ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.04 1.32 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.05 1.87 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:37 Nodes: 1 Procs: 1 Jun10-2024 16:31:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.06 2.14 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:37 Nodes: 1 Procs: 1 Jun10-2024 16:31:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:41 Nodes: 1 Procs: 1 Jun10-2024 16:31:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.22 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:37 Nodes: 1 Procs: 1 Jun10-2024 16:31:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:41 Nodes: 1 Procs: 1 Jun10-2024 16:31:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:45 Nodes: 1 Procs: 1 Jun10-2024 16:31:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:48 Hydrogen (TZP) c2-19 c2-19 c2-19 c2-19 c2-19 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.03 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:37 Nodes: 1 Procs: 1 Jun10-2024 16:31:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:41 Nodes: 1 Procs: 1 Jun10-2024 16:31:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:45 Nodes: 1 Procs: 1 Jun10-2024 16:31:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:31:48 Nodes: 1 Procs: 1 Jun10-2024 16:31:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:55 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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2.629261 2.462872 -0.023749 -2.667605 0.933064 -1.059419 0.915226 -1.078245 -1.040082 -1.042222 0.960350 0.884981 -1.031163 -0.972561 0.947005 0.969195 -2.979657 -1.119103 1.154615 3.005495 -1.139777 -1.148126 -3.013304 1.136345 -1.080759 3.003094 1.206602 1.213723 1.336310 -1.197977 -3.303886 1.097304 1.160020 2.980194 -1.148356 1.127502 -2.974291 -1.158763 -1.154726 3.037409 -1.143610 3.002384 -1.111372 -1.196003 -3.013887 1.194031 1.160513 3.073758 1.146598 1.250943 -3.275976 -1.066020 3.397224 -1.449149 1.595505 -3.467815 -1.564503 -1.565608 3.467252 1.553229 -1.481951 -3.444160 1.491773 1.582013 1.443551 -1.487414 3.475016 1.530273 1.543655 -3.404156 -1.521237 1.524356 3.462041 -1.850402 -1.430300 -3.830019 -1.624128 -3.677539 -1.277456 -1.539899 3.386936 1.543068 1.551862 -3.419767 1.617276 1.506023 3.400477 -1.467601 -0.243346 -3.784458 3.759411 3.843947 -0.151688 -3.742383 -0.214325 3.741748 -3.684942 0.242698 3.798017 3.723638 3.837527 -3.706061 -0.150296 3.827170 3.752494 0.221803 -3.808741 3.700538 -0.212971 -3.921247 -3.611938 0.273601 -3.865765 0.387147 -3.612610 -3.712595 -0.210617 3.816969 3.680201 0.215460 3.845954 -0.659063 -3.446724 -1.296069 1 3 -3 0.087838 -2.613800 2.524899 Rho 0.1240649E+06 3,-3 2 3 -3 -0.048630 2.617618 2.481429 Rho 0.1240649E+06 3,-3 3 3 -3 2.489939 -2.607152 -0.012391 Rho 0.1240648E+06 3,-3 4 3 -3 2.678429 2.500574 -0.132081 Rho 0.1240649E+06 3,-3 5 3 -3 -2.617610 2.468736 0.088359 Rho 0.1240649E+06 3,-3 6 3 -3 2.528762 -0.168118 2.605311 Rho 0.1240649E+06 3,-3 7 3 -3 -0.071327 -0.084729 -0.061760 Rho 0.4276086E+05 3,-3 8 3 -3 0.115343 2.526505 -2.480415 Rho 0.4361414E+07 3,-3 9 3 -3 -2.643792 -2.493316 -0.110956 Rho 0.4361414E+07 3,-3 10 3 -3 -2.497450 -0.245441 -2.713134 Rho 0.4361414E+07 3,-3 11 3 -3 -2.487452 0.150251 2.629261 Rho 0.4361414E+07 3,-3 12 3 -3 2.462872 -0.023749 -2.667605 Rho 0.4361415E+07 3,-3 13 3 -3 0.933064 -1.059419 0.915226 Rho 0.3190424E+03 3,-3 14 3 -3 -1.078245 -1.040082 -1.042222 Rho 0.3190603E+03 3,-3 15 3 -3 0.960350 0.884981 -1.031163 Rho 0.3190239E+03 3,-3 16 3 -3 -0.972561 0.947005 0.969195 Rho 0.3190285E+03 3,-3 17 3 -3 -2.979657 -1.119103 1.154615 Rho 0.3188854E+03 3,-3 18 3 -3 3.005495 -1.139777 -1.148126 Rho 0.3188923E+03 3,-3 19 3 -3 -3.013304 1.136345 -1.080759 Rho 0.3191293E+03 3,-3 20 3 -3 3.003094 1.206602 1.213723 Rho 0.3189950E+03 3,-3 21 3 -3 1.336310 -1.197977 -3.303886 Rho 0.3193420E+03 3,-3 22 3 -3 1.097304 1.160020 2.980194 Rho 0.3190120E+03 3,-3 23 3 -3 -1.148356 1.127502 -2.974291 Rho 0.3188231E+03 3,-3 24 3 -3 -1.158763 -1.154726 3.037409 Rho 0.3189320E+03 3,-3 25 3 -3 -1.143610 3.002384 -1.111372 Rho 0.3189241E+03 3,-3 26 3 -3 -1.196003 -3.013887 1.194031 Rho 0.3189678E+03 3,-3 27 3 -3 1.160513 3.073758 1.146598 Rho 0.3190555E+03 3,-3 28 3 -3 1.250943 -3.275976 -1.066020 Rho 0.3193920E+03 3,-3 29 3 -3 3.397224 -1.449149 1.595505 Rho 0.3191612E+03 3,-3 30 3 -3 -3.467815 -1.564503 -1.565608 Rho 0.3189213E+03 3,-3 31 3 -3 3.467252 1.553229 -1.481951 Rho 0.3191585E+03 3,-3 32 3 -3 -3.444160 1.491773 1.582013 Rho 0.3190027E+03 3,-3 33 3 -3 1.443551 -1.487414 3.475016 Rho 0.3190715E+03 3,-3 34 3 -3 1.530273 1.543655 -3.404156 Rho 0.3189267E+03 3,-3 35 3 -3 -1.521237 1.524356 3.462041 Rho 0.3190248E+03 3,-3 36 3 -3 -1.850402 -1.430300 -3.830019 Rho 0.3192854E+03 3,-3 37 3 -3 -1.624128 -3.677539 -1.277456 Rho 0.3187231E+03 3,-3 38 3 -3 -1.539899 3.386936 1.543068 Rho 0.3190824E+03 3,-3 39 3 -3 1.551862 -3.419767 1.617276 Rho 0.3190875E+03 3,-3 40 3 -3 1.506023 3.400477 -1.467601 Rho 0.3189929E+03 3,-3 41 3 -3 -0.243346 -3.784458 3.759411 Rho 0.3194406E+03 3,-3 42 3 -3 3.843947 -0.151688 -3.742383 Rho 0.3192494E+03 3,-3 43 3 -3 -0.214325 3.741748 -3.684942 Rho 0.3193062E+03 3,-3 44 3 -3 0.242698 3.798017 3.723638 Rho 0.3194097E+03 3,-3 45 3 -3 3.837527 -3.706061 -0.150296 Rho 0.3193939E+03 3,-3 46 3 -3 3.827170 3.752494 0.221803 Rho 0.3194203E+03 3,-3 47 3 -3 -3.808741 3.700538 -0.212971 Rho 0.3194068E+03 3,-3 48 3 -3 -3.921247 -3.611938 0.273601 Rho 0.3193112E+03 3,-3 49 3 -3 -3.865765 0.387147 -3.612610 Rho 0.3192520E+03 3,-3 50 3 -3 -3.712595 -0.210617 3.816969 Rho 0.3192967E+03 3,-3 51 3 -3 3.680201 0.215460 3.845954 Rho 0.3194237E+03 3,-3 52 3 -3 -0.659063 -3.446724 -1.296069 Rho 0.4464026E+00 3,-3 53 3 +1 -2.898012 -0.278651 -0.287072 Rho 0.5929284E-02 |GRAD(Rho)| 0.5597505E-17 GRAD(Rho)x -0.1581882E-17 GRAD(Rho)y -0.3050578E-17 GRAD(Rho)z 0.4418561E-17 Laplacian 0.2465430E-01 (-1/4)Del**2(Rho)) -0.6163575E-02 Diamond 0.5391880E-03 Metallicity 0.5429056E+00 Ellipticity -0.1522204E+01 Gb(Abramov) 0.4666757E-02 Vb(Abramov) -0.3169938E-02 Hb(Abramov) 0.1496818E-02 Ex_ueg -0.7926013E-03 Ec_ueg -0.1871203E-03 Delta_ex -0.1131253E-02 Delta_ec 0.5334309E-03 Delta_et -0.3144858E-02 Pxc 0.4235784E+01 Qxc -0.2120712E+01 3,+1 54 3 +1 -2.188640 1.302734 1.144542 Rho 0.2662324E-01 |GRAD(Rho)| 0.8190445E-17 GRAD(Rho)x 0.6696190E-17 GRAD(Rho)y -0.4705438E-17 GRAD(Rho)z 0.3213919E-18 Laplacian 0.1050409E+00 (-1/4)Del**2(Rho)) -0.2626023E-01 Diamond 0.1503480E-01 Metallicity 0.1557242E+01 Ellipticity -0.3937703E+01 Gb(Abramov) 0.2432241E-01 Vb(Abramov) -0.2238459E-01 Hb(Abramov) 0.1937820E-02 Ex_ueg -0.5871282E-02 Ec_ueg -0.1170784E-02 Delta_ex -0.6649243E-02 Delta_ec 0.1792002E-02 Delta_et -0.1606058E-01 Pxc 0.5014829E+01 Qxc -0.3710510E+01 3,+1 55 3 -1 -1.753141 -0.624988 -1.833645 Rho 0.5397137E-01 |GRAD(Rho)| 0.1717488E-08 GRAD(Rho)x -0.1050661E-08 GRAD(Rho)y 0.5341913E-09 GRAD(Rho)z -0.1249207E-08 Laplacian 0.2159730E+00 (-1/4)Del**2(Rho)) -0.5399325E-01 Diamond 0.1230251E+00 Metallicity 0.2459345E+01 Ellipticity 0.1544940E-01 Gb(Abramov) 0.5812684E-01 Vb(Abramov) -0.6226042E-01 Hb(Abramov) -0.4133585E-02 Ex_ueg -0.1506386E-01 Ec_ueg -0.2635544E-02 Delta_ex -0.1818419E-01 Delta_ec 0.6539469E-02 Delta_et -0.7037681E-01 Pxc 0.5715654E+01 Qxc -0.2780683E+01 3,-1 56 3 +1 -0.269292 -0.525421 -3.160483 Rho 0.3249963E-02 |GRAD(Rho)| 0.1533073E-16 GRAD(Rho)x -0.1495521E-16 GRAD(Rho)y -0.2502575E-17 GRAD(Rho)z -0.2260592E-17 Laplacian 0.1286394E-01 (-1/4)Del**2(Rho)) -0.3215984E-02 Diamond 0.1412287E-03 Metallicity 0.3819764E+00 Ellipticity -0.1485278E+01 Gb(Abramov) 0.2348728E-02 Vb(Abramov) -0.1481472E-02 Hb(Abramov) 0.8672564E-03 Ex_ueg -0.3555409E-03 Ec_ueg -0.7239687E-04 Delta_ex -0.5456431E-03 Delta_ec 0.3255484E-03 Delta_et -0.1585536E-02 Pxc 0.4910998E+01 Qxc -0.1676074E+01 3,+1 57 3 +3 -0.085379 -2.436005 -0.179253 Rho 0.3828262E-02 |GRAD(Rho)| 0.3955374E-14 GRAD(Rho)x 0.2068832E-14 GRAD(Rho)y -0.3255861E-14 GRAD(Rho)z -0.8742361E-15 Laplacian 0.1542331E-01 (-1/4)Del**2(Rho)) -0.3855827E-02 Diamond 0.1008767E-03 Metallicity 0.4185735E+00 Ellipticity -0.3415156E+00 Gb(Abramov) 0.2839542E-02 Vb(Abramov) -0.1823258E-02 Hb(Abramov) 0.1016284E-02 Ex_ueg -0.4423037E-03 Ec_ueg -0.9684196E-04 Delta_ex -0.5297191E-03 Delta_ec 0.1297050E-03 Delta_et -0.7969072E-03 Pxc 0.4567274E+01 Qxc -0.4084029E+01 3,+3 58 3 -1 -3.333996 -3.098083 0.095417 Rho 0.2412077E+00 |GRAD(Rho)| 0.4604026E-15 GRAD(Rho)x 0.3565941E-15 GRAD(Rho)y 0.2898615E-15 GRAD(Rho)z 0.2813505E-16 Laplacian 0.9022055E+00 (-1/4)Del**2(Rho)) -0.2255514E+00 Diamond 0.3189614E+01 Metallicity 0.7138816E+01 Ellipticity 0.1657941E-02 Gb(Abramov) 0.4187292E+00 Vb(Abramov) -0.6119070E+00 Hb(Abramov) -0.1931778E+00 Ex_ueg -0.1108936E+00 Ec_ueg -0.1452264E-01 Delta_ex -0.1090391E+00 Delta_ec 0.1970667E-01 Delta_et -0.2721547E+00 Pxc 0.7635915E+01 Qxc -0.5533104E+01 3,-1 59 3 +1 -1.670594 -0.540203 0.532098 Rho 0.9963808E-02 |GRAD(Rho)| 0.1269323E-16 GRAD(Rho)x 0.6937967E-17 GRAD(Rho)y -0.3516027E-17 GRAD(Rho)z -0.1003097E-16 Laplacian 0.3818817E-01 (-1/4)Del**2(Rho)) -0.9547043E-02 Diamond 0.1263180E-02 Metallicity 0.8325171E+00 Ellipticity -0.1550689E+01 Gb(Abramov) 0.7689375E-02 Vb(Abramov) -0.5831707E-02 Hb(Abramov) 0.1857668E-02 Ex_ueg -0.1583503E-02 Ec_ueg -0.3664065E-03 Delta_ex -0.1816421E-02 Delta_ec 0.5465734E-03 Delta_et -0.3872068E-02 Pxc 0.4321710E+01 Qxc -0.3323289E+01 3,+1 60 3 +3 -1.919731 1.915506 1.942018 Rho 0.1209436E-01 |GRAD(Rho)| 0.3018351E-15 GRAD(Rho)x 0.1715194E-15 GRAD(Rho)y -0.1700970E-15 GRAD(Rho)z -0.1809765E-15 Laplacian 0.5547291E-01 (-1/4)Del**2(Rho)) -0.1386823E-01 Diamond 0.1366985E-02 Metallicity 0.7915966E+00 Ellipticity -0.8154438E+00 Gb(Abramov) 0.1107516E-01 Vb(Abramov) -0.8282089E-02 Hb(Abramov) 0.2793069E-02 Ex_ueg -0.2050355E-02 Ec_ueg -0.4639269E-03 Delta_ex -0.2480770E-02 Delta_ec 0.2708115E-03 Delta_et -0.2378299E-02 Pxc 0.4419565E+01 Qxc -0.9160505E+01 3,+3 61 3 +1 -0.320262 -1.039143 -2.748402 Rho 0.3224748E-02 |GRAD(Rho)| 0.4268496E-11 GRAD(Rho)x 0.5127939E-12 GRAD(Rho)y 0.4957857E-12 GRAD(Rho)z 0.4208480E-11 Laplacian 0.1278884E-01 (-1/4)Del**2(Rho)) -0.3197211E-02 Diamond 0.1197724E-03 Metallicity 0.3792640E+00 Ellipticity -0.1299712E+01 Gb(Abramov) 0.2333572E-02 Vb(Abramov) -0.1469933E-02 Hb(Abramov) 0.8636391E-03 Ex_ueg -0.3518678E-03 Ec_ueg -0.7133514E-04 Delta_ex -0.5096881E-03 Delta_ec 0.2666090E-03 Delta_et -0.1324932E-02 Pxc 0.4932601E+01 Qxc -0.1911744E+01 3,+1 62 3 +1 -2.247237 -1.176049 -1.401344 Rho 0.3130717E-01 |GRAD(Rho)| 0.4166357E-15 GRAD(Rho)x -0.4443971E-16 GRAD(Rho)y -0.4957114E-16 GRAD(Rho)z -0.4112823E-15 Laplacian 0.1293321E+00 (-1/4)Del**2(Rho)) -0.3233302E-01 Diamond 0.2355500E-01 Metallicity 0.1656965E+01 Ellipticity -0.4802651E+01 Gb(Abramov) 0.3048446E-01 Vb(Abramov) -0.2863590E-01 Hb(Abramov) 0.1848561E-02 Ex_ueg -0.7287470E-02 Ec_ueg -0.1411228E-02 Delta_ex -0.8585243E-02 Delta_ec 0.2265526E-02 Delta_et -0.2110299E-01 Pxc 0.5163923E+01 Qxc -0.3789515E+01 3,+1 63 3 -1 -2.994056 -0.940311 -2.092016 Rho 0.1241784E+00 |GRAD(Rho)| 0.6703266E-15 GRAD(Rho)x -0.6330114E-15 GRAD(Rho)y -0.1531571E-15 GRAD(Rho)z 0.1586730E-15 Laplacian 0.4752152E+00 (-1/4)Del**2(Rho)) -0.1188038E+00 Diamond 0.7798623E+00 Metallicity 0.4481942E+01 Ellipticity 0.3048177E-01 Gb(Abramov) 0.1679478E+00 Vb(Abramov) -0.2170919E+00 Hb(Abramov) -0.4914403E-01 Ex_ueg -0.4575583E-01 Ec_ueg -0.6811682E-02 Delta_ex -0.4890526E-01 Delta_ec 0.1290469E-01 Delta_et -0.1673359E+00 Pxc 0.6717259E+01 Qxc -0.3789726E+01 3,-1 64 3 +1 -1.029664 1.422023 2.179120 Rho 0.2476059E-01 |GRAD(Rho)| 0.5926662E-16 GRAD(Rho)x 0.1343008E-16 GRAD(Rho)y -0.2112207E-16 GRAD(Rho)z -0.5372172E-16 Laplacian 0.9556904E-01 (-1/4)Del**2(Rho)) -0.2389226E-01 Diamond 0.1085767E-01 Metallicity 0.1516693E+01 Ellipticity -0.2377049E+01 Gb(Abramov) 0.2196771E-01 Vb(Abramov) -0.2004316E-01 Hb(Abramov) 0.1924550E-02 Ex_ueg -0.5330072E-02 Ec_ueg -0.1076668E-02 Delta_ex -0.5766118E-02 Delta_ec 0.1331594E-02 Delta_et -0.1179583E-01 Pxc 0.4950526E+01 Qxc -0.4330238E+01 3,+1 65 3 +1 -2.908552 0.224915 0.263740 Rho 0.6165071E-02 |GRAD(Rho)| 0.2984654E-16 GRAD(Rho)x -0.4211320E-17 GRAD(Rho)y 0.1883539E-16 GRAD(Rho)z 0.2276639E-16 Laplacian 0.2626211E-01 (-1/4)Del**2(Rho)) -0.6565528E-02 Diamond 0.7075891E-03 Metallicity 0.5438933E+00 Ellipticity -0.2017790E+01 Gb(Abramov) 0.4972176E-02 Vb(Abramov) -0.3378825E-02 Hb(Abramov) 0.1593352E-02 Ex_ueg -0.8349027E-03 Ec_ueg -0.1973901E-03 Delta_ex -0.1287279E-02 Delta_ec 0.6963450E-03 Delta_et -0.4078003E-02 Pxc 0.4229710E+01 Qxc -0.1848623E+01 3,+1 66 3 -1 -2.754943 0.478378 -1.849139 Rho 0.7336743E-01 |GRAD(Rho)| 0.1046325E-13 GRAD(Rho)x 0.7878315E-14 GRAD(Rho)y -0.3482828E-14 GRAD(Rho)z -0.5939835E-14 Laplacian 0.3074631E+00 (-1/4)Del**2(Rho)) -0.7686577E-01 Diamond 0.2627084E+00 Metallicity 0.2881768E+01 Ellipticity 0.6953437E-02 Gb(Abramov) 0.8816207E-01 Vb(Abramov) -0.9945836E-01 Hb(Abramov) -0.1129629E-01 Ex_ueg -0.2268416E-01 Ec_ueg -0.3742364E-02 Delta_ex -0.2791575E-01 Delta_ec 0.9143175E-02 Delta_et -0.1062206E+00 Pxc 0.6061453E+01 Qxc -0.3053179E+01 3,-1 67 3 -1 -3.237319 0.096097 -3.197663 Rho 0.2326998E+00 |GRAD(Rho)| 0.1423431E-12 GRAD(Rho)x -0.8397840E-13 GRAD(Rho)y 0.1019886E-12 GRAD(Rho)z 0.5298615E-13 Laplacian 0.8627467E+00 (-1/4)Del**2(Rho)) -0.2156867E+00 Diamond 0.2934255E+01 Metallicity 0.7031639E+01 Ellipticity 0.2224182E-01 Gb(Abramov) 0.3965629E+00 Vb(Abramov) -0.5774392E+00 Hb(Abramov) -0.1808763E+00 Ex_ueg -0.1057093E+00 Ec_ueg -0.1393593E-01 Delta_ex -0.1033697E+00 Delta_ec 0.1917657E-01 Delta_et -0.2650771E+00 Pxc 0.7585375E+01 Qxc -0.5390415E+01 3,-1 68 3 -1 -2.917533 0.026470 0.049804 Rho 0.6276323E-02 |GRAD(Rho)| 0.5724562E-15 GRAD(Rho)x 0.4943089E-15 GRAD(Rho)y 0.2021513E-15 GRAD(Rho)z 0.2061545E-15 Laplacian 0.2526427E-01 (-1/4)Del**2(Rho)) -0.6316067E-02 Diamond 0.9428435E-03 Metallicity 0.5824813E+00 Ellipticity 0.1146742E+01 Gb(Abramov) 0.4823877E-02 Vb(Abramov) -0.3331686E-02 Hb(Abramov) 0.1492191E-02 Ex_ueg -0.8550513E-03 Ec_ueg -0.2022450E-03 Delta_ex -0.1411411E-02 Delta_ec 0.9704959E-03 Delta_et -0.5573652E-02 Pxc 0.4227798E+01 Qxc -0.1454320E+01 3,-1 69 3 -1 -2.980342 0.860793 2.058997 Rho 0.1399006E+00 |GRAD(Rho)| 0.1760762E-12 GRAD(Rho)x -0.1094553E-12 GRAD(Rho)y -0.3361547E-13 GRAD(Rho)z -0.1337623E-12 Laplacian 0.5501546E+00 (-1/4)Del**2(Rho)) -0.1375387E+00 Diamond 0.1027469E+01 Metallicity 0.4722383E+01 Ellipticity 0.4301618E-01 Gb(Abramov) 0.1999441E+00 Vb(Abramov) -0.2623496E+00 Hb(Abramov) -0.6240548E-01 Ex_ueg -0.5363866E-01 Ec_ueg -0.7800177E-02 Delta_ex -0.5810559E-01 Delta_ec 0.1424151E-01 Delta_et -0.1877626E+00 Pxc 0.6876596E+01 Qxc -0.4080015E+01 3,-1 70 3 +1 0.560799 1.683250 0.463137 Rho 0.6937783E-02 |GRAD(Rho)| 0.1024901E-15 GRAD(Rho)x -0.4581775E-16 GRAD(Rho)y 0.3646973E-16 GRAD(Rho)z 0.8411250E-16 Laplacian 0.2678432E-01 (-1/4)Del**2(Rho)) -0.6696080E-02 Diamond 0.5592359E-03 Metallicity 0.6492825E+00 Ellipticity -0.1419184E+01 Gb(Abramov) 0.5188662E-02 Vb(Abramov) -0.3681243E-02 Hb(Abramov) 0.1507419E-02 Ex_ueg -0.9772658E-03 Ec_ueg -0.2312335E-03 Delta_ex -0.1173953E-02 Delta_ec 0.4027300E-03 Delta_et -0.2581566E-02 Pxc 0.4226315E+01 Qxc -0.2914987E+01 3,+1 71 3 +1 -0.052341 -2.305447 -1.033927 Rho 0.5870257E-02 |GRAD(Rho)| 0.1286768E-14 GRAD(Rho)x -0.6813934E-15 GRAD(Rho)y -0.1084656E-14 GRAD(Rho)z -0.1224570E-15 Laplacian 0.2270410E-01 (-1/4)Del**2(Rho)) -0.5676024E-02 Diamond 0.6472174E-03 Metallicity 0.5797900E+00 Ellipticity -0.3580254E+01 Gb(Abramov) 0.4332500E-02 Vb(Abramov) -0.2988976E-02 Hb(Abramov) 0.1343524E-02 Ex_ueg -0.7820980E-03 Ec_ueg -0.1845536E-03 Delta_ex -0.1157424E-02 Delta_ec 0.7018452E-03 Delta_et -0.4004642E-02 Pxc 0.4237782E+01 Qxc -0.1649115E+01 3,+1 72 3 -1 -2.811869 1.755669 -0.533633 Rho 0.1818113E+00 |GRAD(Rho)| 0.1111000E-12 GRAD(Rho)x 0.8887185E-14 GRAD(Rho)y 0.8613390E-13 GRAD(Rho)z 0.6960724E-13 Laplacian 0.7422798E+00 (-1/4)Del**2(Rho)) -0.1855700E+00 Diamond 0.1849577E+01 Metallicity 0.5416852E+01 Ellipticity 0.2500216E-01 Gb(Abramov) 0.2912475E+00 Vb(Abramov) -0.3969250E+00 Hb(Abramov) -0.1056775E+00 Ex_ueg -0.7606991E-01 Ec_ueg -0.1051013E-01 Delta_ex -0.8327219E-01 Delta_ec 0.1730208E-01 Delta_et -0.2338802E+00 Pxc 0.7237770E+01 Qxc -0.4812841E+01 3,-1 73 3 +1 -0.542639 1.618001 -0.550405 Rho 0.8713678E-02 |GRAD(Rho)| 0.1624542E-16 GRAD(Rho)x 0.7080325E-17 GRAD(Rho)y -0.1355093E-16 GRAD(Rho)z 0.5491363E-17 Laplacian 0.3354404E-01 (-1/4)Del**2(Rho)) -0.8386010E-02 Diamond 0.8984199E-03 Metallicity 0.7579961E+00 Ellipticity -0.1445582E+01 Gb(Abramov) 0.6650101E-02 Vb(Abramov) -0.4914191E-02 Hb(Abramov) 0.1735910E-02 Ex_ueg -0.1324302E-02 Ec_ueg -0.3100692E-03 Delta_ex -0.1530677E-02 Delta_ec 0.4597871E-03 Delta_et -0.3163147E-02 Pxc 0.4270988E+01 Qxc -0.3329099E+01 3,+1 74 3 -1 -1.697191 0.535360 1.759878 Rho 0.4824833E-01 |GRAD(Rho)| 0.2386902E-15 GRAD(Rho)x -0.1264747E-15 GRAD(Rho)y -0.7538381E-16 GRAD(Rho)z 0.1878681E-15 Laplacian 0.1929502E+00 (-1/4)Del**2(Rho)) -0.4823756E-01 Diamond 0.9241810E-01 Metallicity 0.2283696E+01 Ellipticity 0.1360849E-01 Gb(Abramov) 0.5051836E-01 Vb(Abramov) -0.5279916E-01 Hb(Abramov) -0.2280802E-02 Ex_ueg -0.1297263E-01 Ec_ueg -0.2318279E-02 Delta_ex -0.1570586E-01 Delta_ec 0.5688962E-02 Delta_et -0.5941571E-01 Pxc 0.5595802E+01 Qxc -0.2760760E+01 3,-1 75 3 +1 0.168428 -0.194637 2.963302 Rho 0.5603992E-02 |GRAD(Rho)| 0.1376440E-14 GRAD(Rho)x 0.3572665E-15 GRAD(Rho)y -0.1327197E-14 GRAD(Rho)z -0.7413393E-16 Laplacian 0.2332366E-01 (-1/4)Del**2(Rho)) -0.5830915E-02 Diamond 0.5681467E-03 Metallicity 0.5223708E+00 Ellipticity -0.2067180E+01 Gb(Abramov) 0.4394927E-02 Vb(Abramov) -0.2958938E-02 Hb(Abramov) 0.1435988E-02 Ex_ueg -0.7351597E-03 Ec_ueg -0.1729969E-03 Delta_ex -0.1133080E-02 Delta_ec 0.6405831E-03 Delta_et -0.3637375E-02 Pxc 0.4249554E+01 Qxc -0.1768825E+01 3,+1 76 3 -1 -3.063459 -1.989406 -0.889286 Rho 0.1545837E+00 |GRAD(Rho)| 0.2905544E-13 GRAD(Rho)x 0.2554546E-13 GRAD(Rho)y 0.1332994E-13 GRAD(Rho)z -0.3736432E-14 Laplacian 0.5996194E+00 (-1/4)Del**2(Rho)) -0.1499048E+00 Diamond 0.1264771E+01 Metallicity 0.5116939E+01 Ellipticity 0.6941197E-01 Gb(Abramov) 0.2277789E+00 Vb(Abramov) -0.3056529E+00 Hb(Abramov) -0.7787404E-01 Ex_ueg -0.6127311E-01 Ec_ueg -0.8737578E-02 Delta_ex -0.6491963E-01 Delta_ec 0.1518377E-01 Delta_et -0.2031603E+00 Pxc 0.7012596E+01 Qxc -0.4275593E+01 3,-1 77 3 -1 -2.804461 -1.759265 0.568119 Rho 0.1555468E+00 |GRAD(Rho)| 0.6864740E-15 GRAD(Rho)x 0.5410169E-16 GRAD(Rho)y -0.3761368E-15 GRAD(Rho)z -0.5716998E-15 Laplacian 0.6546912E+00 (-1/4)Del**2(Rho)) -0.1636728E+00 Diamond 0.1375030E+01 Metallicity 0.4735272E+01 Ellipticity 0.1943028E-01 Gb(Abramov) 0.2382877E+00 Vb(Abramov) -0.3129027E+00 Hb(Abramov) -0.7461494E-01 Ex_ueg -0.6178262E-01 Ec_ueg -0.8799527E-02 Delta_ex -0.7083665E-01 Delta_ec 0.1627735E-01 Delta_et -0.2173094E+00 Pxc 0.7021130E+01 Qxc -0.4351853E+01 3,-1 78 3 +3 -2.310279 -0.004317 0.006885 Rho 0.5292873E-02 |GRAD(Rho)| 0.8717871E-17 GRAD(Rho)x 0.4941157E-17 GRAD(Rho)y -0.7180849E-17 GRAD(Rho)z 0.1471806E-18 Laplacian 0.2187338E-01 (-1/4)Del**2(Rho)) -0.5468344E-02 Diamond 0.2261725E-03 Metallicity 0.5064266E+00 Ellipticity -0.4027353E+00 Gb(Abramov) 0.4107115E-02 Vb(Abramov) -0.2745886E-02 Hb(Abramov) 0.1361229E-02 Ex_ueg -0.6812509E-03 Ec_ueg -0.1595380E-03 Delta_ex -0.8202976E-03 Delta_ec 0.1901358E-03 Delta_et -0.1250642E-02 Pxc 0.4270147E+01 Qxc -0.4314272E+01 3,+3 79 3 -1 -3.253608 3.126697 -0.071470 Rho 0.2259713E+00 |GRAD(Rho)| 0.6042414E-15 GRAD(Rho)x 0.4735795E-15 GRAD(Rho)y -0.3576241E-15 GRAD(Rho)z 0.1137328E-15 Laplacian 0.8206000E+00 (-1/4)Del**2(Rho)) -0.2051500E+00 Diamond 0.2702053E+01 Metallicity 0.7039965E+01 Ellipticity 0.8472198E-02 Gb(Abramov) 0.3774748E+00 Vb(Abramov) -0.5497996E+00 Hb(Abramov) -0.1723248E+00 Ex_ueg -0.1016536E+00 Ec_ueg -0.1347474E-01 Delta_ex -0.9761873E-01 Delta_ec 0.1847790E-01 Delta_et -0.2554194E+00 Pxc 0.7544011E+01 Qxc -0.5283000E+01 3,-1 80 3 +1 -0.541514 -0.590052 1.659966 Rho 0.8476989E-02 |GRAD(Rho)| 0.4756751E-15 GRAD(Rho)x -0.1960945E-15 GRAD(Rho)y -0.2988905E-15 GRAD(Rho)z 0.3138123E-15 Laplacian 0.3289572E-01 (-1/4)Del**2(Rho)) -0.8223930E-02 Diamond 0.8591248E-03 Metallicity 0.7382608E+00 Ellipticity -0.1438814E+01 Gb(Abramov) 0.6494521E-02 Vb(Abramov) -0.4765112E-02 Hb(Abramov) 0.1729409E-02 Ex_ueg -0.1276558E-02 Ec_ueg -0.2994797E-03 Delta_ex -0.1495458E-02 Delta_ec 0.4595404E-03 Delta_et -0.3132058E-02 Pxc 0.4262587E+01 Qxc -0.3254247E+01 3,+1 81 3 -1 -1.961443 0.885889 3.058320 Rho 0.1704027E+00 |GRAD(Rho)| 0.7795345E-15 GRAD(Rho)x -0.5468174E-15 GRAD(Rho)y -0.4518142E-15 GRAD(Rho)z -0.3233091E-15 Laplacian 0.6637879E+00 (-1/4)Del**2(Rho)) -0.1659470E+00 Diamond 0.1566200E+01 Metallicity 0.5437232E+01 Ellipticity 0.6241341E-01 Gb(Abramov) 0.2610133E+00 Vb(Abramov) -0.3560797E+00 Hb(Abramov) -0.9506637E-01 Ex_ueg -0.6977293E-01 Ec_ueg -0.9762129E-02 Delta_ex -0.7356051E-01 Delta_ec 0.1628237E-01 Delta_et -0.2202434E+00 Pxc 0.7147306E+01 Qxc -0.4517800E+01 3,-1 82 3 +3 -1.152772 1.100281 -1.107904 Rho 0.5394549E-02 |GRAD(Rho)| 0.3229892E-17 GRAD(Rho)x 0.1872907E-17 GRAD(Rho)y -0.1954919E-17 GRAD(Rho)z 0.1761451E-17 Laplacian 0.2100139E-01 (-1/4)Del**2(Rho)) -0.5250347E-02 Diamond 0.1586927E-03 Metallicity 0.5444488E+00 Ellipticity -0.2436589E+00 Gb(Abramov) 0.3976656E-02 Vb(Abramov) -0.2702964E-02 Hb(Abramov) 0.1273692E-02 Ex_ueg -0.6987555E-03 Ec_ueg -0.1639312E-03 Delta_ex -0.7376774E-03 Delta_ec 0.8642829E-04 Delta_et -0.7105084E-03 Pxc 0.4262493E+01 Qxc -0.8535139E+01 3,+3 83 3 +1 -1.697846 0.488829 -0.536472 Rho 0.9517253E-02 |GRAD(Rho)| 0.1301766E-16 GRAD(Rho)x 0.7493290E-17 GRAD(Rho)y -0.6940925E-17 GRAD(Rho)z 0.8070546E-17 Laplacian 0.3643491E-01 (-1/4)Del**2(Rho)) -0.9108727E-02 Diamond 0.1157813E-02 Metallicity 0.8083787E+00 Ellipticity -0.1560712E+01 Gb(Abramov) 0.7299701E-02 Vb(Abramov) -0.5490676E-02 Hb(Abramov) 0.1809025E-02 Ex_ueg -0.1489592E-02 Ec_ueg -0.3462051E-03 Delta_ex -0.1722996E-02 Delta_ec 0.5395726E-03 Delta_et -0.3763877E-02 Pxc 0.4302627E+01 Qxc -0.3193262E+01 3,+1 84 3 +3 0.041451 -0.078814 2.275207 Rho 0.4610050E-02 |GRAD(Rho)| 0.3699984E-14 GRAD(Rho)x -0.2105179E-14 GRAD(Rho)y 0.1444758E-14 GRAD(Rho)z -0.2677832E-14 Laplacian 0.1877959E-01 (-1/4)Del**2(Rho)) -0.4694897E-02 Diamond 0.1554872E-03 Metallicity 0.4685650E+00 Ellipticity -0.4066159E+00 Gb(Abramov) 0.3496576E-02 Vb(Abramov) -0.2298254E-02 Hb(Abramov) 0.1198322E-02 Ex_ueg -0.5666644E-03 Ec_ueg -0.1301705E-03 Delta_ex -0.6738609E-03 Delta_ec 0.1531829E-03 Delta_et -0.9904484E-03 Pxc 0.4353249E+01 Qxc -0.4399059E+01 3,+3 85 3 +1 -1.757797 1.714650 -1.708906 Rho 0.1155306E-01 |GRAD(Rho)| 0.9820170E-17 GRAD(Rho)x -0.8304541E-17 GRAD(Rho)y 0.1283244E-17 GRAD(Rho)z 0.5081696E-17 Laplacian 0.5651871E-01 (-1/4)Del**2(Rho)) -0.1412968E-01 Diamond 0.2154102E-02 Metallicity 0.7198624E+00 Ellipticity -0.1272558E+01 Gb(Abramov) 0.1111502E-01 Vb(Abramov) -0.8100368E-02 Hb(Abramov) 0.3014655E-02 Ex_ueg -0.1928922E-02 Ec_ueg -0.4389764E-03 Delta_ex -0.2751793E-02 Delta_ec 0.7359054E-03 Delta_et -0.5465185E-02 Pxc 0.4394136E+01 Qxc -0.3739330E+01 3,+1 86 3 -1 0.016672 2.969901 0.012972 Rho 0.5729533E-02 |GRAD(Rho)| 0.1838980E-15 GRAD(Rho)x -0.1379222E-15 GRAD(Rho)y 0.8052384E-16 GRAD(Rho)z -0.9116942E-16 Laplacian 0.2289178E-01 (-1/4)Del**2(Rho)) -0.5722945E-02 Diamond 0.7545928E-03 Metallicity 0.5522457E+00 Ellipticity 0.2237266E+01 Gb(Abramov) 0.4342042E-02 Vb(Abramov) -0.2961139E-02 Hb(Abramov) 0.1380903E-02 Ex_ueg -0.7572002E-03 Ec_ueg -0.1784414E-03 Delta_ex -0.1256623E-02 Delta_ec 0.8776890E-03 Delta_et -0.4902997E-02 Pxc 0.4243410E+01 Qxc -0.1431741E+01 3,-1 87 3 -1 -1.821186 -1.727029 -0.561831 Rho 0.5506186E-01 |GRAD(Rho)| 0.3715844E-16 GRAD(Rho)x 0.3482491E-16 GRAD(Rho)y 0.1702536E-17 GRAD(Rho)z 0.1284822E-16 Laplacian 0.2194160E+00 (-1/4)Del**2(Rho)) -0.5485399E-01 Diamond 0.1261879E+00 Metallicity 0.2502821E+01 Ellipticity 0.1796080E-01 Gb(Abramov) 0.5945094E-01 Vb(Abramov) -0.6404790E-01 Hb(Abramov) -0.4596952E-02 Ex_ueg -0.1547104E-01 Ec_ueg -0.2696528E-02 Delta_ex -0.1848262E-01 Delta_ec 0.6490931E-02 Delta_et -0.7016144E-01 Pxc 0.5737394E+01 Qxc -0.2847452E+01 3,-1 88 3 -1 0.078258 -2.179867 -0.991145 Rho 0.5895924E-02 |GRAD(Rho)| 0.7813683E-17 GRAD(Rho)x 0.6826664E-17 GRAD(Rho)y -0.3801210E-17 GRAD(Rho)z -0.3312220E-19 Laplacian 0.2274319E-01 (-1/4)Del**2(Rho)) -0.5685797E-02 Diamond 0.7723025E-03 Metallicity 0.5830176E+00 Ellipticity 0.2840366E+01 Gb(Abramov) 0.4343018E-02 Vb(Abramov) -0.3000239E-02 Hb(Abramov) 0.1342779E-02 Ex_ueg -0.7866609E-03 Ec_ueg -0.1856695E-03 Delta_ex -0.1249980E-02 Delta_ec 0.8629502E-03 Delta_et -0.4865888E-02 Pxc 0.4236888E+01 Qxc -0.1448497E+01 3,-1 89 3 +1 -0.633708 -1.696209 0.500221 Rho 0.9062340E-02 |GRAD(Rho)| 0.1671368E-13 GRAD(Rho)x 0.1370325E-13 GRAD(Rho)y 0.6936432E-14 GRAD(Rho)z 0.6591955E-14 Laplacian 0.3447759E-01 (-1/4)Del**2(Rho)) -0.8619397E-02 Diamond 0.9959718E-03 Metallicity 0.7873060E+00 Ellipticity -0.1504806E+01 Gb(Abramov) 0.6877281E-02 Vb(Abramov) -0.5135166E-02 Hb(Abramov) 0.1742115E-02 Ex_ueg -0.1395422E-02 Ec_ueg -0.3257136E-03 Delta_ex -0.1598251E-02 Delta_ec 0.4889266E-03 Delta_et -0.3384000E-02 Pxc 0.4284199E+01 Qxc -0.3268898E+01 3,+1 90 3 +1 -1.753920 -1.742282 1.778272 Rho 0.1225496E-01 |GRAD(Rho)| 0.4739484E-16 GRAD(Rho)x 0.1737075E-16 GRAD(Rho)y 0.1128410E-16 GRAD(Rho)z 0.4262860E-16 Laplacian 0.6118984E-01 (-1/4)Del**2(Rho)) -0.1529746E-01 Diamond 0.2490116E-02 Metallicity 0.7335910E+00 Ellipticity -0.1241145E+01 Gb(Abramov) 0.1206865E-01 Vb(Abramov) -0.8839846E-02 Hb(Abramov) 0.3228807E-02 Ex_ueg -0.2086737E-02 Ec_ueg -0.4713518E-03 Delta_ex -0.3015075E-02 Delta_ec 0.7774335E-03 Delta_et -0.5872250E-02 Pxc 0.4427133E+01 Qxc -0.3878242E+01 3,+1 91 3 -1 -2.147203 -0.885889 -3.315001 Rho 0.2340991E+00 |GRAD(Rho)| 0.1792629E-11 GRAD(Rho)x -0.6762262E-12 GRAD(Rho)y 0.1215224E-11 GRAD(Rho)z 0.1131135E-11 Laplacian 0.8973609E+00 (-1/4)Del**2(Rho)) -0.2243402E+00 Diamond 0.3040830E+01 Metallicity 0.6828294E+01 Ellipticity 0.1534831E-01 Gb(Abramov) 0.4048703E+00 Vb(Abramov) -0.5854004E+00 Hb(Abramov) -0.1805301E+00 Ex_ueg -0.1065577E+00 Ec_ueg -0.1403215E-01 Delta_ex -0.1075020E+00 Delta_ec 0.1958430E-01 Delta_et -0.2693769E+00 Pxc 0.7593821E+01 Qxc -0.5489195E+01 3,-1 92 3 -1 -2.037634 2.932727 0.851570 Rho 0.1094838E+00 |GRAD(Rho)| 0.8019237E-15 GRAD(Rho)x 0.3746494E-15 GRAD(Rho)y 0.2485364E-15 GRAD(Rho)z 0.6640399E-15 Laplacian 0.4304911E+00 (-1/4)Del**2(Rho)) -0.1076228E+00 Diamond 0.5916380E+00 Metallicity 0.4010810E+01 Ellipticity 0.2852699E-01 Gb(Abramov) 0.1436909E+00 Vb(Abramov) -0.1797591E+00 Hb(Abramov) -0.3606816E-01 Ex_ueg -0.3868283E-01 Ec_ueg -0.5903043E-02 Delta_ex -0.4276823E-01 Delta_ec 0.1161296E-01 Delta_et -0.1465847E+00 Pxc 0.6553031E+01 Qxc -0.3682803E+01 3,-1 93 3 -1 -1.776215 -0.548555 2.827794 Rho 0.1524938E+00 |GRAD(Rho)| 0.1401152E-11 GRAD(Rho)x -0.9819282E-12 GRAD(Rho)y 0.9622721E-12 GRAD(Rho)z -0.2703280E-12 Laplacian 0.6380077E+00 (-1/4)Del**2(Rho)) -0.1595019E+00 Diamond 0.1313174E+01 Metallicity 0.4701188E+01 Ellipticity 0.2225785E-01 Gb(Abramov) 0.2313094E+00 Vb(Abramov) -0.3031168E+00 Hb(Abramov) -0.7180745E-01 Ex_ueg -0.6017111E-01 Ec_ueg -0.8603345E-02 Delta_ex -0.6873993E-01 Delta_ec 0.1602381E-01 Delta_et -0.2135629E+00 Pxc 0.6993921E+01 Qxc -0.4289861E+01 3,-1 94 3 +1 -0.587244 0.468118 -1.665270 Rho 0.9649566E-02 |GRAD(Rho)| 0.1126211E-13 GRAD(Rho)x -0.9315693E-14 GRAD(Rho)y -0.4342250E-14 GRAD(Rho)z -0.4604122E-14 Laplacian 0.3775173E-01 (-1/4)Del**2(Rho)) -0.9437931E-02 Diamond 0.1195304E-02 Metallicity 0.7983426E+00 Ellipticity -0.1506296E+01 Gb(Abramov) 0.7547738E-02 Vb(Abramov) -0.5657545E-02 Hb(Abramov) 0.1890193E-02 Ex_ueg -0.1517267E-02 Ec_ueg -0.3521819E-03 Delta_ex -0.1781029E-02 Delta_ec 0.5403344E-03 Delta_et -0.3796590E-02 Pxc 0.4308192E+01 Qxc -0.3296161E+01 3,+1 95 3 -1 -1.778263 0.483902 -2.835563 Rho 0.1384038E+00 |GRAD(Rho)| 0.2540961E-15 GRAD(Rho)x -0.1560709E-15 GRAD(Rho)y 0.1880007E-15 GRAD(Rho)z 0.6973114E-16 Laplacian 0.5751477E+00 (-1/4)Del**2(Rho)) -0.1437869E+00 Diamond 0.1064478E+01 Metallicity 0.4436906E+01 Ellipticity 0.1439066E-01 Gb(Abramov) 0.2021861E+00 Vb(Abramov) -0.2605853E+00 Hb(Abramov) -0.5839920E-01 Ex_ueg -0.5287482E-01 Ec_ueg -0.7705371E-02 Delta_ex -0.6063230E-01 Delta_ec 0.1500909E-01 Delta_et -0.1977254E+00 Pxc 0.6862073E+01 Qxc -0.4039704E+01 3,-1 96 3 +3 -1.108681 -1.138580 1.160730 Rho 0.5420062E-02 |GRAD(Rho)| 0.5911120E-17 GRAD(Rho)x -0.1359518E-17 GRAD(Rho)y -0.4952464E-17 GRAD(Rho)z 0.2926798E-17 Laplacian 0.2115304E-01 (-1/4)Del**2(Rho)) -0.5288259E-02 Diamond 0.1614713E-03 Metallicity 0.5448131E+00 Ellipticity -0.1457588E+00 Gb(Abramov) 0.4005692E-02 Vb(Abramov) -0.2723124E-02 Hb(Abramov) 0.1282568E-02 Ex_ueg -0.7031653E-03 Ec_ueg -0.1650343E-03 Delta_ex -0.7444827E-03 Delta_ec 0.8793630E-04 Delta_et -0.7207435E-03 Pxc 0.4260721E+01 Qxc -0.8466159E+01 3,+3 97 3 +1 0.534983 0.434623 1.651010 Rho 0.8025813E-02 |GRAD(Rho)| 0.1190670E-16 GRAD(Rho)x 0.5996083E-17 GRAD(Rho)y 0.1023915E-16 GRAD(Rho)z -0.9880838E-18 Laplacian 0.3137692E-01 (-1/4)Del**2(Rho)) -0.7844229E-02 Diamond 0.7826397E-03 Metallicity 0.7065636E+00 Ellipticity -0.1441861E+01 Gb(Abramov) 0.6153228E-02 Vb(Abramov) -0.4462226E-02 Hb(Abramov) 0.1691002E-02 Ex_ueg -0.1186781E-02 Ec_ueg -0.2793631E-03 Delta_ex -0.1417725E-02 Delta_ec 0.4577417E-03 Delta_et -0.3059981E-02 Pxc 0.4248166E+01 Qxc -0.3097217E+01 3,+1 98 3 -1 -1.762597 1.676827 0.519767 Rho 0.4356868E-01 |GRAD(Rho)| 0.5877700E-16 GRAD(Rho)x 0.5770010E-16 GRAD(Rho)y -0.1044392E-16 GRAD(Rho)z 0.4044688E-17 Laplacian 0.1796387E+00 (-1/4)Del**2(Rho)) -0.4490966E-01 Diamond 0.7711054E-01 Metallicity 0.2069367E+01 Ellipticity 0.1589681E-01 Gb(Abramov) 0.4542887E-01 Vb(Abramov) -0.4594808E-01 Hb(Abramov) -0.5192054E-03 Ex_ueg -0.1132273E-01 Ec_ueg -0.2062586E-02 Delta_ex -0.1436760E-01 Delta_ec 0.5505060E-02 Delta_et -0.5600443E-01 Pxc 0.5489576E+01 Qxc -0.2609891E+01 3,-1 99 3 +1 -2.019517 2.010072 2.041354 Rho 0.1215561E-01 |GRAD(Rho)| 0.3469643E-16 GRAD(Rho)x 0.1813895E-16 GRAD(Rho)y -0.7389128E-17 GRAD(Rho)z 0.2863951E-16 Laplacian 0.5652481E-01 (-1/4)Del**2(Rho)) -0.1413120E-01 Diamond 0.1820050E-02 Metallicity 0.7834334E+00 Ellipticity -0.1121097E+01 Gb(Abramov) 0.1126594E-01 Vb(Abramov) -0.8400686E-02 Hb(Abramov) 0.2865258E-02 Ex_ueg -0.2064211E-02 Ec_ueg -0.4667574E-03 Delta_ex -0.2650059E-02 Delta_ec 0.4875747E-03 Delta_et -0.3855356E-02 Pxc 0.4422451E+01 Qxc -0.5435185E+01 3,+1 100 3 +1 0.027924 -3.082999 0.053109 Rho 0.4819992E-02 |GRAD(Rho)| 0.5685155E-17 GRAD(Rho)x -0.5254067E-17 GRAD(Rho)y -0.2160935E-17 GRAD(Rho)z -0.2147681E-18 Laplacian 0.1897673E-01 (-1/4)Del**2(Rho)) -0.4744183E-02 Diamond 0.4489496E-03 Metallicity 0.4994235E+00 Ellipticity -0.5353872E+01 Gb(Abramov) 0.3557681E-02 Vb(Abramov) -0.2371180E-02 Hb(Abramov) 0.1186502E-02 Ex_ueg -0.6013309E-03 Ec_ueg -0.1391746E-03 Delta_ex -0.9638740E-03 Delta_ec 0.6457722E-03 Delta_et -0.3449099E-02 Pxc 0.4320695E+01 Qxc -0.1492591E+01 3,+1 101 3 +3 0.071301 2.245611 -0.006763 Rho 0.4409650E-02 |GRAD(Rho)| 0.1650424E-13 GRAD(Rho)x 0.1250052E-14 GRAD(Rho)y -0.1202771E-13 GRAD(Rho)z -0.1123217E-13 Laplacian 0.1790927E-01 (-1/4)Del**2(Rho)) -0.4477318E-02 Diamond 0.1344922E-03 Metallicity 0.4562561E+00 Ellipticity -0.3192008E+00 Gb(Abramov) 0.3325346E-02 Vb(Abramov) -0.2173374E-02 Hb(Abramov) 0.1151972E-02 Ex_ueg -0.5340606E-03 Ec_ueg -0.1215968E-03 Delta_ex -0.6296654E-03 Delta_ec 0.1360873E-03 Delta_et -0.8867112E-03 Pxc 0.4392063E+01 Qxc -0.4626922E+01 3,+3 102 3 -1 0.800671 -2.008255 3.005211 Rho 0.1167135E+00 |GRAD(Rho)| 0.2247792E-15 GRAD(Rho)x 0.1664725E-15 GRAD(Rho)y 0.1340752E-15 GRAD(Rho)z 0.6954479E-16 Laplacian 0.4507781E+00 (-1/4)Del**2(Rho)) -0.1126945E+00 Diamond 0.6713031E+00 Metallicity 0.4261075E+01 Ellipticity 0.3536723E-01 Gb(Abramov) 0.1551630E+00 Vb(Abramov) -0.1976314E+00 Hb(Abramov) -0.4246846E-01 Ex_ueg -0.4212566E-01 Ec_ueg -0.6348177E-02 Delta_ex -0.4549952E-01 Delta_ec 0.1203742E-01 Delta_et -0.1537911E+00 Pxc 0.6635867E+01 Qxc -0.3779839E+01 3,-1 103 3 +1 -1.356413 2.144421 1.116648 Rho 0.2653507E-01 |GRAD(Rho)| 0.1359814E-13 GRAD(Rho)x -0.1003973E-13 GRAD(Rho)y 0.6806822E-14 GRAD(Rho)z -0.6146569E-14 Laplacian 0.1068961E+00 (-1/4)Del**2(Rho)) -0.2672402E-01 Diamond 0.1630916E-01 Metallicity 0.1521780E+01 Ellipticity -0.6003162E+01 Gb(Abramov) 0.2459402E-01 Vb(Abramov) -0.2246403E-01 Hb(Abramov) 0.2129995E-02 Ex_ueg -0.5845369E-02 Ec_ueg -0.1166309E-02 Delta_ex -0.6868856E-02 Delta_ec 0.2016817E-02 Delta_et -0.1802470E-01 Pxc 0.5011854E+01 Qxc -0.3405791E+01 3,+1 104 3 +1 -0.204007 2.959554 0.224606 Rho 0.5635795E-02 |GRAD(Rho)| 0.1855143E-17 GRAD(Rho)x 0.2433385E-18 GRAD(Rho)y -0.9364305E-19 GRAD(Rho)z -0.1836729E-17 Laplacian 0.2349174E-01 (-1/4)Del**2(Rho)) -0.5872935E-02 Diamond 0.5902146E-03 Metallicity 0.5235482E+00 Ellipticity -0.2223542E+01 Gb(Abramov) 0.4427751E-02 Vb(Abramov) -0.2982567E-02 Hb(Abramov) 0.1445184E-02 Ex_ueg -0.7407278E-03 Ec_ueg -0.1743754E-03 Delta_ex -0.1153335E-02 Delta_ec 0.6644144E-03 Delta_et -0.3770226E-02 Pxc 0.4247891E+01 Qxc -0.1735867E+01 3,+1 105 3 +1 1.738743 1.800330 1.756528 Rho 0.1195906E-01 |GRAD(Rho)| 0.7089681E-13 GRAD(Rho)x 0.2546480E-13 GRAD(Rho)y -0.6102304E-13 GRAD(Rho)z 0.2557520E-13 Laplacian 0.5899396E-01 (-1/4)Del**2(Rho)) -0.1474849E-01 Diamond 0.2341506E-02 Metallicity 0.7305228E+00 Ellipticity -0.1267140E+01 Gb(Abramov) 0.1162801E-01 Vb(Abramov) -0.8507532E-02 Hb(Abramov) 0.3120478E-02 Ex_ueg -0.2019827E-02 Ec_ueg -0.4576792E-03 Delta_ex -0.2893909E-02 Delta_ec 0.7598645E-03 Delta_et -0.5697480E-02 Pxc 0.4413194E+01 Qxc -0.3808454E+01 3,+1 106 3 -1 -1.836744 2.733937 -0.542087 Rho 0.1215717E+00 |GRAD(Rho)| 0.3516630E-14 GRAD(Rho)x -0.2880386E-14 GRAD(Rho)y -0.4829511E-15 GRAD(Rho)z 0.1958781E-14 Laplacian 0.4998890E+00 (-1/4)Del**2(Rho)) -0.1249722E+00 Diamond 0.7814857E+00 Metallicity 0.4112701E+01 Ellipticity 0.7210194E-02 Gb(Abramov) 0.1689771E+00 Vb(Abramov) -0.2129819E+00 Hb(Abramov) -0.4400483E-01 Ex_ueg -0.4447969E-01 Ec_ueg -0.6649390E-02 Delta_ex -0.5094529E-01 Delta_ec 0.1321333E-01 Delta_et -0.1699985E+00 Pxc 0.6689290E+01 Qxc -0.3855597E+01 3,-1 107 3 +3 -0.265658 -0.628485 -2.771785 Rho 0.3102470E-02 |GRAD(Rho)| 0.3081405E-17 GRAD(Rho)x 0.2987083E-17 GRAD(Rho)y 0.1184985E-18 GRAD(Rho)z 0.7472276E-18 Laplacian 0.1232563E-01 (-1/4)Del**2(Rho)) -0.3081408E-02 Diamond 0.9625160E-04 Metallicity 0.3689635E+00 Ellipticity -0.4788917E+00 Gb(Abramov) 0.2243760E-02 Vb(Abramov) -0.1406111E-02 Hb(Abramov) 0.8376480E-03 Ex_ueg -0.3341914E-03 Ec_ueg -0.6619119E-04 Delta_ex -0.4639188E-03 Delta_ec 0.2151643E-03 Delta_et -0.1083562E-02 Pxc 0.5048880E+01 Qxc -0.2156114E+01 3,+3 108 3 -1 -0.561945 -0.542371 -0.533626 Rho 0.1855374E+00 |GRAD(Rho)| 0.1063712E-15 GRAD(Rho)x -0.1040834E-15 GRAD(Rho)y -0.6938894E-17 GRAD(Rho)z -0.2081668E-16 Laplacian 0.4946447E+00 (-1/4)Del**2(Rho)) -0.1236612E+00 Diamond 0.1304379E+01 Metallicity 0.8408248E+01 Ellipticity 0.2568646E-01 Gb(Abramov) 0.2557364E+00 Vb(Abramov) -0.3878117E+00 Hb(Abramov) -0.1320753E+00 Ex_ueg -0.7815564E-01 Ec_ueg -0.1075605E-01 Delta_ex -0.5608895E-01 Delta_ec 0.1202206E-01 Delta_et -0.1645927E+00 Pxc 0.7266203E+01 Qxc -0.4665504E+01 3,-1 109 3 +1 1.635649 -0.587557 -0.553192 Rho 0.8958333E-02 |GRAD(Rho)| 0.1432576E-16 GRAD(Rho)x 0.1033264E-16 GRAD(Rho)y -0.7243343E-17 GRAD(Rho)z -0.6782178E-17 Laplacian 0.3587725E-01 (-1/4)Del**2(Rho)) -0.8969312E-02 Diamond 0.1001077E-02 Metallicity 0.7421745E+00 Ellipticity -0.1417995E+01 Gb(Abramov) 0.7089007E-02 Vb(Abramov) -0.5208702E-02 Hb(Abramov) 0.1880305E-02 Ex_ueg -0.1374109E-02 Ec_ueg -0.3210413E-03 Delta_ex -0.1650100E-02 Delta_ec 0.4941922E-03 Delta_et -0.3421923E-02 Pxc 0.4280164E+01 Qxc -0.3338983E+01 3,+1 110 3 +1 1.672167 0.492781 0.534351 Rho 0.6954133E-02 |GRAD(Rho)| 0.1333735E-16 GRAD(Rho)x 0.1231282E-16 GRAD(Rho)y 0.5037258E-17 GRAD(Rho)z -0.9515787E-18 Laplacian 0.2679557E-01 (-1/4)Del**2(Rho)) -0.6698894E-02 Diamond 0.5704596E-03 Metallicity 0.6515609E+00 Ellipticity -0.1439724E+01 Gb(Abramov) 0.5193385E-02 Vb(Abramov) -0.3687877E-02 Hb(Abramov) 0.1505508E-02 Ex_ueg -0.9803376E-03 Ec_ueg -0.2319527E-03 Delta_ex -0.1180625E-02 Delta_ec 0.4127214E-03 Delta_et -0.2639371E-02 Pxc 0.4226455E+01 Qxc -0.2860586E+01 3,+1 111 3 -1 -0.252259 -1.282984 -3.520634 Rho 0.4612454E-02 |GRAD(Rho)| 0.9363731E-17 GRAD(Rho)x 0.9271409E-17 GRAD(Rho)y 0.1311181E-17 GRAD(Rho)z -0.3536792E-19 Laplacian 0.1794177E-01 (-1/4)Del**2(Rho)) -0.4485443E-02 Diamond 0.5856406E-03 Metallicity 0.4908717E+00 Ellipticity 0.1803802E+00 Gb(Abramov) 0.3357258E-02 Vb(Abramov) -0.2229073E-02 Hb(Abramov) 0.1128185E-02 Ex_ueg -0.5670584E-03 Ec_ueg -0.1302734E-03 Delta_ex -0.1095736E-02 Delta_ec 0.9530886E-03 Delta_et -0.4893883E-02 Pxc 0.4352833E+01 Qxc -0.1149668E+01 3,-1 112 3 +1 2.165411 -1.435615 1.040883 Rho 0.2466613E-01 |GRAD(Rho)| 0.1021983E-13 GRAD(Rho)x -0.3091990E-14 GRAD(Rho)y -0.9674400E-14 GRAD(Rho)z 0.1136044E-14 Laplacian 0.9633818E-01 (-1/4)Del**2(Rho)) -0.2408455E-01 Diamond 0.1187288E-01 Metallicity 0.1495029E+01 Ellipticity -0.2910669E+01 Gb(Abramov) 0.2205755E-01 Vb(Abramov) -0.2003055E-01 Hb(Abramov) 0.2026999E-02 Ex_ueg -0.5302976E-02 Ec_ueg -0.1071919E-02 Delta_ex -0.5915398E-02 Delta_ec 0.1536862E-02 Delta_et -0.1354521E-01 Pxc 0.4947180E+01 Qxc -0.3849011E+01 3,+1 113 3 -1 0.010604 -3.393503 -1.199326 Rho 0.2427201E-01 |GRAD(Rho)| 0.6439207E-14 GRAD(Rho)x -0.5724296E-14 GRAD(Rho)y 0.1594801E-14 GRAD(Rho)z 0.2480409E-14 Laplacian 0.8197731E-01 (-1/4)Del**2(Rho)) -0.2049433E-01 Diamond 0.2462226E-01 Metallicity 0.1710393E+01 Ellipticity 0.9606248E-02 Gb(Abramov) 0.1950511E-01 Vb(Abramov) -0.1851589E-01 Hb(Abramov) 0.9892171E-03 Ex_ueg -0.5190304E-02 Ec_ueg -0.1052131E-02 Delta_ex -0.6677124E-02 Delta_ec 0.4281006E-02 Delta_et -0.3678687E-01 Pxc 0.4933133E+01 Qxc -0.1559709E+01 3,-1 114 3 -1 -0.875390 -3.496441 -1.290800 Rho 0.3236068E+00 |GRAD(Rho)| 0.7281638E-10 GRAD(Rho)x -0.4557437E-10 GRAD(Rho)y 0.3949996E-10 GRAD(Rho)z 0.4080386E-10 Laplacian -0.1686589E+01 (-1/4)Del**2(Rho)) 0.4216472E+00 Diamond 0.5874538E+01 Metallicity -0.6232086E+01 Ellipticity 0.2955657E-02 Gb(Abramov) 0.1568588E+00 Vb(Abramov) -0.7353648E+00 Hb(Abramov) -0.5785060E+00 Ex_ueg -0.1640874E+00 Ec_ueg -0.2041060E-01 Delta_ex 0.1690520E+00 Delta_ec 0.5820777E-01 Delta_et -0.1390434E+01 Pxc 0.8039323E+01 Qxc 0.2904286E+01 3,-1 115 3 -1 -0.506521 0.411027 0.434603 Rho 0.1795033E+00 |GRAD(Rho)| 0.1410435E-13 GRAD(Rho)x 0.7546047E-14 GRAD(Rho)y -0.8496676E-14 GRAD(Rho)z -0.8354428E-14 Laplacian 0.4699620E+00 (-1/4)Del**2(Rho)) -0.1174905E+00 Diamond 0.1202831E+01 Metallicity 0.8375381E+01 Ellipticity 0.2089328E-02 Gb(Abramov) 0.2423316E+00 Vb(Abramov) -0.3671728E+00 Hb(Abramov) -0.1248411E+00 Ex_ueg -0.7478510E-01 Ec_ueg -0.1035821E-01 Delta_ex -0.5294112E-01 Delta_ec 0.1168693E-01 Delta_et -0.1599300E+00 Pxc 0.7219890E+01 Qxc -0.4529943E+01 3,-1 116 3 +1 -0.166567 0.144587 2.931981 Rho 0.5739296E-02 |GRAD(Rho)| 0.5946614E-17 GRAD(Rho)x 0.3223665E-17 GRAD(Rho)y 0.4876767E-17 GRAD(Rho)z 0.1089654E-17 Laplacian 0.2343050E-01 (-1/4)Del**2(Rho)) -0.5857625E-02 Diamond 0.6699475E-03 Metallicity 0.5410815E+00 Ellipticity -0.5554319E+01 Gb(Abramov) 0.4433325E-02 Vb(Abramov) -0.3009026E-02 Hb(Abramov) 0.1424299E-02 Ex_ueg -0.7589210E-03 Ec_ueg -0.1788652E-03 Delta_ex -0.1206112E-02 Delta_ec 0.7546460E-03 Delta_et -0.4264709E-02 Pxc 0.4242978E+01 Qxc -0.1598249E+01 3,+1 117 3 -1 -0.502853 1.749098 1.694075 Rho 0.4036252E-01 |GRAD(Rho)| 0.4276013E-16 GRAD(Rho)x 0.1159450E-16 GRAD(Rho)y -0.5343507E-17 GRAD(Rho)z -0.4080984E-16 Laplacian 0.1666469E+00 (-1/4)Del**2(Rho)) -0.4166173E-01 Diamond 0.6466678E-01 Metallicity 0.1963871E+01 Ellipticity 0.4430534E-01 Gb(Abramov) 0.4141086E-01 Vb(Abramov) -0.4115999E-01 Hb(Abramov) 0.2508667E-03 Ex_ueg -0.1022561E-01 Ec_ueg -0.1889520E-02 Delta_ex -0.1309008E-01 Delta_ec 0.5129064E-02 Delta_et -0.5111699E-01 Pxc 0.5411751E+01 Qxc -0.2552139E+01 3,-1 118 3 -1 -0.556731 1.778969 -2.728119 Rho 0.1360682E+00 |GRAD(Rho)| 0.1710609E-15 GRAD(Rho)x -0.9635847E-16 GRAD(Rho)y -0.1125131E-15 GRAD(Rho)z 0.8554355E-16 Laplacian 0.5796497E+00 (-1/4)Del**2(Rho)) -0.1449124E+00 Diamond 0.1040726E+01 Metallicity 0.4279325E+01 Ellipticity 0.1017093E-01 Gb(Abramov) 0.1999629E+00 Vb(Abramov) -0.2550133E+00 Hb(Abramov) -0.5505042E-01 Ex_ueg -0.5168850E-01 Ec_ueg -0.7557734E-02 Delta_ex -0.6073761E-01 Delta_ec 0.1497876E-01 Delta_et -0.1963875E+00 Pxc 0.6839153E+01 Qxc -0.4054915E+01 3,-1 119 3 +3 1.102809 1.101517 1.029485 Rho 0.4310770E-02 |GRAD(Rho)| 0.6325415E-17 GRAD(Rho)x -0.2699877E-17 GRAD(Rho)y -0.1709369E-17 GRAD(Rho)z -0.5458901E-17 Laplacian 0.1671184E-01 (-1/4)Del**2(Rho)) -0.4177961E-02 Diamond 0.1051896E-03 Metallicity 0.4708112E+00 Ellipticity -0.2669856E+00 Gb(Abramov) 0.3113146E-02 Vb(Abramov) -0.2048331E-02 Hb(Abramov) 0.1064815E-02 Ex_ueg -0.5181532E-03 Ec_ueg -0.1173741E-03 Delta_ex -0.5654248E-03 Delta_ec 0.9364927E-04 Delta_et -0.6636901E-03 Pxc 0.4414546E+01 Qxc -0.6037685E+01 3,+3 120 3 -1 -0.596480 -2.803144 1.819267 Rho 0.1486374E+00 |GRAD(Rho)| 0.2605186E-11 GRAD(Rho)x -0.1770971E-11 GRAD(Rho)y -0.5424744E-12 GRAD(Rho)z -0.1832042E-11 Laplacian 0.6205680E+00 (-1/4)Del**2(Rho)) -0.1551420E+00 Diamond 0.1220363E+01 Metallicity 0.4631313E+01 Ellipticity 0.3739113E-01 Gb(Abramov) 0.2231799E+00 Vb(Abramov) -0.2912177E+00 Hb(Abramov) -0.6803786E-01 Ex_ueg -0.5815084E-01 Ec_ueg -0.8356347E-02 Delta_ex -0.6625687E-01 Delta_ec 0.1535769E-01 Delta_et -0.2032170E+00 Pxc 0.6958883E+01 Qxc -0.4314247E+01 3,-1 121 3 -1 -1.873658 -2.752562 0.578189 Rho 0.1157165E+00 |GRAD(Rho)| 0.3498398E-15 GRAD(Rho)x -0.2019394E-15 GRAD(Rho)y 0.1123267E-15 GRAD(Rho)z -0.2626615E-15 Laplacian 0.4744014E+00 (-1/4)Del**2(Rho)) -0.1186004E+00 Diamond 0.7067658E+00 Metallicity 0.3991408E+01 Ellipticity 0.2382990E-01 Gb(Abramov) 0.1579640E+00 Vb(Abramov) -0.1973276E+00 Hb(Abramov) -0.3936362E-01 Ex_ueg -0.4164654E-01 Ec_ueg -0.6286567E-02 Delta_ex -0.4789241E-01 Delta_ec 0.1288296E-01 Delta_et -0.1646408E+00 Pxc 0.6624687E+01 Qxc -0.3717501E+01 3,-1 122 3 -1 -0.565727 -1.839703 2.778903 Rho 0.1179661E+00 |GRAD(Rho)| 0.3099761E-13 GRAD(Rho)x 0.1969177E-13 GRAD(Rho)y -0.2354793E-13 GRAD(Rho)z -0.4310530E-14 Laplacian 0.4895201E+00 (-1/4)Del**2(Rho)) -0.1223800E+00 Diamond 0.7365667E+00 Metallicity 0.3994277E+01 Ellipticity 0.2148344E-02 Gb(Abramov) 0.1630567E+00 Vb(Abramov) -0.2037333E+00 Hb(Abramov) -0.4067662E-01 Ex_ueg -0.4272954E-01 Ec_ueg -0.6425681E-02 Delta_ex -0.4951039E-01 Delta_ec 0.1299415E-01 Delta_et -0.1662526E+00 Pxc 0.6649807E+01 Qxc -0.3810207E+01 3,-1 123 3 +1 0.321035 -1.953193 -0.746013 Rho 0.5698963E-02 |GRAD(Rho)| 0.4687725E-17 GRAD(Rho)x 0.4221303E-17 GRAD(Rho)y -0.1711340E-17 GRAD(Rho)z 0.1107554E-17 Laplacian 0.2224119E-01 (-1/4)Del**2(Rho)) -0.5560299E-02 Diamond 0.5400822E-03 Metallicity 0.5633540E+00 Ellipticity -0.2226340E+01 Gb(Abramov) 0.4228935E-02 Vb(Abramov) -0.2897572E-02 Hb(Abramov) 0.1331363E-02 Ex_ueg -0.7518182E-03 Ec_ueg -0.1771149E-03 Delta_ex -0.1073237E-02 Delta_ec 0.5912223E-03 Delta_et -0.3382725E-02 Pxc 0.4244804E+01 Qxc -0.1815286E+01 3,+1 124 3 -1 -0.557971 2.761184 -1.747606 Rho 0.1477351E+00 |GRAD(Rho)| 0.1711060E-15 GRAD(Rho)x 0.9557242E-16 GRAD(Rho)y 0.2985622E-16 GRAD(Rho)z -0.1387508E-15 Laplacian 0.6155225E+00 (-1/4)Del**2(Rho)) -0.1538806E+00 Diamond 0.1216971E+01 Metallicity 0.4622131E+01 Ellipticity 0.1297787E-01 Gb(Abramov) 0.2211298E+00 Vb(Abramov) -0.2883790E+00 Hb(Abramov) -0.6724920E-01 Ex_ueg -0.5768065E-01 Ec_ueg -0.8298689E-02 Delta_ex -0.6577555E-01 Delta_ec 0.1553470E-01 Delta_et -0.2060369E+00 Pxc 0.6950574E+01 Qxc -0.4234105E+01 3,-1 125 3 -1 -0.839421 3.003612 1.975711 Rho 0.1428589E+00 |GRAD(Rho)| 0.3269679E-15 GRAD(Rho)x 0.3050132E-15 GRAD(Rho)y -0.6694271E-16 GRAD(Rho)z -0.9692090E-16 Laplacian 0.5498028E+00 (-1/4)Del**2(Rho)) -0.1374507E+00 Diamond 0.1042201E+01 Metallicity 0.4893109E+01 Ellipticity 0.5399693E-01 Gb(Abramov) 0.2037273E+00 Vb(Abramov) -0.2700040E+00 Hb(Abramov) -0.6627664E-01 Ex_ueg -0.5515624E-01 Ec_ueg -0.7987957E-02 Delta_ex -0.5825106E-01 Delta_ec 0.1395594E-01 Delta_et -0.1841382E+00 Pxc 0.6904924E+01 Qxc -0.4173925E+01 3,-1 126 3 -1 -0.819508 2.031902 2.976055 Rho 0.9636942E-01 |GRAD(Rho)| 0.1454204E-13 GRAD(Rho)x -0.6357657E-14 GRAD(Rho)y -0.1179778E-13 GRAD(Rho)z -0.5644778E-14 Laplacian 0.3768283E+00 (-1/4)Del**2(Rho)) -0.9420708E-01 Diamond 0.4436840E+00 Metallicity 0.3704262E+01 Ellipticity 0.2122107E-01 Gb(Abramov) 0.1209660E+00 Vb(Abramov) -0.1477249E+00 Hb(Abramov) -0.2675892E-01 Ex_ueg -0.3263152E-01 Ec_ueg -0.5105654E-02 Delta_ex -0.3632744E-01 Delta_ec 0.1044807E-01 Delta_et -0.1286594E+00 Pxc 0.6391253E+01 Qxc -0.3476952E+01 3,-1 127 3 -1 0.524931 1.667290 -1.720329 Rho 0.5292701E-01 |GRAD(Rho)| 0.6213962E-16 GRAD(Rho)x -0.7405186E-17 GRAD(Rho)y -0.2101997E-16 GRAD(Rho)z 0.5800566E-16 Laplacian 0.2130231E+00 (-1/4)Del**2(Rho)) -0.5325578E-01 Diamond 0.1158722E+00 Metallicity 0.2413507E+01 Ellipticity 0.1339976E-01 Gb(Abramov) 0.5692606E-01 Vb(Abramov) -0.6059633E-01 Hb(Abramov) -0.3670276E-02 Ex_ueg -0.1467647E-01 Ec_ueg -0.2577296E-02 Delta_ex -0.1775607E-01 Delta_ec 0.6287574E-02 Delta_et -0.6726980E-01 Pxc 0.5694522E+01 Qxc -0.2823994E+01 3,-1 128 3 +1 0.182859 2.979323 -0.147131 Rho 0.5683975E-02 |GRAD(Rho)| 0.2258197E-15 GRAD(Rho)x -0.2134011E-15 GRAD(Rho)y 0.5035341E-16 GRAD(Rho)z -0.5402835E-16 Laplacian 0.2336337E-01 (-1/4)Del**2(Rho)) -0.5840843E-02 Diamond 0.6184735E-03 Metallicity 0.5339467E+00 Ellipticity -0.2670390E+01 Gb(Abramov) 0.4413678E-02 Vb(Abramov) -0.2986514E-02 Hb(Abramov) 0.1427165E-02 Ex_ueg -0.7491830E-03 Ec_ueg -0.1764647E-03 Delta_ex -0.1168369E-02 Delta_ec 0.6953227E-03 Delta_et -0.3940276E-02 Pxc 0.4245511E+01 Qxc -0.1680326E+01 3,+1 129 3 -1 -0.100332 0.076339 2.935437 Rho 0.5742418E-02 |GRAD(Rho)| 0.1918354E-16 GRAD(Rho)x -0.7891960E-17 GRAD(Rho)y 0.1706317E-16 GRAD(Rho)z 0.3817504E-17 Laplacian 0.2311759E-01 (-1/4)Del**2(Rho)) -0.5779397E-02 Diamond 0.7256381E-03 Metallicity 0.5489026E+00 Ellipticity 0.5032834E+01 Gb(Abramov) 0.4381652E-02 Vb(Abramov) -0.2983907E-02 Hb(Abramov) 0.1397745E-02 Ex_ueg -0.7594714E-03 Ec_ueg -0.1790006E-03 Delta_ex -0.1239661E-02 Delta_ec 0.8329993E-03 Delta_et -0.4673939E-02 Pxc 0.4242842E+01 Qxc -0.1488190E+01 3,-1 130 3 -1 -0.087983 -3.238883 3.184476 Rho 0.2295965E+00 |GRAD(Rho)| 0.1749054E-13 GRAD(Rho)x -0.5224526E-14 GRAD(Rho)y -0.1325329E-13 GRAD(Rho)z 0.1014759E-13 Laplacian 0.8362185E+00 (-1/4)Del**2(Rho)) -0.2090546E+00 Diamond 0.2809041E+01 Metallicity 0.7094177E+01 Ellipticity 0.1285297E-02 Gb(Abramov) 0.3865482E+00 Vb(Abramov) -0.5640417E+00 Hb(Abramov) -0.1774935E+00 Ex_ueg -0.1038338E+00 Ec_ueg -0.1372291E-01 Delta_ex -0.9990163E-01 Delta_ec 0.1876661E-01 Delta_et -0.2597080E+00 Pxc 0.7566454E+01 Qxc -0.5323371E+01 3,-1 131 3 +3 0.762488 -1.491888 -1.513950 Rho 0.3001460E-02 |GRAD(Rho)| 0.3557771E-17 GRAD(Rho)x 0.2285161E-17 GRAD(Rho)y 0.1122151E-17 GRAD(Rho)z -0.2485268E-17 Laplacian 0.1168375E-01 (-1/4)Del**2(Rho)) -0.2920937E-02 Diamond 0.6128602E-04 Metallicity 0.3683426E+00 Ellipticity -0.8483449E+00 Gb(Abramov) 0.2126609E-02 Vb(Abramov) -0.1332281E-02 Hb(Abramov) 0.7943280E-03 Ex_ueg -0.3197632E-03 Ec_ueg -0.6194810E-04 Delta_ex -0.3889886E-03 Delta_ec 0.1188997E-03 Delta_et -0.6568842E-03 Pxc 0.5161792E+01 Qxc -0.3271571E+01 3,+3 132 3 +1 1.331969 1.058377 -2.206030 Rho 0.2992948E-01 |GRAD(Rho)| 0.2189686E-14 GRAD(Rho)x 0.1546323E-14 GRAD(Rho)y -0.7039058E-15 GRAD(Rho)z -0.1381350E-14 Laplacian 0.1203807E+00 (-1/4)Del**2(Rho)) -0.3009517E-01 Diamond 0.2063054E-01 Metallicity 0.1651537E+01 Ellipticity -0.5220436E+01 Gb(Abramov) 0.2834733E-01 Vb(Abramov) -0.2659949E-01 Hb(Abramov) 0.1747842E-02 Ex_ueg -0.6863052E-02 Ec_ueg -0.1339970E-02 Delta_ex -0.7896848E-02 Delta_ec 0.2112366E-02 Delta_et -0.1946578E-01 Pxc 0.5121794E+01 Qxc -0.3738390E+01 3,+1 133 3 +1 0.578274 -1.654960 -1.682244 Rho 0.3038432E-02 |GRAD(Rho)| 0.2173904E-16 GRAD(Rho)x -0.1798439E-17 GRAD(Rho)y -0.1385960E-16 GRAD(Rho)z 0.1665121E-16 Laplacian 0.1165777E-01 (-1/4)Del**2(Rho)) -0.2914443E-02 Diamond 0.7752677E-04 Metallicity 0.3767732E+00 Ellipticity -0.1121731E+01 Gb(Abramov) 0.2125976E-02 Vb(Abramov) -0.1337509E-02 Hb(Abramov) 0.7884671E-03 Ex_ueg -0.3250257E-03 Ec_ueg -0.6350050E-04 Delta_ex -0.4169812E-03 Delta_ec 0.1681032E-03 Delta_et -0.8680905E-03 Pxc 0.5118474E+01 Qxc -0.2480508E+01 3,+1 134 3 +1 2.941707 -0.134311 0.196086 Rho 0.4733153E-02 |GRAD(Rho)| 0.5607158E-17 GRAD(Rho)x 0.2112763E-17 GRAD(Rho)y -0.5133127E-17 GRAD(Rho)z -0.7921240E-18 Laplacian 0.1924592E-01 (-1/4)Del**2(Rho)) -0.4811480E-02 Diamond 0.4052627E-03 Metallicity 0.4777404E+00 Ellipticity -0.2452394E+01 Gb(Abramov) 0.3590760E-02 Vb(Abramov) -0.2370040E-02 Hb(Abramov) 0.1220720E-02 Ex_ueg -0.5869292E-03 Ec_ueg -0.1354474E-03 Delta_ex -0.9352110E-03 Delta_ec 0.5852443E-03 Delta_et -0.3134872E-02 Pxc 0.4333263E+01 Qxc -0.1597984E+01 3,+1 135 3 -1 0.498000 -1.803133 1.686979 Rho 0.4509908E-01 |GRAD(Rho)| 0.2718515E-14 GRAD(Rho)x 0.1719072E-14 GRAD(Rho)y 0.3413587E-15 GRAD(Rho)z 0.2078121E-14 Laplacian 0.1867424E+00 (-1/4)Del**2(Rho)) -0.4668561E-01 Diamond 0.8402509E-01 Metallicity 0.2108546E+01 Ellipticity 0.2049799E-01 Gb(Abramov) 0.4753019E-01 Vb(Abramov) -0.4837478E-01 Hb(Abramov) -0.8445867E-03 Ex_ueg -0.1185610E-01 Ec_ueg -0.2145816E-02 Delta_ex -0.1506500E-01 Delta_ec 0.5722703E-02 Delta_et -0.5875940E-01 Pxc 0.5525220E+01 Qxc -0.2632497E+01 3,-1 136 3 +1 1.257296 -1.180352 2.162359 Rho 0.2413918E-01 |GRAD(Rho)| 0.1319401E-16 GRAD(Rho)x 0.9049942E-17 GRAD(Rho)y -0.9237409E-17 GRAD(Rho)z -0.2617395E-17 Laplacian 0.9484911E-01 (-1/4)Del**2(Rho)) -0.2371228E-01 Diamond 0.1276870E-01 Metallicity 0.1464819E+01 Ellipticity -0.5756729E+01 Gb(Abramov) 0.2159722E-01 Vb(Abramov) -0.1948216E-01 Hb(Abramov) 0.2115058E-02 Ex_ueg -0.5152465E-02 Ec_ueg -0.1045472E-02 Delta_ex -0.5952048E-02 Delta_ec 0.1802048E-02 Delta_et -0.1572157E-01 Pxc 0.4928365E+01 Qxc -0.3302935E+01 3,+1 137 3 -1 0.595407 2.841095 1.770828 Rho 0.1628985E+00 |GRAD(Rho)| 0.8211393E-12 GRAD(Rho)x -0.5418978E-12 GRAD(Rho)y -0.9498274E-13 GRAD(Rho)z 0.6095858E-12 Laplacian 0.6689695E+00 (-1/4)Del**2(Rho)) -0.1672424E+00 Diamond 0.1471287E+01 Metallicity 0.5004976E+01 Ellipticity 0.3322401E-01 Gb(Abramov) 0.2510023E+00 Vb(Abramov) -0.3347622E+00 Hb(Abramov) -0.8375989E-01 Ex_ueg -0.6570643E-01 Ec_ueg -0.9274253E-02 Delta_ex -0.7309261E-01 Delta_ec 0.1621740E-01 Delta_et -0.2171886E+00 Pxc 0.7084822E+01 Qxc -0.4507049E+01 3,-1 138 3 -1 -0.061697 3.182979 -3.131493 Rho 0.2404663E+00 |GRAD(Rho)| 0.3611424E-10 GRAD(Rho)x -0.6816868E-11 GRAD(Rho)y 0.2517585E-10 GRAD(Rho)z -0.2497890E-10 Laplacian 0.8917518E+00 (-1/4)Del**2(Rho)) -0.2229379E+00 Diamond 0.3147298E+01 Metallicity 0.7185544E+01 Ellipticity 0.1615115E-02 Gb(Abramov) 0.4156137E+00 Vb(Abramov) -0.6082895E+00 Hb(Abramov) -0.1926758E+00 Ex_ueg -0.1104394E+00 Ec_ueg -0.1447136E-01 Delta_ex -0.1077223E+00 Delta_ec 0.1955597E-01 Delta_et -0.2703166E+00 Pxc 0.7631587E+01 Qxc -0.5508411E+01 3,-1 139 3 -1 0.105751 3.247778 3.145434 Rho 0.2269347E+00 |GRAD(Rho)| 0.4262069E-15 GRAD(Rho)x -0.9688702E-16 GRAD(Rho)y -0.2583654E-15 GRAD(Rho)z -0.3248270E-15 Laplacian 0.8175729E+00 (-1/4)Del**2(Rho)) -0.2043932E+00 Diamond 0.2714277E+01 Metallicity 0.7116308E+01 Ellipticity 0.1774049E-02 Gb(Abramov) 0.3786830E+00 Vb(Abramov) -0.5529728E+00 Hb(Abramov) -0.1742898E+00 Ex_ueg -0.1022318E+00 Ec_ueg -0.1354062E-01 Delta_ex -0.9741405E-01 Delta_ec 0.1847296E-01 Delta_et -0.2557576E+00 Pxc 0.7550011E+01 Qxc -0.5273331E+01 3,-1 140 3 -1 0.411050 -0.555642 0.408364 Rho 0.1827937E+00 |GRAD(Rho)| 0.1890451E-15 GRAD(Rho)x -0.1283695E-15 GRAD(Rho)y 0.0000000E+00 GRAD(Rho)z -0.1387779E-15 Laplacian 0.4851580E+00 (-1/4)Del**2(Rho)) -0.1212895E+00 Diamond 0.1271899E+01 Metallicity 0.8362423E+01 Ellipticity 0.6353884E-02 Gb(Abramov) 0.2499054E+00 Vb(Abramov) -0.3785212E+00 Hb(Abramov) -0.1286159E+00 Ex_ueg -0.7661847E-01 Ec_ueg -0.1057489E-01 Delta_ex -0.5492370E-01 Delta_ec 0.1204596E-01 Delta_et -0.1652911E+00 Pxc 0.7245318E+01 Qxc -0.4559514E+01 3,-1 141 3 -1 0.423317 0.381742 -0.529954 Rho 0.1789476E+00 |GRAD(Rho)| 0.1217081E-13 GRAD(Rho)x -0.7202572E-14 GRAD(Rho)y -0.6897261E-14 GRAD(Rho)z 0.6977058E-14 Laplacian 0.4691600E+00 (-1/4)Del**2(Rho)) -0.1172900E+00 Diamond 0.1201557E+01 Metallicity 0.8346450E+01 Ellipticity 0.5055655E-02 Gb(Abramov) 0.2413525E+00 Vb(Abramov) -0.3654150E+00 Hb(Abramov) -0.1240625E+00 Ex_ueg -0.7447653E-01 Ec_ueg -0.1032167E-01 Delta_ex -0.5285103E-01 Delta_ec 0.1175006E-01 Delta_et -0.1609499E+00 Pxc 0.7215553E+01 Qxc -0.4497936E+01 3,-1 142 3 -1 1.990491 -3.012053 0.845766 Rho 0.1048877E+00 |GRAD(Rho)| 0.1360324E-13 GRAD(Rho)x 0.7039264E-14 GRAD(Rho)y 0.3138196E-14 GRAD(Rho)z -0.1120932E-13 Laplacian 0.3958449E+00 (-1/4)Del**2(Rho)) -0.9896123E-01 Diamond 0.5246932E+00 Metallicity 0.4060966E+01 Ellipticity 0.2636407E-01 Gb(Abramov) 0.1329538E+00 Vb(Abramov) -0.1669465E+00 Hb(Abramov) -0.3399262E-01 Ex_ueg -0.3653295E-01 Ec_ueg -0.5622074E-02 Delta_ex -0.3906012E-01 Delta_ec 0.1101374E-01 Delta_et -0.1382176E+00 Pxc 0.6498127E+01 Qxc -0.3546489E+01 3,-1 143 3 -1 0.863111 -3.020674 2.032221 Rho 0.1497019E+00 |GRAD(Rho)| 0.2835489E-12 GRAD(Rho)x -0.2251448E-12 GRAD(Rho)y 0.7874001E-13 GRAD(Rho)z 0.1533292E-12 Laplacian 0.5831693E+00 (-1/4)Del**2(Rho)) -0.1457923E+00 Diamond 0.1164171E+01 Metallicity 0.4987283E+01 Ellipticity 0.8186512E-01 Gb(Abramov) 0.2183795E+00 Vb(Abramov) -0.2909666E+00 Hb(Abramov) -0.7258715E-01 Ex_ueg -0.5870676E-01 Ec_ueg -0.8424434E-02 Delta_ex -0.6244844E-01 Delta_ec 0.1453971E-01 Delta_et -0.1928916E+00 Pxc 0.6968630E+01 Qxc -0.4295026E+01 3,-1 144 3 -1 0.555425 1.841175 2.728144 Rho 0.1396646E+00 |GRAD(Rho)| 0.1030891E-13 GRAD(Rho)x 0.9925193E-14 GRAD(Rho)y -0.1847074E-15 GRAD(Rho)z -0.2780311E-14 Laplacian 0.5741109E+00 (-1/4)Del**2(Rho)) -0.1435277E+00 Diamond 0.1053743E+01 Metallicity 0.4512612E+01 Ellipticity 0.1093245E-01 Gb(Abramov) 0.2036326E+00 Vb(Abramov) -0.2637375E+00 Hb(Abramov) -0.6010490E-01 Ex_ueg -0.5351804E-01 Ec_ueg -0.7785218E-02 Delta_ex -0.6043234E-01 Delta_ec 0.1454903E-01 Delta_et -0.1911079E+00 Pxc 0.6874314E+01 Qxc -0.4153703E+01 3,-1 145 3 -1 0.865852 1.990359 -2.954657 Rho 0.1387362E+00 |GRAD(Rho)| 0.5298702E-15 GRAD(Rho)x -0.5291042E-15 GRAD(Rho)y 0.2148076E-16 GRAD(Rho)z 0.1870249E-16 Laplacian 0.5486595E+00 (-1/4)Del**2(Rho)) -0.1371649E+00 Diamond 0.1010798E+01 Metallicity 0.4669745E+01 Ellipticity 0.5293134E-01 Gb(Abramov) 0.1981974E+00 Vb(Abramov) -0.2592300E+00 Hb(Abramov) -0.6103255E-01 Ex_ueg -0.5304422E-01 Ec_ueg -0.7726414E-02 Delta_ex -0.5778973E-01 Delta_ec 0.1415980E-01 Delta_et -0.1863008E+00 Pxc 0.6865309E+01 Qxc -0.4081252E+01 3,-1 146 3 +1 2.203018 1.058446 -1.388652 Rho 0.2341996E-01 |GRAD(Rho)| 0.2668489E-16 GRAD(Rho)x -0.1505058E-16 GRAD(Rho)y 0.4256697E-17 GRAD(Rho)z 0.2162046E-16 Laplacian 0.9076260E-01 (-1/4)Del**2(Rho)) -0.2269065E-01 Diamond 0.1113266E-01 Metallicity 0.1455515E+01 Ellipticity -0.3805735E+01 Gb(Abramov) 0.2063153E-01 Vb(Abramov) -0.1857241E-01 Hb(Abramov) 0.2059121E-02 Ex_ueg -0.4948801E-02 Ec_ueg -0.1009495E-02 Delta_ex -0.5580982E-02 Delta_ec 0.1599829E-02 Delta_et -0.1388065E-01 Pxc 0.4902252E+01 Qxc -0.3488487E+01 3,+1 147 3 +3 2.327585 -0.002865 0.063217 Rho 0.4087715E-02 |GRAD(Rho)| 0.3510740E-17 GRAD(Rho)x 0.2394644E-17 GRAD(Rho)y 0.1558078E-17 GRAD(Rho)z 0.2040433E-17 Laplacian 0.1675572E-01 (-1/4)Del**2(Rho)) -0.4188931E-02 Diamond 0.1334879E-03 Metallicity 0.4297848E+00 Ellipticity -0.3243657E+00 Gb(Abramov) 0.3092677E-02 Vb(Abramov) -0.1996423E-02 Hb(Abramov) 0.1096254E-02 Ex_ueg -0.4827170E-03 Ec_ueg -0.1078672E-03 Delta_ex -0.6018520E-03 Delta_ec 0.1706356E-03 Delta_et -0.1019010E-02 Pxc 0.4475103E+01 Qxc -0.3527118E+01 3,+3 148 3 -1 1.701175 -0.605941 1.727700 Rho 0.3574840E-01 |GRAD(Rho)| 0.7169000E-17 GRAD(Rho)x 0.4202872E-17 GRAD(Rho)y -0.1886078E-17 GRAD(Rho)z 0.5493009E-17 Laplacian 0.1471783E+00 (-1/4)Del**2(Rho)) -0.3679456E-01 Diamond 0.4780963E-01 Metallicity 0.1816340E+01 Ellipticity 0.5087044E-01 Gb(Abramov) 0.3566829E-01 Vb(Abramov) -0.3454201E-01 Hb(Abramov) 0.1126279E-02 Ex_ueg -0.8697490E-02 Ec_ueg -0.1643753E-02 Delta_ex -0.1118048E-01 Delta_ec 0.4459019E-02 Delta_et -0.4298629E-01 Pxc 0.5291238E+01 Qxc -0.2507386E+01 3,-1 149 3 -1 1.770595 0.532422 2.782746 Rho 0.1173017E+00 |GRAD(Rho)| 0.1789476E-15 GRAD(Rho)x 0.4254138E-16 GRAD(Rho)y -0.1507719E-15 GRAD(Rho)z -0.8648884E-16 Laplacian 0.4876028E+00 (-1/4)Del**2(Rho)) -0.1219007E+00 Diamond 0.7254457E+00 Metallicity 0.3972410E+01 Ellipticity 0.1271753E-01 Gb(Abramov) 0.1619737E+00 Vb(Abramov) -0.2020467E+00 Hb(Abramov) -0.4007301E-01 Ex_ueg -0.4240893E-01 Ec_ueg -0.6384554E-02 Delta_ex -0.4920487E-01 Delta_ec 0.1287965E-01 Delta_et -0.1644954E+00 Pxc 0.6642427E+01 Qxc -0.3820358E+01 3,-1 150 3 -1 1.787768 1.665665 -0.578138 Rho 0.3306144E-01 |GRAD(Rho)| 0.1608552E-15 GRAD(Rho)x -0.8832362E-16 GRAD(Rho)y -0.1266176E-15 GRAD(Rho)z -0.4518100E-16 Laplacian 0.1354254E+00 (-1/4)Del**2(Rho)) -0.3385634E-01 Diamond 0.3945025E-01 Metallicity 0.1732937E+01 Ellipticity 0.2544911E-01 Gb(Abramov) 0.3234938E-01 Vb(Abramov) -0.3084241E-01 Hb(Abramov) 0.1506965E-02 Ex_ueg -0.7836955E-02 Ec_ueg -0.1502574E-02 Delta_ex -0.1008528E-01 Delta_ec 0.4090257E-02 Delta_et -0.3859216E-01 Pxc 0.5215687E+01 Qxc -0.2465684E+01 3,-1 151 3 -1 1.369050 -2.173652 -2.121613 Rho 0.6983939E-02 |GRAD(Rho)| 0.1512639E-13 GRAD(Rho)x -0.9926402E-14 GRAD(Rho)y 0.1166612E-14 GRAD(Rho)z -0.1135400E-13 Laplacian 0.2861946E-01 (-1/4)Del**2(Rho)) -0.7154865E-02 Diamond 0.1366746E-02 Metallicity 0.6144018E+00 Ellipticity 0.6550554E+00 Gb(Abramov) 0.5502570E-02 Vb(Abramov) -0.3850276E-02 Hb(Abramov) 0.1652295E-02 Ex_ueg -0.9859441E-03 Ec_ueg -0.2332641E-03 Delta_ex -0.1710659E-02 Delta_ec 0.1241314E-02 Delta_et -0.7320109E-02 Pxc 0.4226729E+01 Qxc -0.1378103E+01 3,-1 152 3 +1 1.594066 -2.015571 -1.968122 Rho 0.6771301E-02 |GRAD(Rho)| 0.3339023E-17 GRAD(Rho)x 0.1311663E-17 GRAD(Rho)y -0.2686274E-17 GRAD(Rho)z 0.1487463E-17 Laplacian 0.3018660E-01 (-1/4)Del**2(Rho)) -0.7546651E-02 Diamond 0.9529253E-03 Metallicity 0.5532471E+00 Ellipticity -0.2017600E+01 Gb(Abramov) 0.5726961E-02 Vb(Abramov) -0.3907271E-02 Hb(Abramov) 0.1819690E-02 Ex_ueg -0.9461237E-03 Ec_ueg -0.2239178E-03 Delta_ex -0.1527862E-02 Delta_ec 0.8335177E-03 Delta_et -0.5002039E-02 Pxc 0.4225316E+01 Qxc -0.1833029E+01 3,+1 153 3 +1 1.380336 -2.233684 1.051626 Rho 0.2767829E-01 |GRAD(Rho)| 0.2535433E-14 GRAD(Rho)x 0.1786460E-14 GRAD(Rho)y -0.1253714E-14 GRAD(Rho)z -0.1290420E-14 Laplacian 0.1106558E+00 (-1/4)Del**2(Rho)) -0.2766395E-01 Diamond 0.1629291E-01 Metallicity 0.1577142E+01 Ellipticity -0.3408564E+01 Gb(Abramov) 0.2571430E-01 Vb(Abramov) -0.2376465E-01 Hb(Abramov) 0.1949652E-02 Ex_ueg -0.6183542E-02 Ec_ueg -0.1224485E-02 Delta_ex -0.7038598E-02 Delta_ec 0.1817280E-02 Delta_et -0.1645177E-01 Pxc 0.5049914E+01 Qxc -0.3873150E+01 3,+1 154 3 +1 2.008695 -2.012583 2.059821 Rho 0.1166318E-01 |GRAD(Rho)| 0.3068239E-14 GRAD(Rho)x 0.2014531E-14 GRAD(Rho)y -0.1893234E-14 GRAD(Rho)z 0.1330949E-14 Laplacian 0.5404204E-01 (-1/4)Del**2(Rho)) -0.1351051E-01 Diamond 0.1703082E-02 Metallicity 0.7648503E+00 Ellipticity -0.1135288E+01 Gb(Abramov) 0.1072926E-01 Vb(Abramov) -0.7948009E-02 Hb(Abramov) 0.2781250E-02 Ex_ueg -0.1953474E-02 Ec_ueg -0.4440426E-03 Delta_ex -0.2522646E-02 Delta_ec 0.4980944E-03 Delta_et -0.3867542E-02 Pxc 0.4399295E+01 Qxc -0.5064594E+01 3,+1 155 3 -1 1.678937 -1.799484 0.440602 Rho 0.4616426E-01 |GRAD(Rho)| 0.1533633E-15 GRAD(Rho)x 0.1091072E-15 GRAD(Rho)y -0.9292206E-16 GRAD(Rho)z -0.5460250E-16 Laplacian 0.1867476E+00 (-1/4)Del**2(Rho)) -0.4668690E-01 Diamond 0.8755232E-01 Metallicity 0.2192138E+01 Ellipticity 0.1521086E-01 Gb(Abramov) 0.4818196E-01 Vb(Abramov) -0.4967701E-01 Hb(Abramov) -0.1495054E-02 Ex_ueg -0.1223093E-01 Ec_ueg -0.2203971E-02 Delta_ex -0.1519227E-01 Delta_ec 0.5791816E-02 Delta_et -0.5985527E-01 Pxc 0.5549496E+01 Qxc -0.2623059E+01 3,-1 156 3 +1 2.046892 1.977771 -1.986058 Rho 0.1165419E-01 |GRAD(Rho)| 0.4362691E-14 GRAD(Rho)x -0.2703823E-14 GRAD(Rho)y -0.2577505E-14 GRAD(Rho)z 0.2253637E-14 Laplacian 0.5434515E-01 (-1/4)Del**2(Rho)) -0.1358629E-01 Diamond 0.1639549E-02 Metallicity 0.7596072E+00 Ellipticity -0.1093232E+01 Gb(Abramov) 0.1077757E-01 Vb(Abramov) -0.7968843E-02 Hb(Abramov) 0.2808722E-02 Ex_ueg -0.1951466E-02 Ec_ueg -0.4436287E-03 Delta_ex -0.2514844E-02 Delta_ec 0.4626582E-03 Delta_et -0.3633804E-02 Pxc 0.4398873E+01 Qxc -0.5435642E+01 3,+1 157 3 +1 1.468974 2.086007 -1.004187 Rho 0.2445035E-01 |GRAD(Rho)| 0.4452004E-16 GRAD(Rho)x -0.2560380E-16 GRAD(Rho)y -0.3336514E-16 GRAD(Rho)z -0.1460298E-16 Laplacian 0.9431126E-01 (-1/4)Del**2(Rho)) -0.2357782E-01 Diamond 0.1049144E-01 Metallicity 0.1504959E+01 Ellipticity -0.2336349E+01 Gb(Abramov) 0.2163249E-01 Vb(Abramov) -0.1968715E-01 Hb(Abramov) 0.1945331E-02 Ex_ueg -0.5241213E-02 Ec_ueg -0.1061080E-02 Delta_ex -0.5666308E-02 Delta_ec 0.1306439E-02 Delta_et -0.1154227E-01 Pxc 0.4939508E+01 Qxc -0.4337214E+01 3,+1 158 3 -1 1.943152 -0.865001 3.046529 Rho 0.1437955E+00 |GRAD(Rho)| 0.1354987E-12 GRAD(Rho)x 0.8744946E-13 GRAD(Rho)y 0.9208105E-13 GRAD(Rho)z -0.4726066E-13 Laplacian 0.5578358E+00 (-1/4)Del**2(Rho)) -0.1394589E+00 Diamond 0.1068297E+01 Metallicity 0.4875459E+01 Ellipticity 0.5743062E-01 Gb(Abramov) 0.2062937E+00 Vb(Abramov) -0.2731285E+00 Hb(Abramov) -0.6683475E-01 Ex_ueg -0.5563892E-01 Ec_ueg -0.8047526E-02 Delta_ex -0.5922354E-01 Delta_ec 0.1418477E-01 Delta_et -0.1874383E+00 Pxc 0.6913792E+01 Qxc -0.4175150E+01 3,-1 159 3 -1 1.853616 -0.658224 -3.011100 Rho 0.2377444E+00 |GRAD(Rho)| 0.5543289E-13 GRAD(Rho)x -0.4825426E-13 GRAD(Rho)y -0.5427516E-14 GRAD(Rho)z 0.2673713E-13 Laplacian 0.9041673E+00 (-1/4)Del**2(Rho)) -0.2260418E+00 Diamond 0.3135492E+01 Metallicity 0.6953681E+01 Ellipticity 0.1227769E-01 Gb(Abramov) 0.4126650E+00 Vb(Abramov) -0.5992882E+00 Hb(Abramov) -0.1866232E+00 Ex_ueg -0.1087757E+00 Ec_ueg -0.1428333E-01 Delta_ex -0.1088319E+00 Delta_ec 0.1977801E-01 Delta_et -0.2727705E+00 Pxc 0.7615574E+01 Qxc -0.5502670E+01 3,-1 160 3 -1 1.677208 0.420300 -1.813732 Rho 0.4640981E-01 |GRAD(Rho)| 0.6984236E-14 GRAD(Rho)x 0.6085938E-14 GRAD(Rho)y 0.3126833E-15 GRAD(Rho)z -0.3412204E-14 Laplacian 0.1823896E+00 (-1/4)Del**2(Rho)) -0.4559740E-01 Diamond 0.8345705E-01 Metallicity 0.2264450E+01 Ellipticity 0.3201600E-01 Gb(Abramov) 0.4760710E-01 Vb(Abramov) -0.4961681E-01 Hb(Abramov) -0.2009705E-02 Ex_ueg -0.1231775E-01 Ec_ueg -0.2217404E-02 Delta_ex -0.1473017E-01 Delta_ec 0.5429468E-02 Delta_et -0.5614142E-01 Pxc 0.5555033E+01 Qxc -0.2713004E+01 3,-1 161 3 -1 2.743849 -1.830034 -0.615521 Rho 0.1368457E+00 |GRAD(Rho)| 0.2339694E-15 GRAD(Rho)x -0.1459946E-15 GRAD(Rho)y 0.1251305E-15 GRAD(Rho)z -0.1333027E-15 Laplacian 0.5595542E+00 (-1/4)Del**2(Rho)) -0.1398885E+00 Diamond 0.1005603E+01 Metallicity 0.4475308E+01 Ellipticity 0.9639128E-02 Gb(Abramov) 0.1975998E+00 Vb(Abramov) -0.2553110E+00 Hb(Abramov) -0.5771121E-01 Ex_ueg -0.5208267E-01 Ec_ueg -0.7606843E-02 Delta_ex -0.5864625E-01 Delta_ec 0.1432004E-01 Delta_et -0.1876733E+00 Pxc 0.6846818E+01 Qxc -0.4095397E+01 3,-1 162 3 -1 1.960336 0.810222 -3.039397 Rho 0.1350549E+00 |GRAD(Rho)| 0.4681624E-13 GRAD(Rho)x 0.2391673E-13 GRAD(Rho)y -0.3840595E-13 GRAD(Rho)z 0.1203050E-13 Laplacian 0.5174158E+00 (-1/4)Del**2(Rho)) -0.1293540E+00 Diamond 0.9357072E+00 Metallicity 0.4734678E+01 Ellipticity 0.3136726E-01 Gb(Abramov) 0.1883109E+00 Vb(Abramov) -0.2472678E+00 Hb(Abramov) -0.5895690E-01 Ex_ueg -0.5117588E-01 Ec_ueg -0.7493787E-02 Delta_ex -0.5429037E-01 Delta_ec 0.1370212E-01 Delta_et -0.1800522E+00 Pxc 0.6829108E+01 Qxc -0.3962186E+01 3,-1 163 3 +3 1.981336 1.902798 -1.917016 Rho 0.1163246E-01 |GRAD(Rho)| 0.5488045E-14 GRAD(Rho)x -0.3385018E-14 GRAD(Rho)y -0.3274779E-14 GRAD(Rho)z 0.2817110E-14 Laplacian 0.5387419E-01 (-1/4)Del**2(Rho)) -0.1346855E-01 Diamond 0.1343520E-02 Metallicity 0.7638683E+00 Ellipticity -0.8756290E+00 Gb(Abramov) 0.1069373E-01 Vb(Abramov) -0.7918915E-02 Hb(Abramov) 0.2774817E-02 Ex_ueg -0.1946617E-02 Ec_ueg -0.4426289E-03 Delta_ex -0.2408132E-02 Delta_ec 0.3093373E-03 Delta_et -0.2606449E-02 Pxc 0.4397855E+01 Qxc -0.7784809E+01 3,+3 164 3 +3 1.911560 -1.922337 1.952396 Rho 0.1160121E-01 |GRAD(Rho)| 0.1079043E-15 GRAD(Rho)x -0.6570410E-16 GRAD(Rho)y 0.4177017E-16 GRAD(Rho)z -0.7470986E-16 Laplacian 0.5322899E-01 (-1/4)Del**2(Rho)) -0.1330725E-01 Diamond 0.1275086E-02 Metallicity 0.7696690E+00 Ellipticity -0.7931112E+00 Gb(Abramov) 0.1057853E-01 Vb(Abramov) -0.7849808E-02 Hb(Abramov) 0.2728720E-02 Ex_ueg -0.1939648E-02 Ec_ueg -0.4411911E-03 Delta_ex -0.2363131E-02 Delta_ec 0.2800567E-03 Delta_et -0.2403948E-02 Pxc 0.4396390E+01 Qxc -0.8438043E+01 3,+3 165 3 -1 2.046649 2.955660 -0.831674 Rho 0.1195932E+00 |GRAD(Rho)| 0.3004509E-15 GRAD(Rho)x 0.2836408E-15 GRAD(Rho)y -0.7480995E-16 GRAD(Rho)z 0.6497759E-16 Laplacian 0.4614584E+00 (-1/4)Del**2(Rho)) -0.1153646E+00 Diamond 0.7080155E+00 Metallicity 0.4335023E+01 Ellipticity 0.2855542E-01 Gb(Abramov) 0.1602611E+00 Vb(Abramov) -0.2051576E+00 Hb(Abramov) -0.4489651E-01 Ex_ueg -0.4351714E-01 Ec_ueg -0.6526520E-02 Delta_ex -0.4685397E-01 Delta_ec 0.1226150E-01 Delta_et -0.1573369E+00 Pxc 0.6667741E+01 Qxc -0.3821226E+01 3,-1 166 3 -1 1.876682 2.785219 0.537955 Rho 0.9696759E-01 |GRAD(Rho)| 0.4046461E-12 GRAD(Rho)x 0.3204310E-12 GRAD(Rho)y -0.6396336E-13 GRAD(Rho)z -0.2386862E-12 Laplacian 0.4020351E+00 (-1/4)Del**2(Rho)) -0.1005088E+00 Diamond 0.4790714E+00 Metallicity 0.3508005E+01 Ellipticity 0.9539666E-02 Gb(Abramov) 0.1257701E+00 Vb(Abramov) -0.1510314E+00 Hb(Abramov) -0.2526129E-01 Ex_ueg -0.3290187E-01 Ec_ueg -0.5141728E-02 Delta_ex -0.3885176E-01 Delta_ec 0.1120054E-01 Delta_et -0.1381774E+00 Pxc 0.6398990E+01 Qxc -0.3468741E+01 3,-1 167 3 -1 2.735510 -0.617093 -1.857428 Rho 0.1328243E+00 |GRAD(Rho)| 0.7088420E-15 GRAD(Rho)x -0.5529431E-16 GRAD(Rho)y 0.4899916E-15 GRAD(Rho)z -0.5092227E-15 Laplacian 0.5411470E+00 (-1/4)Del**2(Rho)) -0.1352868E+00 Diamond 0.9545065E+00 Metallicity 0.4403119E+01 Ellipticity 0.9436222E-02 Gb(Abramov) 0.1894718E+00 Vb(Abramov) -0.2436568E+00 Hb(Abramov) -0.5418503E-01 Ex_ueg -0.5005204E-01 Ec_ueg -0.7353263E-02 Delta_ex -0.5649737E-01 Delta_ec 0.1428876E-01 Delta_et -0.1870695E+00 Pxc 0.6806779E+01 Qxc -0.3953974E+01 3,-1 168 3 -1 2.974182 -0.847986 2.057043 Rho 0.1718525E+00 |GRAD(Rho)| 0.1259934E-15 GRAD(Rho)x 0.5366801E-17 GRAD(Rho)y -0.1248188E-15 GRAD(Rho)z -0.1630369E-16 Laplacian 0.6609783E+00 (-1/4)Del**2(Rho)) -0.1652446E+00 Diamond 0.1560639E+01 Metallicity 0.5537991E+01 Ellipticity 0.6111878E-01 Gb(Abramov) 0.2626836E+00 Vb(Abramov) -0.3601225E+00 Hb(Abramov) -0.9743898E-01 Ex_ueg -0.7056556E-01 Ec_ueg -0.9856767E-02 Delta_ex -0.7328090E-01 Delta_ec 0.1595716E-01 Delta_et -0.2154353E+00 Pxc 0.7159098E+01 Qxc -0.4592352E+01 3,-1 169 3 -1 2.760116 0.554189 1.869537 Rho 0.1099045E+00 |GRAD(Rho)| 0.4478186E-15 GRAD(Rho)x -0.1384052E-16 GRAD(Rho)y 0.4003484E-15 GRAD(Rho)z -0.2001776E-15 Laplacian 0.4572619E+00 (-1/4)Del**2(Rho)) -0.1143155E+00 Diamond 0.6332075E+00 Metallicity 0.3800208E+01 Ellipticity 0.1138004E-01 Gb(Abramov) 0.1486141E+00 Vb(Abramov) -0.1829127E+00 Hb(Abramov) -0.3429860E-01 Ex_ueg -0.3888115E-01 Ec_ueg -0.5928842E-02 Delta_ex -0.4549723E-01 Delta_ec 0.1237464E-01 Delta_et -0.1563824E+00 Pxc 0.6557967E+01 Qxc -0.3676652E+01 3,-1 170 3 -1 3.143959 0.036393 3.268125 Rho 0.2284938E+00 |GRAD(Rho)| 0.1075626E-14 GRAD(Rho)x -0.8188437E-15 GRAD(Rho)y -0.6732895E-16 GRAD(Rho)z -0.6942147E-15 Laplacian 0.8189431E+00 (-1/4)Del**2(Rho)) -0.2047358E+00 Diamond 0.2745296E+01 Metallicity 0.7185940E+01 Ellipticity 0.6034162E-02 Gb(Abramov) 0.3816937E+00 Vb(Abramov) -0.5586516E+00 Hb(Abramov) -0.1769579E+00 Ex_ueg -0.1031694E+00 Ec_ueg -0.1364735E-01 Delta_ex -0.9777336E-01 Delta_ec 0.1850781E-01 Delta_et -0.2564949E+00 Pxc 0.7559666E+01 Qxc -0.5282817E+01 3,-1 171 3 -1 2.974604 0.803269 -2.034546 Rho 0.7308539E-01 |GRAD(Rho)| 0.6520121E-16 GRAD(Rho)x -0.1970707E-16 GRAD(Rho)y -0.6156405E-16 GRAD(Rho)z -0.8526234E-17 Laplacian 0.2919966E+00 (-1/4)Del**2(Rho)) -0.7299916E-01 Diamond 0.2453531E+00 Metallicity 0.3014993E+01 Ellipticity 0.7148676E-03 Gb(Abramov) 0.8534810E-01 Vb(Abramov) -0.9769704E-01 Hb(Abramov) -0.1234894E-01 Ex_ueg -0.2256797E-01 Ec_ueg -0.3725963E-02 Delta_ex -0.2641139E-01 Delta_ec 0.8551904E-02 Delta_et -0.9916841E-01 Pxc 0.6056950E+01 Qxc -0.3088363E+01 3,-1 172 3 -1 2.946686 -1.991800 0.827465 Rho 0.7590783E-01 |GRAD(Rho)| 0.1499826E-15 GRAD(Rho)x 0.1431985E-15 GRAD(Rho)y -0.4105060E-16 GRAD(Rho)z -0.1743024E-16 Laplacian 0.3007105E+00 (-1/4)Del**2(Rho)) -0.7517763E-01 Diamond 0.2656690E+00 Metallicity 0.3118474E+01 Ellipticity 0.5387466E-02 Gb(Abramov) 0.8919167E-01 Vb(Abramov) -0.1032057E+00 Hb(Abramov) -0.1401404E-01 Ex_ueg -0.2373744E-01 Ec_ueg -0.3890470E-02 Delta_ex -0.2745939E-01 Delta_ec 0.8788199E-02 Delta_et -0.1028316E+00 Pxc 0.6101431E+01 Qxc -0.3124575E+01 3,-1 173 3 -1 3.292149 3.169785 0.056508 Rho 0.2286113E+00 |GRAD(Rho)| 0.3374601E-15 GRAD(Rho)x -0.6770843E-16 GRAD(Rho)y -0.3172918E-15 GRAD(Rho)z -0.9284836E-16 Laplacian 0.8141142E+00 (-1/4)Del**2(Rho)) -0.2035286E+00 Diamond 0.2733936E+01 Metallicity 0.7234755E+01 Ellipticity 0.1729040E-02 Gb(Abramov) 0.3810989E+00 Vb(Abramov) -0.5586693E+00 Hb(Abramov) -0.1775704E+00 Ex_ueg -0.1032401E+00 Ec_ueg -0.1365540E-01 Delta_ex -0.9722763E-01 Delta_ec 0.1842779E-01 Delta_et -0.2555235E+00 Pxc 0.7560391E+01 Qxc -0.5276142E+01 3,-1 174 3 -1 3.209110 -0.092185 -3.248331 Rho 0.2331023E+00 |GRAD(Rho)| 0.5165222E-15 GRAD(Rho)x -0.4296693E-15 GRAD(Rho)y 0.5327498E-16 GRAD(Rho)z 0.2816757E-15 Laplacian 0.8575852E+00 (-1/4)Del**2(Rho)) -0.2143963E+00 Diamond 0.2927260E+01 Metallicity 0.7094365E+01 Ellipticity 0.1817748E-01 Gb(Abramov) 0.3964318E+00 Vb(Abramov) -0.5784673E+00 Hb(Abramov) -0.1820355E+00 Ex_ueg -0.1059531E+00 Ec_ueg -0.1396360E-01 Delta_ex -0.1028223E+00 Delta_ec 0.1909654E-01 Delta_et -0.2641786E+00 Pxc 0.7587810E+01 Qxc -0.5384343E+01 3,-1 175 3 -1 -3.149595 -0.044045 3.270789 Rho 0.2394844E+00 |GRAD(Rho)| 0.1240677E-13 GRAD(Rho)x -0.9217887E-14 GRAD(Rho)y 0.7959589E-14 GRAD(Rho)z -0.2367139E-14 Laplacian 0.8836291E+00 (-1/4)Del**2(Rho)) -0.2209073E+00 Diamond 0.3108301E+01 Metallicity 0.7202312E+01 Ellipticity 0.1353299E-02 Gb(Abramov) 0.4124454E+00 Vb(Abramov) -0.6039835E+00 Hb(Abramov) -0.1915381E+00 Ex_ueg -0.1098385E+00 Ec_ueg -0.1440348E-01 Delta_ex -0.1066536E+00 Delta_ec 0.1944902E-01 Delta_et -0.2690151E+00 Pxc 0.7625833E+01 Qxc -0.5483752E+01 3,-1 176 3 -1 -3.032171 1.944516 0.878195 Rho 0.1273742E+00 |GRAD(Rho)| 0.6365309E-14 GRAD(Rho)x -0.5389806E-14 GRAD(Rho)y 0.3277780E-14 GRAD(Rho)z -0.8504753E-15 Laplacian 0.4898730E+00 (-1/4)Del**2(Rho)) -0.1224683E+00 Diamond 0.8129973E+00 Metallicity 0.4535920E+01 Ellipticity 0.4392892E-01 Gb(Abramov) 0.1742299E+00 Vb(Abramov) -0.2259915E+00 Hb(Abramov) -0.5176162E-01 Ex_ueg -0.4733260E-01 Ec_ueg -0.7011286E-02 Delta_ex -0.5052422E-01 Delta_ec 0.1287320E-01 Delta_et -0.1670385E+00 Pxc 0.6750916E+01 Qxc -0.3924761E+01 3,-1 177 3 -1 -2.733327 -0.521046 1.845337 Rho 0.1185486E+00 |GRAD(Rho)| 0.1109141E-14 GRAD(Rho)x 0.7884860E-16 GRAD(Rho)y 0.7616588E-15 GRAD(Rho)z 0.8024045E-15 Laplacian 0.4948834E+00 (-1/4)Del**2(Rho)) -0.1237208E+00 Diamond 0.7599146E+00 Metallicity 0.3983556E+01 Ellipticity 0.1343694E-01 Gb(Abramov) 0.1646220E+00 Vb(Abramov) -0.2055232E+00 Hb(Abramov) -0.4090120E-01 Ex_ueg -0.4301107E-01 Ec_ueg -0.6461757E-02 Delta_ex -0.5025967E-01 Delta_ec 0.1338558E-01 Delta_et -0.1718394E+00 Pxc 0.6656249E+01 Qxc -0.3754763E+01 3,-1 178 3 -1 -2.077071 -3.105627 -0.721038 Rho 0.1436511E+00 |GRAD(Rho)| 0.3548119E-14 GRAD(Rho)x 0.1617752E-14 GRAD(Rho)y 0.3048668E-14 GRAD(Rho)z -0.8231941E-15 Laplacian 0.5358088E+00 (-1/4)Del**2(Rho)) -0.1339522E+00 Diamond 0.1055157E+01 Metallicity 0.5067398E+01 Ellipticity 0.1162807E+00 Gb(Abramov) 0.2024330E+00 Vb(Abramov) -0.2709138E+00 Hb(Abramov) -0.6848079E-01 Ex_ueg -0.5556446E-01 Ec_ueg -0.8038341E-02 Delta_ex -0.5719056E-01 Delta_ec 0.1419854E-01 Delta_et -0.1888385E+00 Pxc 0.6912429E+01 Qxc -0.4027918E+01 3,-1 179 3 -1 0.857438 2.973155 -1.931100 Rho 0.1480364E+00 |GRAD(Rho)| 0.2629974E-12 GRAD(Rho)x -0.2008160E-12 GRAD(Rho)y -0.1197551E-12 GRAD(Rho)z -0.1204130E-12 Laplacian 0.5792241E+00 (-1/4)Del**2(Rho)) -0.1448060E+00 Diamond 0.1156739E+01 Metallicity 0.4928495E+01 Ellipticity 0.5112810E-01 Gb(Abramov) 0.2154833E+00 Vb(Abramov) -0.2861606E+00 Hb(Abramov) -0.7067728E-01 Ex_ueg -0.5783756E-01 Ec_ueg -0.8317937E-02 Delta_ex -0.6201614E-01 Delta_ec 0.1476917E-01 Delta_et -0.1963000E+00 Pxc 0.6953353E+01 Qxc -0.4199026E+01 3,-1 180 3 -1 1.822904 -2.962046 -0.569621 Rho 0.2144559E+00 |GRAD(Rho)| 0.2201903E-15 GRAD(Rho)x -0.5529431E-17 GRAD(Rho)y 0.2415060E-16 GRAD(Rho)z -0.2187920E-15 Laplacian 0.8238207E+00 (-1/4)Del**2(Rho)) -0.2059552E+00 Diamond 0.2520194E+01 Metallicity 0.6427035E+01 Ellipticity 0.2464136E-01 Gb(Abramov) 0.3579169E+00 Vb(Abramov) -0.5098787E+00 Hb(Abramov) -0.1519618E+00 Ex_ueg -0.9480601E-01 Ec_ueg -0.1269123E-01 Delta_ex -0.9651828E-01 Delta_ec 0.1853005E-01 Delta_et -0.2542392E+00 Pxc 0.7470200E+01 Qxc -0.5208744E+01 3,-1 181 3 -1 2.830209 1.813082 0.581317 Rho 0.1475561E+00 |GRAD(Rho)| 0.3840216E-13 GRAD(Rho)x -0.1839044E-14 GRAD(Rho)y 0.2670860E-13 GRAD(Rho)z -0.2753170E-13 Laplacian 0.6111480E+00 (-1/4)Del**2(Rho)) -0.1527870E+00 Diamond 0.1192711E+01 Metallicity 0.4645817E+01 Ellipticity 0.2771291E-01 Gb(Abramov) 0.2201614E+00 Vb(Abramov) -0.2875358E+00 Hb(Abramov) -0.6737440E-01 Ex_ueg -0.5758747E-01 Ec_ueg -0.8287254E-02 Delta_ex -0.6514758E-01 Delta_ec 0.1517712E-01 Delta_et -0.2006879E+00 Pxc 0.6948921E+01 Qxc -0.4292487E+01 3,-1 182 3 -1 3.209824 -3.194305 -0.084177 Rho 0.2233649E+00 |GRAD(Rho)| 0.2810413E-15 GRAD(Rho)x -0.2198220E-15 GRAD(Rho)y 0.1678887E-15 GRAD(Rho)z 0.4975810E-16 Laplacian 0.8177999E+00 (-1/4)Del**2(Rho)) -0.2044500E+00 Diamond 0.2656362E+01 Metallicity 0.6928794E+01 Ellipticity 0.1359120E-01 Gb(Abramov) 0.3723986E+00 Vb(Abramov) -0.5403473E+00 Hb(Abramov) -0.1679487E+00 Ex_ueg -0.1000933E+00 Ec_ueg -0.1329676E-01 Delta_ex -0.9699857E-01 Delta_ec 0.1848523E-01 Delta_et -0.2554027E+00 Pxc 0.7527644E+01 Qxc -0.5247356E+01 3,-1 183 3 -1 3.081788 1.988697 -0.851846 Rho 0.1801742E+00 |GRAD(Rho)| 0.2556601E-13 GRAD(Rho)x -0.8299500E-14 GRAD(Rho)y 0.1489561E-13 GRAD(Rho)z 0.1904889E-13 Laplacian 0.6928810E+00 (-1/4)Del**2(Rho)) -0.1732203E+00 Diamond 0.1731143E+01 Metallicity 0.5716220E+01 Ellipticity 0.5938874E-01 Gb(Abramov) 0.2805077E+00 Vb(Abramov) -0.3877952E+00 Hb(Abramov) -0.1072874E+00 Ex_ueg -0.7515802E-01 Ec_ueg -0.1040234E-01 Delta_ex -0.7773426E-01 Delta_ec 0.1651458E-01 Delta_et -0.2240533E+00 Pxc 0.7225109E+01 Qxc -0.4707009E+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 78 135 122 120 102 143 130 140 108 141 115 127 118 124 145 179 138 117 144 137 126 125 139 155 161 180 172 142 182 150 181 166 183 165 173 98 72 106 176 92 79 87 77 121 76 178 58 55 66 95 63 91 67 74 177 93 69 81 175 148 169 149 168 158 170 160 167 159 171 162 174 88 68 151 111 129 86 113 114 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 28 36 24 27 52 52 2.391977 1.986348 1.891964 2.002355 1.901770 1.733247 1.706846 1.699378 1.715936 1.714517 2.347119 1.948860 1.919818 1.954820 1.929666 1.742522 2.435456 1.920033 1.857920 2.079758 1.922564 1.738188 2.383235 1.925845 1.758571 2.179327 2.048450 1.744309 2.523942 1.894983 2.065823 1.828074 1.991978 1.735553 2.407846 1.816226 1.974034 1.966886 2.029958 1.739807 2.330254 1.898141 2.017443 1.912517 1.950082 1.741003 2.331854 2.200018 1.942480 1.999588 1.752141 1.755423 2.384435 2.007013 1.906558 1.952358 1.874903 1.744090 2.489389 2.012800 1.988355 1.847966 1.916928 1.735552 2.400273 1.961829 1.747229 2.213913 1.966978 1.754674 3.228762 3.175701 3.055063 3.238198 3.232825 3.226842 1.931373 0.992457 2.393814 1.986946 1.892697 2.003199 1.902494 1.733265 1.706861 1.699436 1.715956 1.714530 2.348805 1.949239 1.920370 1.955468 1.930291 1.742532 2.437224 1.920605 1.858420 2.080486 1.923304 1.738203 2.385064 1.926415 1.758714 2.180157 2.049132 1.744339 2.525381 1.895571 2.066413 1.828511 1.992812 1.735574 2.409274 1.816640 1.974527 1.967632 2.030709 1.739835 2.332308 1.898671 2.017879 1.913162 1.951427 1.741019 2.334056 2.200423 1.942883 2.000262 1.752151 1.755445 2.386265 2.007395 1.907112 1.952965 1.875360 1.744097 2.490977 2.013478 1.989196 1.848519 1.917573 1.735572 2.402105 1.962246 1.747242 2.214436 1.967570 1.754700 3.233296 3.181845 3.067744 3.241609 3.244937 3.231194 1.934301 0.992575 30 26 26 28 26 23 24 24 23 23 30 27 27 28 25 24 34 28 26 30 28 26 29 27 22 25 27 23 32 24 28 23 26 24 31 24 26 24 27 24 30 28 27 27 24 23 30 28 27 27 24 24 30 24 28 28 28 23 32 25 26 22 26 22 29 27 24 25 26 23 35 35 33 35 35 35 27 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo As W Mo Mo Mo Mo W W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3096 2.4349 2.4531 2.3295 2.2293 2.3012 2.3134 2.4594 2.3880 2.4319 2.2786 2.3328 -1.1152 -1.0361 -1.1200 -1.1124 -0.9553 -0.9608 -0.8726 -0.9130 -0.7608 -0.9140 -0.9809 -0.9321 -0.9383 -0.9207 -0.8982 -0.7511 -0.8858 -0.9867 -0.8841 -0.9427 -0.9087 -0.9856 -0.9360 -0.7961 -0.7999 -0.9207 -0.9108 -0.9423 -0.7251 -0.8339 -0.7987 -0.7459 -0.7524 -0.7390 -0.7468 -0.7936 -0.8292 -0.8063 -0.7366 0.3269 1.9357 0.8311 2.0955 1.9310 1.9785 1.9596 1.9459 2.1115 2.1261 2.0974 1.9433 2.1323 1.9400 1.9455 1.9374 1.9362 1.9330 1.9366 1.9523 1.9401 1.9683 1.9397 1.9295 1.9347 1.9348 1.9377 1.9442 1.9793 1.9547 1.9408 1.9550 1.9446 1.9465 1.9414 1.9457 1.9591 1.8782 1.9458 1.9488 1.9422 1.9742 1.9584 1.9641 1.9717 1.9706 1.9733 1.9712 1.9643 1.9580 1.9630 1.9727 0.5392 6.0932 1.1841 6.0993 6.0764 6.1069 6.0773 6.0828 6.0982 6.0926 6.1018 6.0973 6.1166 5.1382 5.0538 5.1457 5.1392 4.9928 4.9968 4.8918 4.9476 4.7565 4.9495 5.0227 4.9695 4.9758 4.9549 4.9273 4.7410 4.9044 5.0141 4.9005 4.9688 4.9346 5.0132 4.9602 4.8035 4.8912 4.9492 4.9349 4.9710 4.7182 4.8425 4.7997 4.7424 4.7508 4.7333 4.7440 4.7943 4.8382 4.8087 4.7313 0.1339 3.6615 10.5499 3.3227 3.6630 3.6853 3.6619 3.6580 3.3018 3.3650 3.3395 3.6808 3.3903 0.0371 0.0368 0.0369 0.0369 0.0294 0.0273 0.0285 0.0254 0.0361 0.0248 0.0287 0.0279 0.0278 0.0281 0.0267 0.0308 0.0266 0.0318 0.0286 0.0293 0.0276 0.0310 0.0301 0.0335 0.0305 0.0257 0.0272 0.0291 0.0327 0.0330 0.0349 0.0319 0.0310 0.0324 0.0315 0.0350 0.0329 0.0347 0.0325 0.0000 0.0000 0.0000 14.0295 0.0000 0.0000 0.0000 0.0000 14.0291 14.0283 14.0294 0.0000 14.0281 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 Mo As W Mo Mo Mo Mo W W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 3.174179 2.313026 2.513436 3.168569 3.141602 3.160697 3.167176 2.524002 2.489117 2.504978 3.166721 2.461925 -1.205075 -1.035125 -1.119112 -1.168724 -0.964704 -1.102687 -1.089796 -1.192768 -0.824181 -1.197383 -0.973022 -1.070681 -1.078796 -1.086380 -1.181011 -0.959454 -1.143934 -0.951920 -1.081853 -1.066321 -1.170755 -0.961916 -1.032262 -0.843896 -0.611264 -1.175983 -1.160596 -1.058719 -0.996147 -0.879610 -0.834770 -1.018964 -1.028558 -1.011746 -1.022627 -0.827981 -0.873322 -0.842892 -1.008307 0.067815 2.367319 1.700334 1.943946 2.369932 2.342652 2.369990 2.356206 1.961504 1.945887 1.944954 2.375211 1.934627 -0.895783 -0.711535 -0.781735 -0.845431 -0.721439 -0.828860 -0.843766 -0.932108 -0.711246 -0.924552 -0.714540 -0.819711 -0.826751 -0.828497 -0.930947 -0.755723 -0.946960 -0.769920 -0.879295 -0.870644 -0.948145 -0.786270 -0.861946 -0.747716 -0.796123 -0.967131 -0.949023 -0.863677 -0.768413 -0.781541 -0.734780 -0.794424 -0.806149 -0.784670 -0.802330 -0.716815 -0.785227 -0.735252 -0.776892 0.333401 2.455761 1.674282 2.049402 2.456357 2.415110 2.453807 2.440104 2.063065 2.034950 2.043754 2.463815 2.013147 -0.900290 -0.775796 -0.828273 -0.870359 -0.813724 -0.914755 -0.895869 -1.024003 -0.724470 -1.007121 -0.816605 -0.892879 -0.901462 -0.941187 -0.997913 -0.810584 -0.976987 -0.800220 -0.894015 -0.918374 -0.981226 -0.843445 -0.891316 -0.734084 -0.802670 -1.009632 -1.002388 -0.891970 -0.723836 -0.750816 -0.698436 -0.755899 -0.764946 -0.751219 -0.760555 -0.697923 -0.771217 -0.697723 -0.739571 0.410207 1.70571329 -1.94570004 2.89761309 3.88476101 -16.25704347 0.50770583 -0.16978622 19.62923232 7.01368625 -3.37218885 -347.0702 408.2117 -95.6877 -367.8173 -42.7054 -445.0689 Jun10-2024 16:31:34 Nodes: 1 Procs: 1 Jun10-2024 16:31:35 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:37 Nodes: 1 Procs: 1 Jun10-2024 16:31:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:41 Nodes: 1 Procs: 1 Jun10-2024 16:31:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:45 Nodes: 1 Procs: 1 Jun10-2024 16:31:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:31:48 Nodes: 1 Procs: 1 Jun10-2024 16:31:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 16:31:55 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.76785083 -16.16584125 -16.00247827 -16.10386916 -16.25312885 -16.28797475 -16.32642453 -16.33046170 -16.33294218 -16.33305844 -16.33663998 -16.34218356 -16.34562380 -16.34789355 -16.34912303 -16.35061199 -16.35296757 -16.35462182 -16.35479526 -16.35519728 -16.35552539 -16.35565786 -16.35575452 -16.35586553 -16.35592887 -16.35596793 -16.35598992 -16.35600998 -16.35601271 -16.35600213 -16.35598968 -16.35598102 -16.35597918 -16.35598161 GEOMETRY CONVERGED