16.84690481 -16.84691492 -16.84692549 GEOMETRY CONVERGED