ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.42 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 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.65 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 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 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 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 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 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:52 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) 1.31 0.06 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 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr15-2024 08:39:52 Nodes: 1 Procs: 1 Apr15-2024 08:39:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr15-2024 08:39:59 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2613.3297610000045 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266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.786 -7.783 -7.618 -7.593 -7.574 -7.554 -7.545 -7.536 -7.257 -7.237 -5.031 -4.671 -4.517 -4.426 -4.185 -4.080 -4.008 -3.902 -3.707 -3.699 A A A A A A A A A A A A A A A A A A A A 0.00000000073243 0.00047979096137 0.00031604013343 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 74 74 74 74 74 74 74 74 74 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 1 0.096759 -2.555694 2.543181 -0.072758 -2.567607 -2.531626 0.128209 2.537258 -2.557080 -0.090291 2.555896 2.549830 2.568027 -2.551776 0.107616 2.550981 2.543227 -0.098027 -2.510304 2.474368 0.091216 -2.556388 -2.520303 -0.100365 2.539691 -0.089888 2.551385 -2.519473 -0.136141 -2.620012 -2.548649 0.077452 2.589262 2.567749 0.080020 -2.557813 0.875994 -0.863494 0.909364 -0.888199 -0.902801 -0.914892 0.897286 0.911000 -0.909965 -0.929022 0.928455 0.849656 -3.024422 -1.154284 1.172537 3.024114 -1.187747 -1.175457 -2.994124 1.174138 -1.133911 3.015835 1.163941 1.165017 1.158226 -1.174916 -3.021887 1.167780 1.182154 3.024832 -1.172570 1.177130 -3.016113 -1.181445 -1.182930 3.043550 -1.149076 2.986644 -1.131572 -1.176630 -2.997818 1.166190 1.167675 3.017333 1.163664 1.181351 -3.028137 -1.166106 3.377306 -1.492455 1.497782 -3.382028 -1.469723 -1.506059 3.381335 1.493192 -1.506682 -3.362773 1.510308 1.493474 1.484703 -1.491492 3.376288 1.493761 1.498408 -3.402933 -1.486425 1.500709 3.379477 -1.496037 -1.518386 -3.420903 -1.504849 -3.364772 -1.502687 -1.503748 3.360317 1.474144 1.492254 -3.378221 1.488409 1.507973 3.384738 -1.503287 -0.188513 -3.761495 3.734565 0.212588 -3.770388 -3.726671 -0.195726 3.754500 -3.727566 0.181475 3.770434 3.734480 3.767437 -3.749693 -0.173142 3.754018 3.737102 0.191660 -3.781488 3.793361 -0.195437 -3.761470 -3.714053 0.182611 -3.732534 0.201475 -3.773403 -3.754304 -0.188789 3.768753 3.737478 0.196866 3.750571 3.751515 -0.211797 -3.754376 -0.006387 0.012814 -0.022228 -4.261786 3.915560 -1.043013 1 3 -3 0.096759 -2.555694 2.543181 Rho 0.4361414E+07 3,-3 2 3 -3 -0.072758 -2.567607 -2.531626 Rho 0.4361414E+07 3,-3 3 3 -3 0.128209 2.537258 -2.557080 Rho 0.4361414E+07 3,-3 4 3 -3 -0.090291 2.555896 2.549830 Rho 0.4361414E+07 3,-3 5 3 -3 2.568027 -2.551776 0.107616 Rho 0.4361414E+07 3,-3 6 3 -3 2.550981 2.543227 -0.098027 Rho 0.4361414E+07 3,-3 7 3 -3 -2.510304 2.474368 0.091216 Rho 0.4361413E+07 3,-3 8 3 -3 -2.556388 -2.520303 -0.100365 Rho 0.4361414E+07 3,-3 9 3 -3 2.539691 -0.089888 2.551385 Rho 0.4361414E+07 3,-3 10 3 -3 -2.519473 -0.136141 -2.620012 Rho 0.1240648E+06 3,-3 11 3 -3 -2.548649 0.077452 2.589262 Rho 0.1240648E+06 3,-3 12 3 -3 2.567749 0.080020 -2.557813 Rho 0.1240648E+06 3,-3 13 3 -3 0.875994 -0.863494 0.909364 Rho 0.3187814E+03 3,-3 14 3 -3 -0.888199 -0.902801 -0.914892 Rho 0.3187812E+03 3,-3 15 3 -3 0.897286 0.911000 -0.909965 Rho 0.3187805E+03 3,-3 16 3 -3 -0.929022 0.928455 0.849656 Rho 0.3187738E+03 3,-3 17 3 -3 -3.024422 -1.154284 1.172537 Rho 0.3189508E+03 3,-3 18 3 -3 3.024114 -1.187747 -1.175457 Rho 0.3189485E+03 3,-3 19 3 -3 -2.994124 1.174138 -1.133911 Rho 0.3190150E+03 3,-3 20 3 -3 3.015835 1.163941 1.165017 Rho 0.3188767E+03 3,-3 21 3 -3 1.158226 -1.174916 -3.021887 Rho 0.3189507E+03 3,-3 22 3 -3 1.167780 1.182154 3.024832 Rho 0.3188767E+03 3,-3 23 3 -3 -1.172570 1.177130 -3.016113 Rho 0.3189493E+03 3,-3 24 3 -3 -1.181445 -1.182930 3.043550 Rho 0.3189573E+03 3,-3 25 3 -3 -1.149076 2.986644 -1.131572 Rho 0.3189201E+03 3,-3 26 3 -3 -1.176630 -2.997818 1.166190 Rho 0.3188797E+03 3,-3 27 3 -3 1.167675 3.017333 1.163664 Rho 0.3188760E+03 3,-3 28 3 -3 1.181351 -3.028137 -1.166106 Rho 0.3188802E+03 3,-3 29 3 -3 3.377306 -1.492455 1.497782 Rho 0.3189747E+03 3,-3 30 3 -3 -3.382028 -1.469723 -1.506059 Rho 0.3190523E+03 3,-3 31 3 -3 3.381335 1.493192 -1.506682 Rho 0.3190511E+03 3,-3 32 3 -3 -3.362773 1.510308 1.493474 Rho 0.3190677E+03 3,-3 33 3 -3 1.484703 -1.491492 3.376288 Rho 0.3189765E+03 3,-3 34 3 -3 1.493761 1.498408 -3.402933 Rho 0.3190496E+03 3,-3 35 3 -3 -1.486425 1.500709 3.379477 Rho 0.3190435E+03 3,-3 36 3 -3 -1.496037 -1.518386 -3.420903 Rho 0.3190702E+03 3,-3 37 3 -3 -1.504849 -3.364772 -1.502687 Rho 0.3189842E+03 3,-3 38 3 -3 -1.503748 3.360317 1.474144 Rho 0.3190140E+03 3,-3 39 3 -3 1.492254 -3.378221 1.488409 Rho 0.3189742E+03 3,-3 40 3 -3 1.507973 3.384738 -1.503287 Rho 0.3189876E+03 3,-3 41 3 -3 -0.188513 -3.761495 3.734565 Rho 0.3194309E+03 3,-3 42 3 -3 0.212588 -3.770388 -3.726671 Rho 0.3194316E+03 3,-3 43 3 -3 -0.195726 3.754500 -3.727566 Rho 0.3194347E+03 3,-3 44 3 -3 0.181475 3.770434 3.734480 Rho 0.3194386E+03 3,-3 45 3 -3 3.767437 -3.749693 -0.173142 Rho 0.3194337E+03 3,-3 46 3 -3 3.754018 3.737102 0.191660 Rho 0.3194291E+03 3,-3 47 3 -3 -3.781488 3.793361 -0.195437 Rho 0.3186890E+03 3,-3 48 3 -3 -3.761470 -3.714053 0.182611 Rho 0.3194293E+03 3,-3 49 3 -3 -3.732534 0.201475 -3.773403 Rho 0.3195900E+03 3,-3 50 3 -3 -3.754304 -0.188789 3.768753 Rho 0.3195865E+03 3,-3 51 3 -3 3.737478 0.196866 3.750571 Rho 0.3194296E+03 3,-3 52 3 -3 3.751515 -0.211797 -3.754376 Rho 0.3195817E+03 3,-3 53 3 -3 -0.006387 0.012814 -0.022228 Rho 0.2439504E+04 3,-3 54 3 -3 -4.261786 3.915560 -1.043013 Rho 0.4425348E+00 3,-3 55 3 -1 -3.192386 3.165902 -0.093091 Rho 0.1771226E+00 |GRAD(Rho)| 0.2477596E-15 GRAD(Rho)x -0.1959153E-15 GRAD(Rho)y 0.9809319E-16 GRAD(Rho)z 0.1156708E-15 Laplacian 0.6873404E+00 (-1/4)Del**2(Rho)) -0.1718351E+00 Diamond 0.1728997E+01 Metallicity 0.5600555E+01 Ellipticity 0.1149824E+00 Gb(Abramov) 0.2749521E+00 Vb(Abramov) -0.3780690E+00 Hb(Abramov) -0.1031170E+00 Ex_ueg -0.7346552E-01 Ec_ueg -0.1020181E-01 Delta_ex -0.7715290E-01 Delta_ec 0.1712036E-01 Delta_et -0.2338359E+00 Pxc 0.7201227E+01 Qxc -0.4506498E+01 3,-1 56 3 +1 -2.914085 -0.137940 -0.141166 Rho 0.5066914E-02 |GRAD(Rho)| 0.5737315E-17 GRAD(Rho)x 0.7688975E-18 GRAD(Rho)y 0.3070607E-17 GRAD(Rho)z -0.4785076E-17 Laplacian 0.2123228E-01 (-1/4)Del**2(Rho)) -0.5308069E-02 Diamond 0.4981332E-03 Metallicity 0.4851274E+00 Ellipticity -0.2551930E+01 Gb(Abramov) 0.3967894E-02 Vb(Abramov) -0.2627720E-02 Hb(Abramov) 0.1340175E-02 Ex_ueg -0.6427515E-03 Ec_ueg -0.1497935E-03 Delta_ex -0.1052948E-02 Delta_ec 0.6589242E-03 Delta_et -0.3596726E-02 Pxc 0.4290917E+01 Qxc -0.1597981E+01 3,+1 57 3 -1 -2.954381 -0.837973 -2.016742 Rho 0.1351024E+00 |GRAD(Rho)| 0.1765344E-13 GRAD(Rho)x 0.5519280E-14 GRAD(Rho)y 0.1201129E-13 GRAD(Rho)z -0.1170087E-13 Laplacian 0.5352971E+00 (-1/4)Del**2(Rho)) -0.1338243E+00 Diamond 0.9491328E+00 Metallicity 0.4579207E+01 Ellipticity 0.4122156E-01 Gb(Abramov) 0.1913510E+00 Vb(Abramov) -0.2488778E+00 Hb(Abramov) -0.5752675E-01 Ex_ueg -0.5119992E-01 Ec_ueg -0.7496789E-02 Delta_ex -0.5595009E-01 Delta_ec 0.1377940E-01 Delta_et -0.1803106E+00 Pxc 0.6829581E+01 Qxc -0.4060415E+01 3,-1 58 3 +3 -2.353452 -0.048449 -0.042702 Rho 0.4481585E-02 |GRAD(Rho)| 0.1425959E-16 GRAD(Rho)x 0.5195574E-17 GRAD(Rho)y 0.1327342E-16 GRAD(Rho)z 0.3976481E-18 Laplacian 0.1885421E-01 (-1/4)Del**2(Rho)) -0.4713553E-02 Diamond 0.1726708E-03 Metallicity 0.4452365E+00 Ellipticity -0.3729761E+00 Gb(Abramov) 0.3492143E-02 Vb(Abramov) -0.2270733E-02 Hb(Abramov) 0.1221410E-02 Ex_ueg -0.5457083E-03 Ec_ueg -0.1246719E-03 Delta_ex -0.6957120E-03 Delta_ec 0.1968544E-03 Delta_et -0.1196619E-02 Pxc 0.4377154E+01 Qxc -0.3534145E+01 3,+3 59 3 +1 -1.695833 -0.528013 0.525597 Rho 0.8478609E-02 |GRAD(Rho)| 0.2735840E-14 GRAD(Rho)x 0.2049013E-14 GRAD(Rho)y 0.1290318E-14 GRAD(Rho)z -0.1273360E-14 Laplacian 0.3499880E-01 (-1/4)Del**2(Rho)) -0.8749700E-02 Diamond 0.9841197E-03 Metallicity 0.6941197E+00 Ellipticity -0.1453432E+01 Gb(Abramov) 0.6845356E-02 Vb(Abramov) -0.4941013E-02 Hb(Abramov) 0.1904343E-02 Ex_ueg -0.1276883E-02 Ec_ueg -0.2995520E-03 Delta_ex -0.1623209E-02 Delta_ec 0.5461722E-03 Delta_et -0.3675634E-02 Pxc 0.4262643E+01 Qxc -0.2971973E+01 3,+1 60 3 -1 -2.781693 -0.571943 1.836467 Rho 0.1325668E+00 |GRAD(Rho)| 0.9958854E-13 GRAD(Rho)x 0.7135285E-13 GRAD(Rho)y -0.1006976E-13 GRAD(Rho)z 0.6874044E-13 Laplacian 0.5575369E+00 (-1/4)Del**2(Rho)) -0.1393842E+00 Diamond 0.9630781E+00 Metallicity 0.4259882E+01 Ellipticity 0.9266307E-02 Gb(Abramov) 0.1918829E+00 Vb(Abramov) -0.2443815E+00 Hb(Abramov) -0.5249865E-01 Ex_ueg -0.4992271E-01 Ec_ueg -0.7337062E-02 Delta_ex -0.5796931E-01 Delta_ec 0.1434989E-01 Delta_et -0.1870919E+00 Pxc 0.6804182E+01 Qxc -0.4039703E+01 3,-1 61 3 +3 -1.108523 1.073681 -1.156117 Rho 0.5182986E-02 |GRAD(Rho)| 0.1800166E-15 GRAD(Rho)x 0.2949755E-16 GRAD(Rho)y 0.7531792E-16 GRAD(Rho)z 0.1608201E-15 Laplacian 0.2182040E-01 (-1/4)Del**2(Rho)) -0.5455099E-02 Diamond 0.1716918E-03 Metallicity 0.4902120E+00 Ellipticity -0.2030389E+00 Gb(Abramov) 0.4082425E-02 Vb(Abramov) -0.2709751E-02 Hb(Abramov) 0.1372674E-02 Ex_ueg -0.6624582E-03 Ec_ueg -0.1547959E-03 Delta_ex -0.7717335E-03 Delta_ec 0.1144824E-03 Delta_et -0.8590383E-03 Pxc 0.4279558E+01 Qxc -0.6741066E+01 3,+3 62 3 -1 -3.169185 0.044368 -3.237393 Rho 0.2460028E+00 |GRAD(Rho)| 0.4473688E-14 GRAD(Rho)x 0.4099585E-14 GRAD(Rho)y 0.1327389E-14 GRAD(Rho)z 0.1202218E-14 Laplacian 0.8668125E+00 (-1/4)Del**2(Rho)) -0.2167031E+00 Diamond 0.3183723E+01 Metallicity 0.7678119E+01 Ellipticity 0.3003106E-02 Gb(Abramov) 0.4217808E+00 Vb(Abramov) -0.6268585E+00 Hb(Abramov) -0.2050777E+00 Ex_ueg -0.1138427E+00 Ec_ueg -0.1485506E-01 Delta_ex -0.1055389E+00 Delta_ec 0.1924271E-01 Delta_et -0.2678164E+00 Pxc 0.7663565E+01 Qxc -0.5484617E+01 3,-1 63 3 -1 -2.749628 1.771615 -0.566352 Rho 0.1758997E+00 |GRAD(Rho)| 0.4073064E-15 GRAD(Rho)x -0.8040714E-16 GRAD(Rho)y -0.2814318E-15 GRAD(Rho)z -0.2832478E-15 Laplacian 0.7427512E+00 (-1/4)Del**2(Rho)) -0.1856878E+00 Diamond 0.1801980E+01 Metallicity 0.5123243E+01 Ellipticity 0.1872217E-01 Gb(Abramov) 0.2823458E+00 Vb(Abramov) -0.3790038E+00 Hb(Abramov) -0.9665802E-01 Ex_ueg -0.7279002E-01 Ec_ueg -0.1012160E-01 Delta_ex -0.8281825E-01 Delta_ec 0.1780135E-01 Delta_et -0.2408742E+00 Pxc 0.7191552E+01 Qxc -0.4652358E+01 3,-1 64 3 -1 -3.194562 -0.064666 3.221016 Rho 0.2461885E+00 |GRAD(Rho)| 0.3490177E-14 GRAD(Rho)x 0.3114317E-14 GRAD(Rho)y -0.1376639E-14 GRAD(Rho)z -0.7663141E-15 Laplacian 0.8599149E+00 (-1/4)Del**2(Rho)) -0.2149787E+00 Diamond 0.3170325E+01 Metallicity 0.7749445E+01 Ellipticity 0.1237568E-02 Gb(Abramov) 0.4209801E+00 Vb(Abramov) -0.6269815E+00 Hb(Abramov) -0.2060014E+00 Ex_ueg -0.1139573E+00 Ec_ueg -0.1486795E-01 Delta_ex -0.1047664E+00 Delta_ec 0.1916858E-01 Delta_et -0.2671665E+00 Pxc 0.7664624E+01 Qxc -0.5465525E+01 3,-1 65 3 -1 -2.751907 0.550001 -1.836882 Rho 0.1036994E+00 |GRAD(Rho)| 0.1068503E-12 GRAD(Rho)x -0.2316653E-13 GRAD(Rho)y 0.6870214E-13 GRAD(Rho)z 0.7848764E-13 Laplacian 0.4285897E+00 (-1/4)Del**2(Rho)) -0.1071474E+00 Diamond 0.5585710E+00 Metallicity 0.3680145E+01 Ellipticity 0.2044671E-01 Gb(Abramov) 0.1371513E+00 Vb(Abramov) -0.1671552E+00 Hb(Abramov) -0.3000387E-01 Ex_ueg -0.3598210E-01 Ec_ueg -0.5549686E-02 Delta_ex -0.4214982E-01 Delta_ec 0.1190343E-01 Delta_et -0.1489853E+00 Pxc 0.6483628E+01 Qxc -0.3540981E+01 3,-1 66 3 -1 -1.672768 -0.510307 -1.733405 Rho 0.3642920E-01 |GRAD(Rho)| 0.1659947E-13 GRAD(Rho)x -0.1081281E-13 GRAD(Rho)y 0.4770404E-14 GRAD(Rho)z -0.1165628E-13 Laplacian 0.1518070E+00 (-1/4)Del**2(Rho)) -0.3795175E-01 Diamond 0.5128917E-01 Metallicity 0.1817206E+01 Ellipticity 0.1473403E-01 Gb(Abramov) 0.3679552E-01 Vb(Abramov) -0.3563930E-01 Hb(Abramov) 0.1156224E-02 Ex_ueg -0.8919037E-02 Ec_ueg -0.1679758E-02 Delta_ex -0.1163120E-01 Delta_ec 0.4680315E-02 Delta_et -0.4535778E-01 Pxc 0.5309717E+01 Qxc -0.2485132E+01 3,-1 67 3 +3 -1.114368 -1.069802 1.126191 Rho 0.4833455E-02 |GRAD(Rho)| 0.1197314E-15 GRAD(Rho)x -0.6349683E-16 GRAD(Rho)y 0.7021335E-16 GRAD(Rho)z -0.7330661E-16 Laplacian 0.1970470E-01 (-1/4)Del**2(Rho)) -0.4926174E-02 Diamond 0.1414487E-03 Metallicity 0.4832141E+00 Ellipticity -0.8873085E-01 Gb(Abramov) 0.3680849E-02 Vb(Abramov) -0.2435524E-02 Hb(Abramov) 0.1245325E-02 Ex_ueg -0.6035714E-03 Ec_ueg -0.1397528E-03 Delta_ex -0.6842123E-03 Delta_ec 0.1042878E-03 Delta_et -0.7700845E-03 Pxc 0.4318852E+01 Qxc -0.6560807E+01 3,+3 68 3 -1 -1.821528 -0.588736 2.810599 Rho 0.1399504E+00 |GRAD(Rho)| 0.7102975E-13 GRAD(Rho)x -0.5314557E-13 GRAD(Rho)y 0.4639115E-13 GRAD(Rho)z -0.8284585E-14 Laplacian 0.5912870E+00 (-1/4)Del**2(Rho)) -0.1478217E+00 Diamond 0.1089126E+01 Metallicity 0.4396481E+01 Ellipticity 0.1551192E-01 Gb(Abramov) 0.2068637E+00 Vb(Abramov) -0.2659057E+00 Hb(Abramov) -0.5904200E-01 Ex_ueg -0.5366412E-01 Ec_ueg -0.7803333E-02 Delta_ex -0.6228444E-01 Delta_ec 0.1499997E-01 Delta_et -0.1971394E+00 Pxc 0.6877077E+01 Qxc -0.4152305E+01 3,-1 69 3 +1 -1.225411 -1.144036 -2.139239 Rho 0.2407506E-01 |GRAD(Rho)| 0.3492666E-16 GRAD(Rho)x 0.1725806E-17 GRAD(Rho)y 0.2849191E-16 GRAD(Rho)z 0.2012721E-16 Laplacian 0.9611683E-01 (-1/4)Del**2(Rho)) -0.2402921E-01 Diamond 0.1305940E-01 Metallicity 0.1439105E+01 Ellipticity -0.5969460E+01 Gb(Abramov) 0.2178290E-01 Vb(Abramov) -0.1953659E-01 Hb(Abramov) 0.2246309E-02 Ex_ueg -0.5134224E-02 Ec_ueg -0.1042258E-02 Delta_ex -0.6046500E-02 Delta_ec 0.1860227E-02 Delta_et -0.1621028E-01 Pxc 0.4926057E+01 Qxc -0.3250409E+01 3,+1 70 3 +1 -0.596939 -0.497920 1.690046 Rho 0.7954650E-02 |GRAD(Rho)| 0.4324340E-15 GRAD(Rho)x -0.1951403E-16 GRAD(Rho)y 0.3426254E-15 GRAD(Rho)z -0.2631088E-15 Laplacian 0.3264985E-01 (-1/4)Del**2(Rho)) -0.8162463E-02 Diamond 0.8441945E-03 Metallicity 0.6690117E+00 Ellipticity -0.1436485E+01 Gb(Abramov) 0.6351773E-02 Vb(Abramov) -0.4541082E-02 Hb(Abramov) 0.1810690E-02 Ex_ueg -0.1172771E-02 Ec_ueg -0.2761985E-03 Delta_ex -0.1491768E-02 Delta_ec 0.5116737E-03 Delta_et -0.3384238E-02 Pxc 0.4246116E+01 Qxc -0.2915468E+01 3,+1 71 3 +3 -1.837047 -1.822972 -1.864887 Rho 0.1218397E-01 |GRAD(Rho)| 0.1208559E-15 GRAD(Rho)x 0.8168921E-16 GRAD(Rho)y 0.6330127E-16 GRAD(Rho)z 0.6265752E-16 Laplacian 0.5565270E-01 (-1/4)Del**2(Rho)) -0.1391317E-01 Diamond 0.1227821E-02 Metallicity 0.7988066E+00 Ellipticity -0.7003323E+00 Gb(Abramov) 0.1112777E-01 Vb(Abramov) -0.8342370E-02 Hb(Abramov) 0.2785402E-02 Ex_ueg -0.2070635E-02 Ec_ueg -0.4680683E-03 Delta_ex -0.2449472E-02 Delta_ec 0.1919072E-03 Delta_et -0.1848660E-02 Pxc 0.4423787E+01 Qxc -0.1276384E+02 3,+3 72 3 -1 -1.708866 0.499106 1.688463 Rho 0.3310029E-01 |GRAD(Rho)| 0.1310104E-12 GRAD(Rho)x 0.8400365E-13 GRAD(Rho)y 0.9623707E-13 GRAD(Rho)z 0.2907803E-13 Laplacian 0.1366403E+00 (-1/4)Del**2(Rho)) -0.3416007E-01 Diamond 0.4029696E-01 Metallicity 0.1720894E+01 Ellipticity 0.1090620E-01 Gb(Abramov) 0.3257102E-01 Vb(Abramov) -0.3098198E-01 Hb(Abramov) 0.1589045E-02 Ex_ueg -0.7849238E-02 Ec_ueg -0.1504605E-02 Delta_ex -0.1021073E-01 Delta_ec 0.4184166E-02 Delta_et -0.3949101E-01 Pxc 0.5216810E+01 Qxc -0.2440326E+01 3,-1 73 3 +1 2.094661 -1.226241 1.123212 Rho 0.2443228E-01 |GRAD(Rho)| 0.8140934E-16 GRAD(Rho)x -0.6106647E-16 GRAD(Rho)y -0.1609174E-16 GRAD(Rho)z -0.5137532E-16 Laplacian 0.9724223E-01 (-1/4)Del**2(Rho)) -0.2431056E-01 Diamond 0.1334309E-01 Metallicity 0.1457801E+01 Ellipticity -0.5771809E+01 Gb(Abramov) 0.2211370E-01 Vb(Abramov) -0.1991684E-01 Hb(Abramov) 0.2196860E-02 Ex_ueg -0.5236049E-02 Ec_ueg -0.1060173E-02 Delta_ex -0.6125280E-02 Delta_ec 0.1854208E-02 Delta_et -0.1622497E-01 Pxc 0.4938863E+01 Qxc -0.3303448E+01 3,+1 74 3 +1 -0.056823 0.047028 2.918147 Rho 0.4726992E-02 |GRAD(Rho)| 0.2496429E-14 GRAD(Rho)x -0.1725306E-14 GRAD(Rho)y 0.1804028E-14 GRAD(Rho)z -0.3096454E-16 Laplacian 0.1936877E-01 (-1/4)Del**2(Rho)) -0.4842194E-02 Diamond 0.4597012E-03 Metallicity 0.4736808E+00 Ellipticity -0.6201692E+01 Gb(Abramov) 0.3610405E-02 Vb(Abramov) -0.2378616E-02 Hb(Abramov) 0.1231789E-02 Ex_ueg -0.5859108E-03 Ec_ueg -0.1351831E-03 Delta_ex -0.9935476E-03 Delta_ec 0.6829003E-03 Delta_et -0.3616992E-02 Pxc 0.4334201E+01 Qxc -0.1454894E+01 3,+1 75 3 +3 0.007766 0.010286 -2.372254 Rho 0.4399211E-02 |GRAD(Rho)| 0.5404009E-17 GRAD(Rho)x -0.1041872E-17 GRAD(Rho)y 0.4297282E-17 GRAD(Rho)z -0.3106635E-17 Laplacian 0.1816101E-01 (-1/4)Del**2(Rho)) -0.4540253E-02 Diamond 0.1650171E-03 Metallicity 0.4481579E+00 Ellipticity -0.3083293E+00 Gb(Abramov) 0.3365960E-02 Vb(Abramov) -0.2191668E-02 Hb(Abramov) 0.1174292E-02 Ex_ueg -0.5323755E-03 Ec_ueg -0.1211507E-03 Delta_ex -0.6701416E-03 Delta_ec 0.1951702E-03 Delta_et -0.1174056E-02 Pxc 0.4394324E+01 Qxc -0.3433627E+01 3,+3 76 3 -1 -0.363441 -0.357924 -0.383886 Rho 0.2040001E+00 |GRAD(Rho)| 0.1480857E-15 GRAD(Rho)x 0.1077128E-15 GRAD(Rho)y 0.6085928E-16 GRAD(Rho)z 0.8138463E-16 Laplacian 0.7411671E+00 (-1/4)Del**2(Rho)) -0.1852918E+00 Diamond 0.2414615E+01 Metallicity 0.6572759E+01 Ellipticity 0.3379375E-02 Gb(Abramov) 0.3265076E+00 Vb(Abramov) -0.4677233E+00 Hb(Abramov) -0.1412158E+00 Ex_ueg -0.8869360E-01 Ec_ueg -0.1198615E-01 Delta_ex -0.8757156E-01 Delta_ec 0.2020628E-01 Delta_et -0.2883310E+00 Pxc 0.7399673E+01 Qxc -0.4333878E+01 3,-1 77 3 +1 -1.743855 1.736545 -1.754656 Rho 0.1246556E-01 |GRAD(Rho)| 0.1804275E-16 GRAD(Rho)x -0.2312215E-17 GRAD(Rho)y -0.1027430E-16 GRAD(Rho)z -0.1465037E-16 Laplacian 0.6306181E-01 (-1/4)Del**2(Rho)) -0.1576545E-01 Diamond 0.2675821E-02 Metallicity 0.7323180E+00 Ellipticity -0.1267297E+01 Gb(Abramov) 0.1243452E-01 Vb(Abramov) -0.9103593E-02 Hb(Abramov) 0.3330930E-02 Ex_ueg -0.2134687E-02 Ec_ueg -0.4811033E-03 Delta_ex -0.3134793E-02 Delta_ec 0.8251505E-03 Delta_et -0.6240043E-02 Pxc 0.4437065E+01 Qxc -0.3799056E+01 3,+1 78 3 -1 -0.380760 0.384575 0.327225 Rho 0.1989325E+00 |GRAD(Rho)| 0.2511744E-15 GRAD(Rho)x 0.1617745E-15 GRAD(Rho)y -0.4748963E-17 GRAD(Rho)z -0.1920808E-15 Laplacian 0.6881049E+00 (-1/4)Del**2(Rho)) -0.1720262E+00 Diamond 0.2186627E+01 Metallicity 0.6788933E+01 Ellipticity 0.1418985E-01 Gb(Abramov) 0.3093299E+00 Vb(Abramov) -0.4466336E+00 Hb(Abramov) -0.1373037E+00 Ex_ueg -0.8576817E-01 Ec_ueg -0.1164661E-01 Delta_ex -0.8087564E-01 Delta_ec 0.1902184E-01 Delta_et -0.2709704E+00 Pxc 0.7364216E+01 Qxc -0.4251726E+01 3,-1 79 3 +3 -0.065517 0.049284 2.353270 Rho 0.4153252E-02 |GRAD(Rho)| 0.4374179E-17 GRAD(Rho)x 0.7711446E-18 GRAD(Rho)y -0.3717473E-17 GRAD(Rho)z -0.2172365E-17 Laplacian 0.1709207E-01 (-1/4)Del**2(Rho)) -0.4273017E-02 Diamond 0.1379707E-03 Metallicity 0.4326457E+00 Ellipticity -0.2340369E+00 Gb(Abramov) 0.3156795E-02 Vb(Abramov) -0.2040573E-02 Hb(Abramov) 0.1116222E-02 Ex_ueg -0.4930634E-03 Ec_ueg -0.1106578E-03 Delta_ex -0.6149913E-03 Delta_ec 0.1715948E-03 Delta_et -0.1031939E-02 Pxc 0.4455750E+01 Qxc -0.3583975E+01 3,+3 80 3 +1 0.083579 0.086725 -2.901835 Rho 0.4910232E-02 |GRAD(Rho)| 0.1193402E-16 GRAD(Rho)x -0.8104049E-17 GRAD(Rho)y 0.8718688E-17 GRAD(Rho)z 0.8541896E-18 Laplacian 0.2009642E-01 (-1/4)Del**2(Rho)) -0.5024104E-02 Diamond 0.4882858E-03 Metallicity 0.4864048E+00 Ellipticity -0.5564787E+01 Gb(Abramov) 0.3756694E-02 Vb(Abramov) -0.2489284E-02 Hb(Abramov) 0.1267410E-02 Ex_ueg -0.6163883E-03 Ec_ueg -0.1430518E-03 Delta_ex -0.1025097E-02 Delta_ec 0.6853199E-03 Delta_et -0.3680397E-02 Pxc 0.4308848E+01 Qxc -0.1495793E+01 3,+1 81 3 +1 -0.548454 0.539133 -1.695648 Rho 0.8759388E-02 |GRAD(Rho)| 0.1269691E-16 GRAD(Rho)x -0.7251119E-17 GRAD(Rho)y 0.3922165E-17 GRAD(Rho)z -0.9656571E-17 Laplacian 0.3640276E-01 (-1/4)Del**2(Rho)) -0.9100690E-02 Diamond 0.1072159E-02 Metallicity 0.7045878E+00 Ellipticity -0.1461603E+01 Gb(Abramov) 0.7135832E-02 Vb(Abramov) -0.5170975E-02 Hb(Abramov) 0.1964857E-02 Ex_ueg -0.1333573E-02 Ec_ueg -0.3121172E-03 Delta_ex -0.1702996E-02 Delta_ec 0.5697734E-03 Delta_et -0.3866328E-02 Pxc 0.4272667E+01 Qxc -0.2988901E+01 3,+1 82 3 +1 -0.505366 1.677985 -0.569343 Rho 0.9694313E-02 |GRAD(Rho)| 0.5991754E-17 GRAD(Rho)x 0.1105126E-17 GRAD(Rho)y -0.2715778E-17 GRAD(Rho)z -0.5225358E-17 Laplacian 0.4183667E-01 (-1/4)Del**2(Rho)) -0.1045917E-01 Diamond 0.1372944E-02 Metallicity 0.7259686E+00 Ellipticity -0.1426698E+01 Gb(Abramov) 0.8238283E-02 Vb(Abramov) -0.6017398E-02 Hb(Abramov) 0.2220885E-02 Ex_ueg -0.1526656E-02 Ec_ueg -0.3542049E-03 Delta_ex -0.1991406E-02 Delta_ec 0.6261695E-03 Delta_et -0.4383931E-02 Pxc 0.4310092E+01 Qxc -0.3180298E+01 3,+1 83 3 +1 0.498082 0.594138 1.676086 Rho 0.8361373E-02 |GRAD(Rho)| 0.3338377E-17 GRAD(Rho)x -0.1957781E-17 GRAD(Rho)y 0.1506872E-17 GRAD(Rho)z -0.2245259E-17 Laplacian 0.3452116E-01 (-1/4)Del**2(Rho)) -0.8630290E-02 Diamond 0.9366218E-03 Metallicity 0.6875808E+00 Ellipticity -0.1428688E+01 Gb(Abramov) 0.6742531E-02 Vb(Abramov) -0.4854771E-02 Hb(Abramov) 0.1887760E-02 Ex_ueg -0.1253397E-02 Ec_ueg -0.2943160E-03 Delta_ex -0.1588122E-02 Delta_ec 0.5254783E-03 Delta_et -0.3533169E-02 Pxc 0.4258677E+01 Qxc -0.3022241E+01 3,+1 84 3 +1 1.228655 -2.088624 1.124171 Rho 0.2413172E-01 |GRAD(Rho)| 0.2924796E-16 GRAD(Rho)x -0.1315593E-16 GRAD(Rho)y 0.2609531E-16 GRAD(Rho)z 0.1182966E-17 Laplacian 0.9579635E-01 (-1/4)Del**2(Rho)) -0.2394909E-01 Diamond 0.1293414E-01 Metallicity 0.1449588E+01 Ellipticity -0.5716968E+01 Gb(Abramov) 0.2175211E-01 Vb(Abramov) -0.1955513E-01 Hb(Abramov) 0.2196978E-02 Ex_ueg -0.5150342E-02 Ec_ueg -0.1045098E-02 Delta_ex -0.6015944E-02 Delta_ec 0.1828865E-02 Delta_et -0.1595225E-01 Pxc 0.4928097E+01 Qxc -0.3289441E+01 3,+1 85 3 -1 0.582551 -1.820594 -2.776275 Rho 0.1462659E+00 |GRAD(Rho)| 0.1444046E-11 GRAD(Rho)x 0.9247204E-12 GRAD(Rho)y 0.1053352E-11 GRAD(Rho)z -0.3472884E-12 Laplacian 0.6140366E+00 (-1/4)Del**2(Rho)) -0.1535092E+00 Diamond 0.1208077E+01 Metallicity 0.4556775E+01 Ellipticity 0.9553798E-02 Gb(Abramov) 0.2189239E+00 Vb(Abramov) -0.2843386E+00 Hb(Abramov) -0.6541473E-01 Ex_ueg -0.5691709E-01 Ec_ueg -0.8204911E-02 Delta_ex -0.6554377E-01 Delta_ec 0.1569256E-01 Delta_et -0.2081909E+00 Pxc 0.6936954E+01 Qxc -0.4176741E+01 3,-1 86 3 +1 1.761326 -1.759359 -1.762984 Rho 0.1226434E-01 |GRAD(Rho)| 0.2614305E-13 GRAD(Rho)x 0.1094838E-13 GRAD(Rho)y 0.2084174E-13 GRAD(Rho)z -0.1136723E-13 Laplacian 0.6208455E-01 (-1/4)Del**2(Rho)) -0.1552114E-01 Diamond 0.2568091E-02 Metallicity 0.7239415E+00 Ellipticity -0.1249731E+01 Gb(Abramov) 0.1222016E-01 Vb(Abramov) -0.8919178E-02 Hb(Abramov) 0.3300980E-02 Ex_ueg -0.2088867E-02 Ec_ueg -0.4717858E-03 Delta_ex -0.3070705E-02 Delta_ec 0.8083018E-03 Delta_et -0.6091413E-02 Pxc 0.4427576E+01 Qxc -0.3798958E+01 3,+1 87 3 +1 0.564393 -1.684668 -0.527125 Rho 0.8423165E-02 |GRAD(Rho)| 0.2524004E-15 GRAD(Rho)x -0.1551732E-15 GRAD(Rho)y 0.1858987E-15 GRAD(Rho)z 0.7119652E-16 Laplacian 0.3483847E-01 (-1/4)Del**2(Rho)) -0.8709616E-02 Diamond 0.9669885E-03 Metallicity 0.6897308E+00 Ellipticity -0.1443465E+01 Gb(Abramov) 0.6807626E-02 Vb(Abramov) -0.4905636E-02 Hb(Abramov) 0.1901990E-02 Ex_ueg -0.1265762E-02 Ec_ueg -0.2970750E-03 Delta_ex -0.1611331E-02 Delta_ec 0.5404303E-03 Delta_et -0.3633085E-02 Pxc 0.4260750E+01 Qxc -0.2981570E+01 3,+1 88 3 -1 -0.827011 -1.998726 -2.984276 Rho 0.1296517E+00 |GRAD(Rho)| 0.5481366E-13 GRAD(Rho)x 0.1042984E-13 GRAD(Rho)y 0.3740329E-13 GRAD(Rho)z -0.3868784E-13 Laplacian 0.5179750E+00 (-1/4)Del**2(Rho)) -0.1294937E+00 Diamond 0.8879788E+00 Metallicity 0.4418429E+01 Ellipticity 0.1843165E-01 Gb(Abramov) 0.1816890E+00 Vb(Abramov) -0.2338842E+00 Hb(Abramov) -0.5219523E-01 Ex_ueg -0.4846436E-01 Ec_ueg -0.7153950E-02 Delta_ex -0.5377023E-01 Delta_ec 0.1376679E-01 Delta_et -0.1795469E+00 Pxc 0.6774490E+01 Qxc -0.3905792E+01 3,-1 89 3 -1 0.834361 -1.977096 2.967596 Rho 0.1442168E+00 |GRAD(Rho)| 0.2618944E-15 GRAD(Rho)x 0.1526015E-15 GRAD(Rho)y -0.1810618E-16 GRAD(Rho)z 0.2120699E-15 Laplacian 0.5753754E+00 (-1/4)Del**2(Rho)) -0.1438439E+00 Diamond 0.1116939E+01 Metallicity 0.4749942E+01 Ellipticity 0.2810854E-01 Gb(Abramov) 0.2097709E+00 Vb(Abramov) -0.2756979E+00 Hb(Abramov) -0.6592704E-01 Ex_ueg -0.5585639E-01 Ec_ueg -0.8074340E-02 Delta_ex -0.6124673E-01 Delta_ec 0.1482963E-01 Delta_et -0.1965019E+00 Pxc 0.6917766E+01 Qxc -0.4130024E+01 3,-1 90 3 +3 1.124594 -1.104622 -1.101527 Rho 0.4885559E-02 |GRAD(Rho)| 0.1134979E-15 GRAD(Rho)x -0.7679990E-16 GRAD(Rho)y -0.5798403E-16 GRAD(Rho)z 0.6017807E-16 Laplacian 0.1992267E-01 (-1/4)Del**2(Rho)) -0.4980666E-02 Diamond 0.1446063E-03 Metallicity 0.4865448E+00 Ellipticity -0.8048294E-01 Gb(Abramov) 0.3724331E-02 Vb(Abramov) -0.2467995E-02 Hb(Abramov) 0.1256336E-02 Ex_ueg -0.6122622E-03 Ec_ueg -0.1419913E-03 Delta_ex -0.6933138E-03 Delta_ec 0.1045558E-03 Delta_et -0.7757818E-03 Pxc 0.4311970E+01 Qxc -0.6631038E+01 3,+3 91 3 -1 0.477883 -1.673871 1.690585 Rho 0.3863077E-01 |GRAD(Rho)| 0.3708377E-16 GRAD(Rho)x 0.2206711E-16 GRAD(Rho)y 0.2585293E-16 GRAD(Rho)z -0.1482816E-16 Laplacian 0.1530276E+00 (-1/4)Del**2(Rho)) -0.3825690E-01 Diamond 0.5379583E-01 Metallicity 0.1987920E+01 Ellipticity 0.1450544E-01 Gb(Abramov) 0.3817988E-01 Vb(Abramov) -0.3810285E-01 Hb(Abramov) 0.7702338E-04 Ex_ueg -0.9644865E-02 Ec_ueg -0.1796807E-02 Delta_ex -0.1176070E-01 Delta_ec 0.4477767E-02 Delta_et -0.4407618E-01 Pxc 0.5367780E+01 Qxc -0.2626466E+01 3,-1 92 3 +1 1.989947 -1.991500 1.992999 Rho 0.1268444E-01 |GRAD(Rho)| 0.2682136E-15 GRAD(Rho)x -0.1641659E-15 GRAD(Rho)y 0.1652647E-15 GRAD(Rho)z -0.1329499E-15 Laplacian 0.6013514E-01 (-1/4)Del**2(Rho)) -0.1503379E-01 Diamond 0.2173790E-02 Metallicity 0.7905639E+00 Ellipticity -0.1164924E+01 Gb(Abramov) 0.1200339E-01 Vb(Abramov) -0.8972985E-02 Hb(Abramov) 0.3030400E-02 Ex_ueg -0.2184809E-02 Ec_ueg -0.4912566E-03 Delta_ex -0.2885141E-02 Delta_ec 0.5762520E-03 Delta_et -0.4532000E-02 Pxc 0.4447388E+01 Qxc -0.5006735E+01 3,+1 93 3 +1 0.556483 -0.523371 -1.695628 Rho 0.8712038E-02 |GRAD(Rho)| 0.8689757E-17 GRAD(Rho)x 0.3133864E-18 GRAD(Rho)y -0.4895190E-17 GRAD(Rho)z -0.7172920E-17 Laplacian 0.3623982E-01 (-1/4)Del**2(Rho)) -0.9059955E-02 Diamond 0.1056749E-02 Metallicity 0.7013907E+00 Ellipticity -0.1455076E+01 Gb(Abramov) 0.7099065E-02 Vb(Abramov) -0.5138175E-02 Hb(Abramov) 0.1960890E-02 Ex_ueg -0.1323970E-02 Ec_ueg -0.3099958E-03 Delta_ex -0.1691865E-02 Delta_ec 0.5650368E-03 Delta_et -0.3830299E-02 Pxc 0.4270928E+01 Qxc -0.2994256E+01 3,+1 94 3 +1 1.142317 -1.188127 2.112360 Rho 0.2550817E-01 |GRAD(Rho)| 0.8771054E-16 GRAD(Rho)x -0.1370973E-17 GRAD(Rho)y -0.2251023E-16 GRAD(Rho)z 0.8476172E-16 Laplacian 0.1038462E+00 (-1/4)Del**2(Rho)) -0.2596154E-01 Diamond 0.1547975E-01 Metallicity 0.1466745E+01 Ellipticity -0.7398314E+01 Gb(Abramov) 0.2365419E-01 Vb(Abramov) -0.2134684E-01 Hb(Abramov) 0.2307353E-02 Ex_ueg -0.5545713E-02 Ec_ueg -0.1114333E-02 Delta_ex -0.6653817E-02 Delta_ec 0.2048423E-02 Delta_et -0.1810862E-01 Pxc 0.4976708E+01 Qxc -0.3248262E+01 3,+1 95 3 -1 1.826053 -2.789415 -0.569212 Rho 0.1384409E+00 |GRAD(Rho)| 0.1830235E-15 GRAD(Rho)x -0.7658533E-16 GRAD(Rho)y -0.8421540E-16 GRAD(Rho)z -0.1433180E-15 Laplacian 0.5866644E+00 (-1/4)Del**2(Rho)) -0.1466661E+00 Diamond 0.1085614E+01 Metallicity 0.4351753E+01 Ellipticity 0.1085082E-01 Gb(Abramov) 0.2041531E+00 Vb(Abramov) -0.2616402E+00 Hb(Abramov) -0.5748706E-01 Ex_ueg -0.5289374E-01 Ec_ueg -0.7707723E-02 Delta_ex -0.6184454E-01 Delta_ec 0.1529815E-01 Delta_et -0.2015204E+00 Pxc 0.6862435E+01 Qxc -0.4042615E+01 3,-1 96 3 -1 1.687617 -1.673458 0.502474 Rho 0.3527716E-01 |GRAD(Rho)| 0.8455911E-15 GRAD(Rho)x 0.5718871E-15 GRAD(Rho)y -0.5647319E-15 GRAD(Rho)z -0.2627687E-15 Laplacian 0.1369380E+00 (-1/4)Del**2(Rho)) -0.3423450E-01 Diamond 0.4198050E-01 Metallicity 0.1909465E+01 Ellipticity 0.1266950E-01 Gb(Abramov) 0.3371793E-01 Vb(Abramov) -0.3320137E-01 Hb(Abramov) 0.5165674E-03 Ex_ueg -0.8544956E-02 Ec_ueg -0.1618886E-02 Delta_ex -0.1025170E-01 Delta_ec 0.3939906E-02 Delta_et -0.3783645E-01 Pxc 0.5278295E+01 Qxc -0.2602016E+01 3,-1 97 3 +3 0.020496 -2.350166 0.009477 Rho 0.4340334E-02 |GRAD(Rho)| 0.4494621E-16 GRAD(Rho)x 0.2674322E-16 GRAD(Rho)y -0.2916658E-16 GRAD(Rho)z -0.2131367E-16 Laplacian 0.1794483E-01 (-1/4)Del**2(Rho)) -0.4486206E-02 Diamond 0.1566959E-03 Metallicity 0.4434853E+00 Ellipticity -0.2742639E+00 Gb(Abramov) 0.3322399E-02 Vb(Abramov) -0.2158591E-02 Hb(Abramov) 0.1163808E-02 Ex_ueg -0.5228968E-03 Ec_ueg -0.1186361E-03 Delta_ex -0.6561290E-03 Delta_ec 0.1860239E-03 Delta_et -0.1123441E-02 Pxc 0.4407569E+01 Qxc -0.3527122E+01 3,+3 98 3 +3 1.815047 -1.816069 1.815676 Rho 0.1231499E-01 |GRAD(Rho)| 0.6948332E-17 GRAD(Rho)x 0.1940418E-18 GRAD(Rho)y 0.4086525E-17 GRAD(Rho)z -0.5616225E-17 Laplacian 0.5616724E-01 (-1/4)Del**2(Rho)) -0.1404181E-01 Diamond 0.1216625E-02 Metallicity 0.8057246E+00 Ellipticity -0.6548419E+00 Gb(Abramov) 0.1124685E-01 Vb(Abramov) -0.8451881E-02 Hb(Abramov) 0.2794965E-02 Ex_ueg -0.2100376E-02 Ec_ueg -0.4741294E-03 Delta_ex -0.2468432E-02 Delta_ec 0.1730929E-03 Delta_et -0.1727402E-02 Pxc 0.4429963E+01 Qxc -0.1426073E+02 3,+3 99 3 -1 1.983220 -2.972913 0.841382 Rho 0.1444982E+00 |GRAD(Rho)| 0.2925301E-13 GRAD(Rho)x 0.1808421E-13 GRAD(Rho)y 0.9539502E-14 GRAD(Rho)z -0.2092123E-13 Laplacian 0.5790293E+00 (-1/4)Del**2(Rho)) -0.1447573E+00 Diamond 0.1126953E+01 Metallicity 0.4735328E+01 Ellipticity 0.2529192E-01 Gb(Abramov) 0.2107504E+00 Vb(Abramov) -0.2767436E+00 Hb(Abramov) -0.6599313E-01 Ex_ueg -0.5600176E-01 Ec_ueg -0.8092255E-02 Delta_ex -0.6166802E-01 Delta_ec 0.1492203E-01 Delta_et -0.1977945E+00 Pxc 0.6920414E+01 Qxc -0.4132683E+01 3,-1 100 3 -1 2.793976 -1.820892 -0.575486 Rho 0.1440601E+00 |GRAD(Rho)| 0.2174070E-12 GRAD(Rho)x 0.6003952E-13 GRAD(Rho)y 0.1505933E-12 GRAD(Rho)z -0.1448542E-12 Laplacian 0.6071401E+00 (-1/4)Del**2(Rho)) -0.1517850E+00 Diamond 0.1175397E+01 Metallicity 0.4493284E+01 Ellipticity 0.1136448E-01 Gb(Abramov) 0.2148589E+00 Vb(Abramov) -0.2779328E+00 Hb(Abramov) -0.6307387E-01 Ex_ueg -0.5577550E-01 Ec_ueg -0.8064367E-02 Delta_ex -0.6459331E-01 Delta_ec 0.1562122E-01 Delta_et -0.2068902E+00 Pxc 0.6916289E+01 Qxc -0.4134971E+01 3,-1 101 3 -1 2.980028 -1.975844 0.847310 Rho 0.1480963E+00 |GRAD(Rho)| 0.7640773E-15 GRAD(Rho)x -0.1559625E-15 GRAD(Rho)y -0.3659860E-15 GRAD(Rho)z -0.6523373E-15 Laplacian 0.5930503E+00 (-1/4)Del**2(Rho)) -0.1482626E+00 Diamond 0.1187866E+01 Metallicity 0.4816836E+01 Ellipticity 0.3129682E-01 Gb(Abramov) 0.2178678E+00 Vb(Abramov) -0.2874730E+00 Hb(Abramov) -0.6960523E-01 Ex_ueg -0.5786872E-01 Ec_ueg -0.8321760E-02 Delta_ex -0.6353257E-01 Delta_ec 0.1517340E-01 Delta_et -0.2018045E+00 Pxc 0.6953905E+01 Qxc -0.4187102E+01 3,-1 102 3 -1 -2.788593 -1.788226 0.577756 Rho 0.1450314E+00 |GRAD(Rho)| 0.2366715E-15 GRAD(Rho)x 0.4047462E-16 GRAD(Rho)y 0.1711007E-15 GRAD(Rho)z -0.1584290E-15 Laplacian 0.6107662E+00 (-1/4)Del**2(Rho)) -0.1526915E+00 Diamond 0.1190897E+01 Metallicity 0.4516910E+01 Ellipticity 0.1137591E-01 Gb(Abramov) 0.2167434E+00 Vb(Abramov) -0.2807952E+00 Hb(Abramov) -0.6405182E-01 Ex_ueg -0.5627744E-01 Ec_ueg -0.8126213E-02 Delta_ex -0.6507439E-01 Delta_ec 0.1566813E-01 Delta_et -0.2076708E+00 Pxc 0.6925421E+01 Qxc -0.4153297E+01 3,-1 103 3 +1 -0.542670 -1.670178 0.538188 Rho 0.8713775E-02 |GRAD(Rho)| 0.4370594E-16 GRAD(Rho)x 0.5912625E-17 GRAD(Rho)y 0.3929097E-16 GRAD(Rho)z 0.1820631E-16 Laplacian 0.3639046E-01 (-1/4)Del**2(Rho)) -0.9097616E-02 Diamond 0.1051306E-02 Metallicity 0.6987194E+00 Ellipticity -0.1439951E+01 Gb(Abramov) 0.7124524E-02 Vb(Abramov) -0.5151432E-02 Hb(Abramov) 0.1973092E-02 Ex_ueg -0.1324322E-02 Ec_ueg -0.3100736E-03 Delta_ex -0.1694500E-02 Delta_ec 0.5593829E-03 Delta_et -0.3798015E-02 Pxc 0.4270992E+01 Qxc -0.3029231E+01 3,+1 104 3 +1 -2.096415 0.944691 1.418093 Rho 0.2483455E-01 |GRAD(Rho)| 0.2628388E-16 GRAD(Rho)x -0.2947287E-17 GRAD(Rho)y -0.1344830E-19 GRAD(Rho)z 0.2611811E-16 Laplacian 0.9922711E-01 (-1/4)Del**2(Rho)) -0.2480678E-01 Diamond 0.1101311E-01 Metallicity 0.1468058E+01 Ellipticity -0.2122451E+01 Gb(Abramov) 0.2260748E-01 Vb(Abramov) -0.2040819E-01 Hb(Abramov) 0.2199293E-02 Ex_ueg -0.5351310E-02 Ec_ueg -0.1080388E-02 Delta_ex -0.5958120E-02 Delta_ec 0.1322556E-02 Delta_et -0.1174097E-01 Pxc 0.4953139E+01 Qxc -0.4505003E+01 3,+1 105 3 +1 -1.683730 0.492882 -0.602032 Rho 0.9096410E-02 |GRAD(Rho)| 0.1606463E-16 GRAD(Rho)x 0.9498019E-19 GRAD(Rho)y -0.1500368E-16 GRAD(Rho)z 0.5740455E-17 Laplacian 0.3901937E-01 (-1/4)Del**2(Rho)) -0.9754843E-02 Diamond 0.1226585E-02 Metallicity 0.7000293E+00 Ellipticity -0.1455694E+01 Gb(Abramov) 0.7641342E-02 Vb(Abramov) -0.5527840E-02 Hb(Abramov) 0.2113502E-02 Ex_ueg -0.1402421E-02 Ec_ueg -0.3272452E-03 Delta_ex -0.1849663E-02 Delta_ec 0.6232258E-03 Delta_et -0.4262345E-02 Pxc 0.4285536E+01 Qxc -0.2967886E+01 3,+1 106 3 -1 -2.959715 0.831138 2.001775 Rho 0.1222727E+00 |GRAD(Rho)| 0.6495064E-12 GRAD(Rho)x -0.2584479E-12 GRAD(Rho)y 0.4708510E-12 GRAD(Rho)z -0.3651885E-12 Laplacian 0.4875526E+00 (-1/4)Del**2(Rho)) -0.1218882E+00 Diamond 0.7692407E+00 Metallicity 0.4257363E+01 Ellipticity 0.4631950E-01 Gb(Abramov) 0.1677458E+00 Vb(Abramov) -0.2136034E+00 Hb(Abramov) -0.4585764E-01 Ex_ueg -0.4482197E-01 Ec_ueg -0.6692986E-02 Delta_ex -0.4977946E-01 Delta_ec 0.1291077E-01 Delta_et -0.1663384E+00 Pxc 0.6696857E+01 Qxc -0.3855653E+01 3,-1 107 3 -1 1.672061 -0.467554 1.693922 Rho 0.3998999E-01 |GRAD(Rho)| 0.1243604E-14 GRAD(Rho)x 0.9041956E-15 GRAD(Rho)y 0.3712555E-15 GRAD(Rho)z 0.7688632E-15 Laplacian 0.1593490E+00 (-1/4)Del**2(Rho)) -0.3983726E-01 Diamond 0.5895847E-01 Metallicity 0.2022317E+01 Ellipticity 0.1208067E-01 Gb(Abramov) 0.3998543E-01 Vb(Abramov) -0.4013360E-01 Hb(Abramov) -0.1481736E-03 Ex_ueg -0.1009997E-01 Ec_ueg -0.1869530E-02 Delta_ex -0.1236627E-01 Delta_ec 0.4686856E-02 Delta_et -0.4656826E-01 Pxc 0.5402412E+01 Qxc -0.2638500E+01 3,-1 108 3 +1 -1.766522 -1.740680 1.768979 Rho 0.1228591E-01 |GRAD(Rho)| 0.4887308E-14 GRAD(Rho)x 0.9106986E-15 GRAD(Rho)y -0.3489596E-14 GRAD(Rho)z 0.3298352E-14 Laplacian 0.6220636E-01 (-1/4)Del**2(Rho)) -0.1555159E-01 Diamond 0.2575832E-02 Metallicity 0.7246425E+00 Ellipticity -0.1244458E+01 Gb(Abramov) 0.1224595E-01 Vb(Abramov) -0.8940310E-02 Hb(Abramov) 0.3305639E-02 Ex_ueg -0.2093765E-02 Ec_ueg -0.4727835E-03 Delta_ex -0.3077175E-02 Delta_ec 0.8081348E-03 Delta_et -0.6094094E-02 Pxc 0.4428592E+01 Qxc -0.3807750E+01 3,+1 109 3 +3 1.091418 1.113677 1.109172 Rho 0.4960127E-02 |GRAD(Rho)| 0.2942685E-11 GRAD(Rho)x 0.7150207E-12 GRAD(Rho)y -0.2061134E-11 GRAD(Rho)z -0.1974808E-11 Laplacian 0.2034015E-01 (-1/4)Del**2(Rho)) -0.5085038E-02 Diamond 0.1500401E-03 Metallicity 0.4887426E+00 Ellipticity -0.9584256E-01 Gb(Abramov) 0.3804238E-02 Vb(Abramov) -0.2523438E-02 Hb(Abramov) 0.1280800E-02 Ex_ueg -0.6247536E-03 Ec_ueg -0.1451973E-03 Delta_ex -0.7101387E-03 Delta_ec 0.1055983E-03 Delta_et -0.7885590E-03 Pxc 0.4302791E+01 Qxc -0.6724905E+01 3,+3 110 3 +3 2.353313 -0.000712 -0.021555 Rho 0.4290626E-02 |GRAD(Rho)| 0.3911859E-15 GRAD(Rho)x 0.2616712E-16 GRAD(Rho)y 0.2349728E-16 GRAD(Rho)z -0.3896018E-15 Laplacian 0.1772214E-01 (-1/4)Del**2(Rho)) -0.4430534E-02 Diamond 0.1526901E-03 Metallicity 0.4405192E+00 Ellipticity -0.2981231E+00 Gb(Abramov) 0.3278979E-02 Vb(Abramov) -0.2127423E-02 Hb(Abramov) 0.1151555E-02 Ex_ueg -0.5149273E-03 Ec_ueg -0.1165144E-03 Delta_ex -0.6465069E-03 Delta_ec 0.1843962E-03 Delta_et -0.1109569E-02 Pxc 0.4419429E+01 Qxc -0.3506074E+01 3,+3 111 3 +3 0.037609 2.348666 -0.009178 Rho 0.4719778E-02 |GRAD(Rho)| 0.3414185E-17 GRAD(Rho)x 0.7391851E-18 GRAD(Rho)y 0.1058937E-17 GRAD(Rho)z 0.3160524E-17 Laplacian 0.1989197E-01 (-1/4)Del**2(Rho)) -0.4972991E-02 Diamond 0.1927701E-03 Metallicity 0.4600496E+00 Ellipticity -0.3286089E+00 Gb(Abramov) 0.3696631E-02 Vb(Abramov) -0.2420271E-02 Hb(Abramov) 0.1276360E-02 Ex_ueg -0.5847189E-03 Ec_ueg -0.1348737E-03 Delta_ex -0.7409421E-03 Delta_ec 0.2029358E-03 Delta_et -0.1255393E-02 Pxc 0.4335307E+01 Qxc -0.3651115E+01 3,+3 112 3 +1 0.162106 2.897248 -0.141968 Rho 0.5319314E-02 |GRAD(Rho)| 0.4678815E-17 GRAD(Rho)x -0.2164238E-17 GRAD(Rho)y 0.1280008E-18 GRAD(Rho)z 0.4146203E-17 Laplacian 0.2226516E-01 (-1/4)Del**2(Rho)) -0.5566290E-02 Diamond 0.5532972E-03 Metallicity 0.5016645E+00 Ellipticity -0.2722052E+01 Gb(Abramov) 0.4176262E-02 Vb(Abramov) -0.2786233E-02 Hb(Abramov) 0.1390028E-02 Ex_ueg -0.6857922E-03 Ec_ueg -0.1606800E-03 Delta_ex -0.1110963E-02 Delta_ec 0.6843274E-03 Delta_et -0.3792904E-02 Pxc 0.4268063E+01 Qxc -0.1623438E+01 3,+1 113 3 +1 -2.099350 -1.058653 -1.321976 Rho 0.2471542E-01 |GRAD(Rho)| 0.4905322E-16 GRAD(Rho)x 0.4718439E-16 GRAD(Rho)y 0.1334208E-16 GRAD(Rho)z -0.1356627E-17 Laplacian 0.9889321E-01 (-1/4)Del**2(Rho)) -0.2472330E-01 Diamond 0.1343315E-01 Metallicity 0.1461258E+01 Ellipticity -0.4501099E+01 Gb(Abramov) 0.2250339E-01 Vb(Abramov) -0.2028347E-01 Hb(Abramov) 0.2219915E-02 Ex_ueg -0.5317112E-02 Ec_ueg -0.1074397E-02 Delta_ex -0.6209182E-02 Delta_ec 0.1816211E-02 Delta_et -0.1595403E-01 Pxc 0.4948927E+01 Qxc -0.3418755E+01 3,+1 114 3 +1 1.677866 0.555940 0.530220 Rho 0.8726398E-02 |GRAD(Rho)| 0.7182600E-17 GRAD(Rho)x 0.5152563E-17 GRAD(Rho)y -0.5002902E-17 GRAD(Rho)z 0.1086899E-18 Laplacian 0.3646099E-01 (-1/4)Del**2(Rho)) -0.9115248E-02 Diamond 0.1050295E-02 Metallicity 0.6990524E+00 Ellipticity -0.1434714E+01 Gb(Abramov) 0.7138838E-02 Vb(Abramov) -0.5162428E-02 Hb(Abramov) 0.1976410E-02 Ex_ueg -0.1326880E-02 Ec_ueg -0.3106391E-03 Delta_ex -0.1696132E-02 Delta_ec 0.5564218E-03 Delta_et -0.3782342E-02 Pxc 0.4271454E+01 Qxc -0.3048284E+01 3,+1 115 3 -1 0.358875 0.377371 -0.381667 Rho 0.2041716E+00 |GRAD(Rho)| 0.1814328E-15 GRAD(Rho)x 0.1415376E-15 GRAD(Rho)y 0.1471956E-16 GRAD(Rho)z -0.1125535E-15 Laplacian 0.7440963E+00 (-1/4)Del**2(Rho)) -0.1860241E+00 Diamond 0.2426877E+01 Metallicity 0.6556058E+01 Ellipticity 0.3635792E-02 Gb(Abramov) 0.3272802E+00 Vb(Abramov) -0.4685362E+00 Hb(Abramov) -0.1412561E+00 Ex_ueg -0.8879300E-01 Ec_ueg -0.1199766E-01 Delta_ex -0.8793781E-01 Delta_ec 0.2028498E-01 Delta_et -0.2894945E+00 Pxc 0.7400858E+01 Qxc -0.4335119E+01 3,-1 116 3 -1 -0.550141 2.758947 -1.797034 Rho 0.1310254E+00 |GRAD(Rho)| 0.3321737E-15 GRAD(Rho)x 0.3204088E-15 GRAD(Rho)y -0.4660375E-16 GRAD(Rho)z -0.7420009E-16 Laplacian 0.5480099E+00 (-1/4)Del**2(Rho)) -0.1370025E+00 Diamond 0.9528639E+00 Metallicity 0.4250274E+01 Ellipticity 0.1501517E-01 Gb(Abramov) 0.1883847E+00 Vb(Abramov) -0.2397669E+00 Hb(Abramov) -0.5138220E-01 Ex_ueg -0.4915023E-01 Ec_ueg -0.7240167E-02 Delta_ex -0.5704952E-01 Delta_ec 0.1455890E-01 Delta_et -0.1902630E+00 Pxc 0.6788548E+01 Qxc -0.3918534E+01 3,-1 117 3 +1 2.000055 1.980076 -2.008013 Rho 0.1247271E-01 |GRAD(Rho)| 0.8694815E-12 GRAD(Rho)x 0.2540667E-12 GRAD(Rho)y -0.7949488E-12 GRAD(Rho)z -0.2439354E-12 Laplacian 0.5891428E-01 (-1/4)Del**2(Rho)) -0.1472857E-01 Diamond 0.2054702E-02 Metallicity 0.7846220E+00 Ellipticity -0.1157801E+01 Gb(Abramov) 0.1174511E-01 Vb(Abramov) -0.8761644E-02 Hb(Abramov) 0.2983464E-02 Ex_ueg -0.2136319E-02 Ec_ueg -0.4814346E-03 Delta_ex -0.2806350E-02 Delta_ec 0.5517858E-03 Delta_et -0.4336864E-02 Pxc 0.4437402E+01 Qxc -0.5085940E+01 3,+1 118 3 +1 1.228573 2.118378 -1.149284 Rho 0.2597299E-01 |GRAD(Rho)| 0.2272349E-16 GRAD(Rho)x 0.1116221E-16 GRAD(Rho)y -0.1090031E-16 GRAD(Rho)z 0.1652105E-16 Laplacian 0.1047588E+00 (-1/4)Del**2(Rho)) -0.2618971E-01 Diamond 0.1556401E-01 Metallicity 0.1498393E+01 Ellipticity -0.5959076E+01 Gb(Abramov) 0.2400022E-01 Vb(Abramov) -0.2181073E-01 Hb(Abramov) 0.2189492E-02 Ex_ueg -0.5680862E-02 Ec_ueg -0.1137826E-02 Delta_ex -0.6698227E-02 Delta_ec 0.1984658E-02 Delta_et -0.1764050E-01 Pxc 0.4992732E+01 Qxc -0.3375004E+01 3,+1 119 3 +1 0.526856 1.697383 0.527836 Rho 0.8752314E-02 |GRAD(Rho)| 0.3042748E-17 GRAD(Rho)x 0.2972667E-17 GRAD(Rho)y 0.3577843E-18 GRAD(Rho)z -0.5418062E-18 Laplacian 0.3634144E-01 (-1/4)Del**2(Rho)) -0.9085359E-02 Diamond 0.1053855E-02 Metallicity 0.7048270E+00 Ellipticity -0.1445635E+01 Gb(Abramov) 0.7124174E-02 Vb(Abramov) -0.5162989E-02 Hb(Abramov) 0.1961185E-02 Ex_ueg -0.1332137E-02 Ec_ueg -0.3118002E-03 Delta_ex -0.1693042E-02 Delta_ec 0.5567733E-03 Delta_et -0.3786054E-02 Pxc 0.4272406E+01 Qxc -0.3040810E+01 3,+1 120 3 +1 1.755345 1.755856 1.754731 Rho 0.1240853E-01 |GRAD(Rho)| 0.7970977E-16 GRAD(Rho)x 0.6822683E-16 GRAD(Rho)y -0.2994484E-16 GRAD(Rho)z -0.2832056E-16 Laplacian 0.6277830E-01 (-1/4)Del**2(Rho)) -0.1569457E-01 Diamond 0.2623368E-02 Metallicity 0.7300244E+00 Ellipticity -0.1242153E+01 Gb(Abramov) 0.1237262E-01 Vb(Abramov) -0.9050666E-02 Hb(Abramov) 0.3321954E-02 Ex_ueg -0.2121674E-02 Ec_ueg -0.4784608E-03 Delta_ex -0.3110367E-02 Delta_ec 0.8097385E-03 Delta_et -0.6125393E-02 Pxc 0.4434375E+01 Qxc -0.3841199E+01 3,+1 121 3 -1 1.810258 2.779439 0.573313 Rho 0.1425575E+00 |GRAD(Rho)| 0.1629113E-15 GRAD(Rho)x -0.1523440E-15 GRAD(Rho)y -0.5726620E-16 GRAD(Rho)z -0.7209944E-17 Laplacian 0.6021087E+00 (-1/4)Del**2(Rho)) -0.1505272E+00 Diamond 0.1151135E+01 Metallicity 0.4452341E+01 Ellipticity 0.8405769E-02 Gb(Abramov) 0.2120512E+00 Vb(Abramov) -0.2735751E+00 Hb(Abramov) -0.6152398E-01 Ex_ueg -0.5500116E-01 Ec_ueg -0.7968802E-02 Delta_ex -0.6389498E-01 Delta_ec 0.1553286E-01 Delta_et -0.2054042E+00 Pxc 0.6902061E+01 Qxc -0.4113536E+01 3,-1 122 3 -1 1.700155 0.489214 -1.702246 Rho 0.3574160E-01 |GRAD(Rho)| 0.7708879E-14 GRAD(Rho)x 0.5165069E-14 GRAD(Rho)y -0.2533247E-14 GRAD(Rho)z -0.5131426E-14 Laplacian 0.1487531E+00 (-1/4)Del**2(Rho)) -0.3718827E-01 Diamond 0.4891677E-01 Metallicity 0.1796541E+01 Ellipticity 0.1143631E-01 Gb(Abramov) 0.3592722E-01 Vb(Abramov) -0.3466617E-01 Hb(Abramov) 0.1261050E-02 Ex_ueg -0.8695281E-02 Ec_ueg -0.1643394E-02 Delta_ex -0.1134059E-01 Delta_ec 0.4579947E-02 Delta_et -0.4415292E-01 Pxc 0.5291052E+01 Qxc -0.2476141E+01 3,-1 123 3 -1 1.988051 0.826763 -2.981641 Rho 0.1254329E+00 |GRAD(Rho)| 0.4494469E-14 GRAD(Rho)x 0.2282490E-14 GRAD(Rho)y -0.3742747E-14 GRAD(Rho)z 0.9911302E-15 Laplacian 0.4968383E+00 (-1/4)Del**2(Rho)) -0.1242096E+00 Diamond 0.8071321E+00 Metallicity 0.4359302E+01 Ellipticity 0.3326561E-01 Gb(Abramov) 0.1730509E+00 Vb(Abramov) -0.2218922E+00 Hb(Abramov) -0.4884133E-01 Ex_ueg -0.4637318E-01 Ec_ueg -0.6889951E-02 Delta_ex -0.5102410E-01 Delta_ec 0.1305102E-01 Delta_et -0.1688218E+00 Pxc 0.6730552E+01 Qxc -0.3909587E+01 3,-1 124 3 -1 1.805176 0.587184 2.787188 Rho 0.1429229E+00 |GRAD(Rho)| 0.5465260E-13 GRAD(Rho)x -0.4596085E-13 GRAD(Rho)y 0.4365947E-14 GRAD(Rho)z -0.2924799E-13 Laplacian 0.6051860E+00 (-1/4)Del**2(Rho)) -0.1512965E+00 Diamond 0.1162225E+01 Metallicity 0.4448639E+01 Ellipticity 0.7588919E-02 Gb(Abramov) 0.2130416E+00 Vb(Abramov) -0.2747866E+00 Hb(Abramov) -0.6174508E-01 Ex_ueg -0.5518919E-01 Ec_ueg -0.7992026E-02 Delta_ex -0.6427912E-01 Delta_ec 0.1563366E-01 Delta_et -0.2068825E+00 Pxc 0.6905532E+01 Qxc -0.4111584E+01 3,-1 125 3 +1 2.107279 1.048974 -1.326696 Rho 0.2466829E-01 |GRAD(Rho)| 0.7508409E-16 GRAD(Rho)x -0.7414324E-16 GRAD(Rho)y -0.9194902E-17 GRAD(Rho)z -0.7473613E-17 Laplacian 0.9879288E-01 (-1/4)Del**2(Rho)) -0.2469822E-01 Diamond 0.1327111E-01 Metallicity 0.1458095E+01 Ellipticity -0.4208446E+01 Gb(Abramov) 0.2246754E-01 Vb(Abramov) -0.2023686E-01 Hb(Abramov) 0.2230680E-02 Ex_ueg -0.5303596E-02 Ec_ueg -0.1072028E-02 Delta_ex -0.6187241E-02 Delta_ec 0.1792013E-02 Delta_et -0.1573889E-01 Pxc 0.4947257E+01 Qxc -0.3452677E+01 3,+1 126 3 +1 2.903524 0.084924 -0.104762 Rho 0.4842366E-02 |GRAD(Rho)| 0.2804360E-17 GRAD(Rho)x 0.9122671E-18 GRAD(Rho)y 0.5363142E-18 GRAD(Rho)z 0.2597031E-17 Laplacian 0.1994446E-01 (-1/4)Del**2(Rho)) -0.4986116E-02 Diamond 0.4715293E-03 Metallicity 0.4788728E+00 Ellipticity -0.4158952E+01 Gb(Abramov) 0.3722030E-02 Vb(Abramov) -0.2457944E-02 Hb(Abramov) 0.1264086E-02 Ex_ueg -0.6050555E-03 Ec_ueg -0.1401355E-03 Delta_ex -0.1010744E-02 Delta_ec 0.6730644E-03 Delta_et -0.3602030E-02 Pxc 0.4317647E+01 Qxc -0.1501705E+01 3,+1 127 3 -1 3.203036 3.190323 0.058564 Rho 0.2561657E+00 |GRAD(Rho)| 0.1716174E-12 GRAD(Rho)x -0.1145584E-12 GRAD(Rho)y -0.1227561E-12 GRAD(Rho)z -0.3549412E-13 Laplacian 0.9200858E+00 (-1/4)Del**2(Rho)) -0.2300214E+00 Diamond 0.3514409E+01 Metallicity 0.7738433E+01 Ellipticity 0.9713936E-03 Gb(Abramov) 0.4500152E+00 Vb(Abramov) -0.6700090E+00 Hb(Abramov) -0.2199938E+00 Ex_ueg -0.1201562E+00 Ec_ueg -0.1556375E-01 Delta_ex -0.1130549E+00 Delta_ec 0.1988355E-01 Delta_et -0.2756481E+00 Pxc 0.7720261E+01 Qxc -0.5685853E+01 3,-1 128 3 -1 1.687599 1.691719 -0.495503 Rho 0.4017289E-01 |GRAD(Rho)| 0.2615541E-12 GRAD(Rho)x -0.7954911E-13 GRAD(Rho)y 0.2476960E-12 GRAD(Rho)z -0.2700346E-13 Laplacian 0.1597765E+00 (-1/4)Del**2(Rho)) -0.3994414E-01 Diamond 0.5930423E-01 Metallicity 0.2032303E+01 Ellipticity 0.1014676E-01 Gb(Abramov) 0.4015919E-01 Vb(Abramov) -0.4037425E-01 Hb(Abramov) -0.2150543E-03 Ex_ueg -0.1016161E-01 Ec_ueg -0.1879341E-02 Delta_ex -0.1240311E-01 Delta_ec 0.4680701E-02 Delta_et -0.4656191E-01 Pxc 0.5407005E+01 Qxc -0.2649839E+01 3,-1 129 3 -1 -1.686407 -1.675612 -0.499020 Rho 0.4012185E-01 |GRAD(Rho)| 0.7776994E-16 GRAD(Rho)x -0.5822060E-16 GRAD(Rho)y -0.4572729E-16 GRAD(Rho)z 0.2382312E-16 Laplacian 0.1593099E+00 (-1/4)Del**2(Rho)) -0.3982748E-01 Diamond 0.5899640E-01 Metallicity 0.2033942E+01 Ellipticity 0.1161318E-01 Gb(Abramov) 0.4005278E-01 Vb(Abramov) -0.4027809E-01 Hb(Abramov) -0.2253041E-03 Ex_ueg -0.1014440E-01 Ec_ueg -0.1876603E-02 Delta_ex -0.1236110E-01 Delta_ec 0.4663718E-02 Delta_et -0.4637675E-01 Pxc 0.5405725E+01 Qxc -0.2650481E+01 3,-1 130 3 -1 -1.984521 -2.950941 -0.844734 Rho 0.1413085E+00 |GRAD(Rho)| 0.2950454E-12 GRAD(Rho)x -0.1782305E-12 GRAD(Rho)y 0.1024272E-12 GRAD(Rho)z 0.2116468E-12 Laplacian 0.5636013E+00 (-1/4)Del**2(Rho)) -0.1409003E+00 Diamond 0.1069055E+01 Metallicity 0.4687286E+01 Ellipticity 0.2521529E-01 Gb(Abramov) 0.2040069E+00 Vb(Abramov) -0.2671135E+00 Hb(Abramov) -0.6310659E-01 Ex_ueg -0.5435957E-01 Ec_ueg -0.7889474E-02 Delta_ex -0.5971141E-01 Delta_ec 0.1462601E-01 Delta_et -0.1932744E+00 Pxc 0.6890139E+01 Qxc -0.4082550E+01 3,-1 131 3 -1 -1.817315 -2.758757 0.573013 Rho 0.1419611E+00 |GRAD(Rho)| 0.6130900E-13 GRAD(Rho)x -0.4721694E-13 GRAD(Rho)y 0.7016631E-14 GRAD(Rho)z -0.3847234E-13 Laplacian 0.6004854E+00 (-1/4)Del**2(Rho)) -0.1501213E+00 Diamond 0.1143539E+01 Metallicity 0.4433293E+01 Ellipticity 0.9592067E-02 Gb(Abramov) 0.2110029E+00 Vb(Abramov) -0.2718844E+00 Hb(Abramov) -0.6088153E-01 Ex_ueg -0.5469458E-01 Ec_ueg -0.7930912E-02 Delta_ex -0.6367126E-01 Delta_ec 0.1553124E-01 Delta_et -0.2053063E+00 Pxc 0.6896379E+01 Qxc -0.4099561E+01 3,-1 132 3 +1 -1.994557 -1.979962 -2.016805 Rho 0.1243964E-01 |GRAD(Rho)| 0.1948190E-15 GRAD(Rho)x 0.4744945E-16 GRAD(Rho)y -0.5785419E-16 GRAD(Rho)z 0.1798775E-15 Laplacian 0.5867645E-01 (-1/4)Del**2(Rho)) -0.1466911E-01 Diamond 0.2042407E-02 Metallicity 0.7843239E+00 Ellipticity -0.1155847E+01 Gb(Abramov) 0.1169696E-01 Vb(Abramov) -0.8724816E-02 Hb(Abramov) 0.2972148E-02 Ex_ueg -0.2128770E-02 Ec_ueg -0.4799020E-03 Delta_ex -0.2793935E-02 Delta_ec 0.5512728E-03 Delta_et -0.4328584E-02 Pxc 0.4435842E+01 Qxc -0.5068154E+01 3,+1 133 3 -1 -1.804319 0.558417 -2.809486 Rho 0.1370624E+00 |GRAD(Rho)| 0.2871921E-13 GRAD(Rho)x -0.2183780E-13 GRAD(Rho)y -0.1845019E-13 GRAD(Rho)z 0.2737475E-14 Laplacian 0.5802330E+00 (-1/4)Del**2(Rho)) -0.1450582E+00 Diamond 0.1042216E+01 Metallicity 0.4327211E+01 Ellipticity 0.1684997E-01 Gb(Abramov) 0.2013218E+00 Vb(Abramov) -0.2575853E+00 Hb(Abramov) -0.5626351E-01 Ex_ueg -0.5219267E-01 Ec_ueg -0.7620538E-02 Delta_ex -0.6080854E-01 Delta_ec 0.1479268E-01 Delta_et -0.1938098E+00 Pxc 0.6848948E+01 Qxc -0.4110717E+01 3,-1 134 3 +1 -1.328180 1.053823 2.084404 Rho 0.2333374E-01 |GRAD(Rho)| 0.3828440E-16 GRAD(Rho)x 0.7396781E-17 GRAD(Rho)y -0.1265080E-16 GRAD(Rho)z -0.3536863E-16 Laplacian 0.9181911E-01 (-1/4)Del**2(Rho)) -0.2295478E-01 Diamond 0.1140919E-01 Metallicity 0.1429949E+01 Ellipticity -0.4047553E+01 Gb(Abramov) 0.2077388E-01 Vb(Abramov) -0.1859298E-01 Hb(Abramov) 0.2180899E-02 Ex_ueg -0.4924522E-02 Ec_ueg -0.1005192E-02 Delta_ex -0.5664723E-02 Delta_ec 0.1661798E-02 Delta_et -0.1439338E-01 Pxc 0.4899087E+01 Qxc -0.3408791E+01 3,+1 135 3 -1 -1.975565 0.828951 2.984331 Rho 0.1335873E+00 |GRAD(Rho)| 0.1010971E-15 GRAD(Rho)x 0.9477960E-16 GRAD(Rho)y 0.2455718E-16 GRAD(Rho)z 0.2518737E-16 Laplacian 0.5305218E+00 (-1/4)Del**2(Rho)) -0.1326305E+00 Diamond 0.9273536E+00 Metallicity 0.4534387E+01 Ellipticity 0.3974090E-01 Gb(Abramov) 0.1886533E+00 Vb(Abramov) -0.2446761E+00 Hb(Abramov) -0.5602282E-01 Ex_ueg -0.5043577E-01 Ec_ueg -0.7401296E-02 Delta_ex -0.5529178E-01 Delta_ec 0.1368029E-01 Delta_et -0.1786748E+00 Pxc 0.6814451E+01 Qxc -0.4041712E+01 3,-1 136 3 -1 -0.563341 1.808806 -2.784506 Rho 0.1405617E+00 |GRAD(Rho)| 0.3113655E-15 GRAD(Rho)x 0.2328324E-16 GRAD(Rho)y -0.2868528E-15 GRAD(Rho)z -0.1188353E-15 Laplacian 0.5928896E+00 (-1/4)Del**2(Rho)) -0.1482224E+00 Diamond 0.1117021E+01 Metallicity 0.4416560E+01 Ellipticity 0.1206415E-01 Gb(Abramov) 0.2079205E+00 Vb(Abramov) -0.2676185E+00 Hb(Abramov) -0.5969805E-01 Ex_ueg -0.5397685E-01 Ec_ueg -0.7842089E-02 Delta_ex -0.6272853E-01 Delta_ec 0.1539712E-01 Delta_et -0.2032829E+00 Pxc 0.6882969E+01 Qxc -0.4074042E+01 3,-1 137 3 -1 -0.503204 1.708168 1.664960 Rho 0.3717796E-01 |GRAD(Rho)| 0.7574796E-16 GRAD(Rho)x -0.2918092E-16 GRAD(Rho)y -0.4482435E-16 GRAD(Rho)z 0.5363773E-16 Laplacian 0.1453590E+00 (-1/4)Del**2(Rho)) -0.3633974E-01 Diamond 0.4815379E-01 Metallicity 0.1963273E+01 Ellipticity 0.1129767E-01 Gb(Abramov) 0.3611730E-01 Vb(Abramov) -0.3589485E-01 Hb(Abramov) 0.2224428E-03 Ex_ueg -0.9164297E-02 Ec_ueg -0.1719462E-02 Delta_ex -0.1104335E-01 Delta_ec 0.4214392E-02 Delta_et -0.4105355E-01 Pxc 0.5329748E+01 Qxc -0.2620391E+01 3,-1 138 3 -1 0.861106 2.970215 -1.983247 Rho 0.1462280E+00 |GRAD(Rho)| 0.2807388E-15 GRAD(Rho)x 0.1901420E-15 GRAD(Rho)y 0.2004690E-15 GRAD(Rho)z -0.4972422E-16 Laplacian 0.5837660E+00 (-1/4)Del**2(Rho)) -0.1459415E+00 Diamond 0.1152499E+01 Metallicity 0.4790990E+01 Ellipticity 0.3162603E-01 Gb(Abramov) 0.2138284E+00 Vb(Abramov) -0.2817152E+00 Hb(Abramov) -0.6788687E-01 Ex_ueg -0.5689740E-01 Ec_ueg -0.8202490E-02 Delta_ex -0.6235332E-01 Delta_ec 0.1499967E-01 Delta_et -0.1991681E+00 Pxc 0.6936601E+01 Qxc -0.4156978E+01 3,-1 139 3 +3 1.853144 1.827117 -1.859091 Rho 0.1224320E-01 |GRAD(Rho)| 0.3806942E-11 GRAD(Rho)x 0.1365428E-11 GRAD(Rho)y -0.3288967E-11 GRAD(Rho)z -0.1345776E-11 Laplacian 0.5610037E-01 (-1/4)Del**2(Rho)) -0.1402509E-01 Diamond 0.1264243E-02 Metallicity 0.7988636E+00 Ellipticity -0.6994348E+00 Gb(Abramov) 0.1121742E-01 Vb(Abramov) -0.8409742E-02 Hb(Abramov) 0.2807675E-02 Ex_ueg -0.2084068E-02 Ec_ueg -0.4708078E-03 Delta_ex -0.2477813E-02 Delta_ec 0.2025354E-03 Delta_et -0.1925720E-02 Pxc 0.4426579E+01 Qxc -0.1223397E+02 3,+3 140 3 -1 0.855811 1.971918 -2.989856 Rho 0.1537945E+00 |GRAD(Rho)| 0.1515294E-15 GRAD(Rho)x 0.6738317E-16 GRAD(Rho)y -0.1035955E-15 GRAD(Rho)z 0.8768485E-16 Laplacian 0.6084042E+00 (-1/4)Del**2(Rho)) -0.1521010E+00 Diamond 0.1276374E+01 Metallicity 0.5000218E+01 Ellipticity 0.3977989E-01 Gb(Abramov) 0.2281571E+00 Vb(Abramov) -0.3042131E+00 Hb(Abramov) -0.7605604E-01 Ex_ueg -0.6085637E-01 Ec_ueg -0.8686857E-02 Delta_ex -0.6579675E-01 Delta_ec 0.1544207E-01 Delta_et -0.2065113E+00 Pxc 0.7005569E+01 Qxc -0.4260875E+01 3,-1 141 3 +1 1.345046 1.026801 -2.120691 Rho 0.2436336E-01 |GRAD(Rho)| 0.3621068E-14 GRAD(Rho)x 0.2790905E-14 GRAD(Rho)y -0.2200661E-14 GRAD(Rho)z -0.6928752E-15 Laplacian 0.9631653E-01 (-1/4)Del**2(Rho)) -0.2407913E-01 Diamond 0.1197555E-01 Metallicity 0.1464899E+01 Ellipticity -0.3149031E+01 Gb(Abramov) 0.2193167E-01 Vb(Abramov) -0.1978421E-01 Hb(Abramov) 0.2147461E-02 Ex_ueg -0.5216366E-02 Ec_ueg -0.1056714E-02 Delta_ex -0.5928796E-02 Delta_ec 0.1597862E-02 Delta_et -0.1402487E-01 Pxc 0.4936402E+01 Qxc -0.3710455E+01 3,+1 142 3 -1 1.819016 -0.581563 -2.784281 Rho 0.1302603E+00 |GRAD(Rho)| 0.7518419E-12 GRAD(Rho)x 0.5501092E-12 GRAD(Rho)y 0.4977902E-12 GRAD(Rho)z 0.1218646E-12 Laplacian 0.5480031E+00 (-1/4)Del**2(Rho)) -0.1370008E+00 Diamond 0.9272931E+00 Metallicity 0.4209044E+01 Ellipticity 0.7767839E-02 Gb(Abramov) 0.1874409E+00 Vb(Abramov) -0.2378810E+00 Hb(Abramov) -0.5044012E-01 Ex_ueg -0.4876793E-01 Ec_ueg -0.7192133E-02 Delta_ex -0.5674153E-01 Delta_ec 0.1417377E-01 Delta_et -0.1843041E+00 Pxc 0.6780733E+01 Qxc -0.4003278E+01 3,-1 143 3 +1 1.686623 -0.542102 -0.549824 Rho 0.8243522E-02 |GRAD(Rho)| 0.8393006E-15 GRAD(Rho)x -0.3512660E-15 GRAD(Rho)y 0.7298290E-15 GRAD(Rho)z -0.2199713E-15 Laplacian 0.3389001E-01 (-1/4)Del**2(Rho)) -0.8472504E-02 Diamond 0.9282183E-03 Metallicity 0.6840105E+00 Ellipticity -0.1459610E+01 Gb(Abramov) 0.6614216E-02 Vb(Abramov) -0.4755928E-02 Hb(Abramov) 0.1858288E-02 Ex_ueg -0.1229897E-02 Ec_ueg -0.2890587E-03 Delta_ex -0.1566134E-02 Delta_ec 0.5382664E-03 Delta_et -0.3588644E-02 Pxc 0.4254836E+01 Qxc -0.2909589E+01 3,+1 144 3 -1 1.966404 -0.835076 2.971096 Rho 0.1436970E+00 |GRAD(Rho)| 0.2615129E-15 GRAD(Rho)x 0.8307699E-16 GRAD(Rho)y -0.2249448E-15 GRAD(Rho)z 0.1043409E-15 Laplacian 0.5739017E+00 (-1/4)Del**2(Rho)) -0.1434754E+00 Diamond 0.1109165E+01 Metallicity 0.4733568E+01 Ellipticity 0.2892088E-01 Gb(Abramov) 0.2088421E+00 Vb(Abramov) -0.2742087E+00 Hb(Abramov) -0.6536663E-01 Ex_ueg -0.5558813E-01 Ec_ueg -0.8041262E-02 Delta_ex -0.6103507E-01 Delta_ec 0.1480300E-01 Delta_et -0.1960409E+00 Pxc 0.6912862E+01 Qxc -0.4123154E+01 3,-1 145 3 -1 2.790475 -0.589108 -1.823500 Rho 0.1343421E+00 |GRAD(Rho)| 0.2475330E-15 GRAD(Rho)x -0.1376598E-16 GRAD(Rho)y -0.9595189E-16 GRAD(Rho)z 0.2277638E-15 Laplacian 0.5680953E+00 (-1/4)Del**2(Rho)) -0.1420238E+00 Diamond 0.9980917E+00 Metallicity 0.4274439E+01 Ellipticity 0.1152127E-01 Gb(Abramov) 0.1958612E+00 Vb(Abramov) -0.2496987E+00 Hb(Abramov) -0.5383742E-01 Ex_ueg -0.5081611E-01 Ec_ueg -0.7448852E-02 Delta_ex -0.5926932E-01 Delta_ec 0.1459448E-01 Delta_et -0.1907125E+00 Pxc 0.6822006E+01 Qxc -0.4061079E+01 3,-1 146 3 -1 3.218439 -3.201325 -0.044325 Rho 0.2570675E+00 |GRAD(Rho)| 0.1715376E-11 GRAD(Rho)x -0.1197657E-11 GRAD(Rho)y 0.1193681E-11 GRAD(Rho)z 0.2885476E-12 Laplacian 0.9151819E+00 (-1/4)Del**2(Rho)) -0.2287955E+00 Diamond 0.3517813E+01 Metallicity 0.7825603E+01 Ellipticity 0.1159070E-02 Gb(Abramov) 0.4509407E+00 Vb(Abramov) -0.6730860E+00 Hb(Abramov) -0.2221453E+00 Ex_ueg -0.1207206E+00 Ec_ueg -0.1562691E-01 Delta_ex -0.1125919E+00 Delta_ec 0.1981962E-01 Delta_et -0.2750814E+00 Pxc 0.7725171E+01 Qxc -0.5680834E+01 3,-1 147 3 +3 -1.830269 1.814732 1.859097 Rho 0.1248647E-01 |GRAD(Rho)| 0.2105402E-15 GRAD(Rho)x 0.1202476E-15 GRAD(Rho)y -0.9964983E-16 GRAD(Rho)z -0.1412005E-15 Laplacian 0.5850853E-01 (-1/4)Del**2(Rho)) -0.1462713E-01 Diamond 0.1372994E-02 Metallicity 0.7915169E+00 Ellipticity -0.6751936E+00 Gb(Abramov) 0.1168103E-01 Vb(Abramov) -0.8734919E-02 Hb(Abramov) 0.2946107E-02 Ex_ueg -0.2139463E-02 Ec_ueg -0.4820726E-03 Delta_ex -0.2604065E-02 Delta_ec 0.2198178E-03 Delta_et -0.2070037E-02 Pxc 0.4438051E+01 Qxc -0.1184647E+02 3,+3 148 3 +1 -1.001808 2.104740 1.346865 Rho 0.2681475E-01 |GRAD(Rho)| 0.3667043E-15 GRAD(Rho)x -0.2675333E-15 GRAD(Rho)y -0.1765066E-16 GRAD(Rho)z 0.2501728E-15 Laplacian 0.1055764E+00 (-1/4)Del**2(Rho)) -0.2639409E-01 Diamond 0.1390127E-01 Metallicity 0.1567964E+01 Ellipticity -0.2717835E+01 Gb(Abramov) 0.2449356E-01 Vb(Abramov) -0.2259302E-01 Hb(Abramov) 0.1900535E-02 Ex_ueg -0.5927661E-02 Ec_ueg -0.1180511E-02 Delta_ex -0.6561454E-02 Delta_ec 0.1560936E-02 Delta_et -0.1405713E-01 Pxc 0.5021267E+01 Qxc -0.4203537E+01 3,+1 149 3 +1 -1.988211 1.980550 2.009501 Rho 0.1276257E-01 |GRAD(Rho)| 0.4916454E-17 GRAD(Rho)x 0.6859908E-18 GRAD(Rho)y -0.1068731E-17 GRAD(Rho)z 0.4749605E-17 Laplacian 0.6167604E-01 (-1/4)Del**2(Rho)) -0.1541901E-01 Diamond 0.2263243E-02 Metallicity 0.7787424E+00 Ellipticity -0.1163050E+01 Gb(Abramov) 0.1228058E-01 Vb(Abramov) -0.9142149E-02 Hb(Abramov) 0.3138431E-02 Ex_ueg -0.2202771E-02 Ec_ueg -0.4948856E-03 Delta_ex -0.2968013E-02 Delta_ec 0.5980387E-03 Delta_et -0.4702507E-02 Pxc 0.4451072E+01 Qxc -0.4962911E+01 3,+1 150 3 -1 -1.777122 2.729862 -0.560676 Rho 0.1552110E+00 |GRAD(Rho)| 0.2177537E-14 GRAD(Rho)x -0.1714828E-14 GRAD(Rho)y -0.3130566E-15 GRAD(Rho)z 0.1305000E-14 Laplacian 0.6522582E+00 (-1/4)Del**2(Rho)) -0.1630646E+00 Diamond 0.1369250E+01 Metallicity 0.4735848E+01 Ellipticity 0.1814003E-01 Gb(Abramov) 0.2374179E+00 Vb(Abramov) -0.3117712E+00 Hb(Abramov) -0.7435330E-01 Ex_ueg -0.6160487E-01 Ec_ueg -0.8777923E-02 Delta_ex -0.7056309E-01 Delta_ec 0.1627466E-01 Delta_et -0.2173323E+00 Pxc 0.7018160E+01 Qxc -0.4335765E+01 3,-1 151 3 -1 0.501882 1.687980 -1.696402 Rho 0.4225873E-01 |GRAD(Rho)| 0.2507883E-15 GRAD(Rho)x 0.4244535E-16 GRAD(Rho)y -0.8121267E-16 GRAD(Rho)z 0.2334474E-15 Laplacian 0.1694064E+00 (-1/4)Del**2(Rho)) -0.4235161E-01 Diamond 0.6763413E-01 Metallicity 0.2085502E+01 Ellipticity 0.1054646E-01 Gb(Abramov) 0.4295514E-01 Vb(Abramov) -0.4355866E-01 Hb(Abramov) -0.6035267E-03 Ex_ueg -0.1087110E-01 Ec_ueg -0.1991660E-02 Delta_ex -0.1333239E-01 Delta_ec 0.4987536E-02 Delta_et -0.5029423E-01 Pxc 0.5458314E+01 Qxc -0.2673142E+01 3,-1 152 3 -1 0.839091 -2.974603 1.969999 Rho 0.1453861E+00 |GRAD(Rho)| 0.5047919E-15 GRAD(Rho)x 0.1536314E-15 GRAD(Rho)y -0.1398214E-15 GRAD(Rho)z -0.4600676E-15 Laplacian 0.5833285E+00 (-1/4)Del**2(Rho)) -0.1458321E+00 Diamond 0.1143516E+01 Metallicity 0.4748665E+01 Ellipticity 0.2875132E-01 Gb(Abramov) 0.2126394E+00 Vb(Abramov) -0.2794467E+00 Hb(Abramov) -0.6680727E-01 Ex_ueg -0.5646105E-01 Ec_ueg -0.8148816E-02 Delta_ex -0.6221700E-01 Delta_ec 0.1500674E-01 Delta_et -0.1990881E+00 Pxc 0.6928743E+01 Qxc -0.4145938E+01 3,-1 153 3 -1 0.595821 -2.797163 -1.799620 Rho 0.1501527E+00 |GRAD(Rho)| 0.3306977E-15 GRAD(Rho)x -0.2725413E-15 GRAD(Rho)y 0.1173784E-15 GRAD(Rho)z -0.1459607E-15 Laplacian 0.6360903E+00 (-1/4)Del**2(Rho)) -0.1590226E+00 Diamond 0.1293982E+01 Metallicity 0.4595328E+01 Ellipticity 0.1026724E-01 Gb(Abramov) 0.2278085E+00 Vb(Abramov) -0.2965945E+00 Hb(Abramov) -0.6878595E-01 Ex_ueg -0.5894262E-01 Ec_ueg -0.8453293E-02 Delta_ex -0.6836071E-01 Delta_ec 0.1619482E-01 Delta_et -0.2157537E+00 Pxc 0.6972741E+01 Qxc -0.4221147E+01 3,-1 154 3 -1 -1.686850 1.672300 0.460656 Rho 0.5289071E-01 |GRAD(Rho)| 0.2818805E-15 GRAD(Rho)x -0.2099515E-15 GRAD(Rho)y 0.1754137E-15 GRAD(Rho)z -0.6787487E-16 Laplacian 0.2132546E+00 (-1/4)Del**2(Rho)) -0.5331366E-01 Diamond 0.1138011E+00 Metallicity 0.2408133E+01 Ellipticity 0.9573253E-02 Gb(Abramov) 0.5694017E-01 Vb(Abramov) -0.6056667E-01 Hb(Abramov) -0.3626508E-02 Ex_ueg -0.1466305E-01 Ec_ueg -0.2575274E-02 Delta_ex -0.1768875E-01 Delta_ec 0.6145308E-02 Delta_et -0.6568579E-01 Pxc 0.5693782E+01 Qxc -0.2878416E+01 3,-1 155 3 -1 -1.959659 2.926137 0.827721 Rho 0.1489811E+00 |GRAD(Rho)| 0.9540241E-12 GRAD(Rho)x 0.4673646E-12 GRAD(Rho)y 0.4581703E-12 GRAD(Rho)z 0.6941270E-12 Laplacian 0.5929100E+00 (-1/4)Del**2(Rho)) -0.1482275E+00 Diamond 0.1187036E+01 Metallicity 0.4866046E+01 Ellipticity 0.1739825E-01 Gb(Abramov) 0.2190320E+00 Vb(Abramov) -0.2898365E+00 Hb(Abramov) -0.7080448E-01 Ex_ueg -0.5833016E-01 Ec_ueg -0.8378320E-02 Delta_ex -0.6351915E-01 Delta_ec 0.1498460E-01 Delta_et -0.1990921E+00 Pxc 0.6962036E+01 Qxc -0.4238961E+01 3,-1 156 3 -1 -0.832675 1.982605 2.972418 Rho 0.1445760E+00 |GRAD(Rho)| 0.4637887E-15 GRAD(Rho)x 0.1720493E-15 GRAD(Rho)y 0.2267473E-15 GRAD(Rho)z -0.3661757E-15 Laplacian 0.5759202E+00 (-1/4)Del**2(Rho)) -0.1439800E+00 Diamond 0.1121500E+01 Metallicity 0.4765166E+01 Ellipticity 0.2887573E-01 Gb(Abramov) 0.2103348E+00 Vb(Abramov) -0.2766896E+00 Hb(Abramov) -0.6635478E-01 Ex_ueg -0.5604197E-01 Ec_ueg -0.8097210E-02 Delta_ex -0.6134364E-01 Delta_ec 0.1483758E-01 Delta_et -0.1966855E+00 Pxc 0.6921146E+01 Qxc -0.4134343E+01 3,-1 157 3 -1 -0.046896 3.196861 -3.191303 Rho 0.2560448E+00 |GRAD(Rho)| 0.7350636E-13 GRAD(Rho)x 0.1425943E-13 GRAD(Rho)y -0.5182963E-13 GRAD(Rho)z 0.5013524E-13 Laplacian 0.9245114E+00 (-1/4)Del**2(Rho)) -0.2311279E+00 Diamond 0.3526086E+01 Metallicity 0.7695334E+01 Ellipticity 0.9998758E-03 Gb(Abramov) 0.4505196E+00 Vb(Abramov) -0.6699113E+00 Hb(Abramov) -0.2193917E+00 Ex_ueg -0.1200806E+00 Ec_ueg -0.1555529E-01 Delta_ex -0.1135689E+00 Delta_ec 0.1995400E-01 Delta_et -0.2764880E+00 Pxc 0.7719602E+01 Qxc -0.5691534E+01 3,-1 158 3 -1 0.579244 2.785300 1.807383 Rho 0.1438451E+00 |GRAD(Rho)| 0.2331009E-15 GRAD(Rho)x -0.2607506E-16 GRAD(Rho)y -0.9086292E-16 GRAD(Rho)z 0.2130728E-15 Laplacian 0.6078751E+00 (-1/4)Del**2(Rho)) -0.1519688E+00 Diamond 0.1172692E+01 Metallicity 0.4476693E+01 Ellipticity 0.9497511E-02 Gb(Abramov) 0.2146988E+00 Vb(Abramov) -0.2774288E+00 Hb(Abramov) -0.6273001E-01 Ex_ueg -0.5566453E-01 Ec_ueg -0.8050685E-02 Delta_ex -0.6462665E-01 Delta_ec 0.1560789E-01 Delta_et -0.2065863E+00 Pxc 0.6914261E+01 Qxc -0.4140639E+01 3,-1 159 3 -1 0.056736 3.214359 3.192118 Rho 0.2570065E+00 |GRAD(Rho)| 0.2429544E-15 GRAD(Rho)x 0.6017322E-16 GRAD(Rho)y -0.2298509E-15 GRAD(Rho)z 0.5074066E-16 Laplacian 0.9190712E+00 (-1/4)Del**2(Rho)) -0.2297678E+00 Diamond 0.3531110E+01 Metallicity 0.7789401E+01 Ellipticity 0.1569693E-02 Gb(Abramov) 0.4514708E+00 Vb(Abramov) -0.6731738E+00 Hb(Abramov) -0.2217030E+00 Ex_ueg -0.1206824E+00 Ec_ueg -0.1562264E-01 Delta_ex -0.1130602E+00 Delta_ec 0.1989972E-01 Delta_et -0.2761654E+00 Pxc 0.7724840E+01 Qxc -0.5681498E+01 3,-1 160 3 +1 -1.197636 -2.106801 -1.171557 Rho 0.2607233E-01 |GRAD(Rho)| 0.1482165E-15 GRAD(Rho)x -0.9149467E-16 GRAD(Rho)y -0.1164879E-15 GRAD(Rho)z -0.5238695E-17 Laplacian 0.1064902E+00 (-1/4)Del**2(Rho)) -0.2662255E-01 Diamond 0.1640316E-01 Metallicity 0.1483440E+01 Ellipticity -0.8153285E+01 Gb(Abramov) 0.2433053E-01 Vb(Abramov) -0.2203850E-01 Hb(Abramov) 0.2292024E-02 Ex_ueg -0.5709852E-02 Ec_ueg -0.1142855E-02 Delta_ex -0.6866988E-02 Delta_ec 0.2108897E-02 Delta_et -0.1874634E-01 Pxc 0.4996132E+01 Qxc -0.3256199E+01 3,+1 161 3 -1 1.984054 2.971892 -0.844892 Rho 0.1425515E+00 |GRAD(Rho)| 0.7999133E-14 GRAD(Rho)x -0.3973181E-14 GRAD(Rho)y -0.6878531E-14 GRAD(Rho)z -0.9411552E-15 Laplacian 0.5695779E+00 (-1/4)Del**2(Rho)) -0.1423945E+00 Diamond 0.1091810E+01 Metallicity 0.4706301E+01 Ellipticity 0.2787984E-01 Gb(Abramov) 0.2066215E+00 Vb(Abramov) -0.2708486E+00 Hb(Abramov) -0.6422705E-01 Ex_ueg -0.5499807E-01 Ec_ueg -0.7968421E-02 Delta_ex -0.6047341E-01 Delta_ec 0.1474946E-01 Delta_et -0.1951620E+00 Pxc 0.6902004E+01 Qxc -0.4100044E+01 3,-1 162 3 -1 2.973862 1.972699 -0.846183 Rho 0.1424103E+00 |GRAD(Rho)| 0.5118901E-15 GRAD(Rho)x -0.9648044E-16 GRAD(Rho)y 0.3118708E-15 GRAD(Rho)z 0.3942837E-15 Laplacian 0.5650369E+00 (-1/4)Del**2(Rho)) -0.1412592E+00 Diamond 0.1082780E+01 Metallicity 0.4736295E+01 Ellipticity 0.2797755E-01 Gb(Abramov) 0.2056804E+00 Vb(Abramov) -0.2701015E+00 Hb(Abramov) -0.6442116E-01 Ex_ueg -0.5492545E-01 Ec_ueg -0.7959449E-02 Delta_ex -0.5998707E-01 Delta_ec 0.1465375E-01 Delta_et -0.1939059E+00 Pxc 0.6900660E+01 Qxc -0.4093633E+01 3,-1 163 3 -1 2.975585 0.826120 -1.989897 Rho 0.1349704E+00 |GRAD(Rho)| 0.1411352E-15 GRAD(Rho)x -0.9099844E-16 GRAD(Rho)y -0.6009191E-16 GRAD(Rho)z -0.8959576E-16 Laplacian 0.5356559E+00 (-1/4)Del**2(Rho)) -0.1339140E+00 Diamond 0.9486023E+00 Metallicity 0.4568689E+01 Ellipticity 0.4352433E-01 Gb(Abramov) 0.1912445E+00 Vb(Abramov) -0.2485751E+00 Hb(Abramov) -0.5733056E-01 Ex_ueg -0.5113322E-01 Ec_ueg -0.7488462E-02 Delta_ex -0.5597370E-01 Delta_ec 0.1379085E-01 Delta_et -0.1804311E+00 Pxc 0.6828268E+01 Qxc -0.4058757E+01 3,-1 164 3 -1 2.777005 0.577209 1.808762 Rho 0.1434366E+00 |GRAD(Rho)| 0.2053392E-15 GRAD(Rho)x -0.9016496E-16 GRAD(Rho)y -0.1569112E-15 GRAD(Rho)z 0.9702254E-16 Laplacian 0.6057923E+00 (-1/4)Del**2(Rho)) -0.1514481E+00 Diamond 0.1167178E+01 Metallicity 0.4470844E+01 Ellipticity 0.7631071E-02 Gb(Abramov) 0.2138155E+00 Vb(Abramov) -0.2761829E+00 Hb(Abramov) -0.6236743E-01 Ex_ueg -0.5545386E-01 Ec_ueg -0.8024696E-02 Delta_ex -0.6438680E-01 Delta_ec 0.1561225E-01 Delta_et -0.2066591E+00 Pxc 0.6910400E+01 Qxc -0.4124119E+01 3,-1 165 3 -1 0.579582 1.819718 2.786553 Rho 0.1458124E+00 |GRAD(Rho)| 0.1999145E-15 GRAD(Rho)x 0.5606680E-16 GRAD(Rho)y 0.1858323E-15 GRAD(Rho)z 0.4784042E-16 Laplacian 0.6156831E+00 (-1/4)Del**2(Rho)) -0.1539208E+00 Diamond 0.1209797E+01 Metallicity 0.4521129E+01 Ellipticity 0.9641642E-02 Gb(Abramov) 0.2185965E+00 Vb(Abramov) -0.2832722E+00 Hb(Abramov) -0.6467569E-01 Ex_ueg -0.5668191E-01 Ec_ueg -0.8175991E-02 Delta_ex -0.6570049E-01 Delta_ec 0.1580191E-01 Delta_et -0.2096701E+00 Pxc 0.6932727E+01 Qxc -0.4157755E+01 3,-1 166 3 -1 -4.155091 3.886178 -0.858971 Rho 0.3270189E+00 |GRAD(Rho)| 0.3836440E-15 GRAD(Rho)x 0.2845738E-15 GRAD(Rho)y -0.1323202E-15 GRAD(Rho)z -0.2206622E-15 Laplacian -0.1821885E+01 (-1/4)Del**2(Rho)) 0.4554713E+00 Diamond 0.6390809E+01 Metallicity -0.5871020E+01 Ellipticity 0.1674139E-02 Gb(Abramov) 0.1420327E+00 Vb(Abramov) -0.7395367E+00 Hb(Abramov) -0.5975040E+00 Ex_ueg -0.1663983E+00 Ec_ueg -0.2066254E-01 Delta_ex 0.1834885E+00 Delta_ec 0.6265641E-01 Delta_et -0.1503990E+01 Pxc 0.8053139E+01 Qxc 0.2928487E+01 3,-1 167 3 -1 -1.965975 -0.867894 -3.023506 Rho 0.1500895E+00 |GRAD(Rho)| 0.8611595E-16 GRAD(Rho)x -0.3651051E-16 GRAD(Rho)y 0.7129985E-16 GRAD(Rho)z -0.3161127E-16 Laplacian 0.5912781E+00 (-1/4)Del**2(Rho)) -0.1478195E+00 Diamond 0.1189881E+01 Metallicity 0.4940130E+01 Ellipticity 0.5743211E-01 Gb(Abramov) 0.2202543E+00 Vb(Abramov) -0.2926891E+00 Hb(Abramov) -0.7243478E-01 Ex_ueg -0.5890950E-01 Ec_ueg -0.8449242E-02 Delta_ex -0.6341541E-01 Delta_ec 0.1483633E-01 Delta_et -0.1971397E+00 Pxc 0.6972164E+01 Qxc -0.4274332E+01 3,-1 168 3 -1 -2.944453 1.946706 0.840722 Rho 0.1583874E+00 |GRAD(Rho)| 0.4907359E-15 GRAD(Rho)x 0.3118165E-15 GRAD(Rho)y 0.1623593E-15 GRAD(Rho)z 0.3423910E-15 Laplacian 0.6223623E+00 (-1/4)Del**2(Rho)) -0.1555906E+00 Diamond 0.1343680E+01 Metallicity 0.5133786E+01 Ellipticity 0.3184834E-01 Gb(Abramov) 0.2368552E+00 Vb(Abramov) -0.3181198E+00 Hb(Abramov) -0.8126460E-01 Ex_ueg -0.6329160E-01 Ec_ueg -0.8982575E-02 Delta_ex -0.6771394E-01 Delta_ec 0.1553230E-01 Delta_et -0.2081710E+00 Pxc 0.7046042E+01 Qxc -0.4359556E+01 3,-1 169 3 -1 -2.976355 -1.949888 -0.847954 Rho 0.1436477E+00 |GRAD(Rho)| 0.6723745E-13 GRAD(Rho)x 0.2110195E-13 GRAD(Rho)y 0.5359608E-13 GRAD(Rho)z -0.3468490E-13 Laplacian 0.5712369E+00 (-1/4)Del**2(Rho)) -0.1428092E+00 Diamond 0.1105993E+01 Metallicity 0.4752932E+01 Ellipticity 0.3072763E-01 Gb(Abramov) 0.2083332E+00 Vb(Abramov) -0.2738572E+00 Hb(Abramov) -0.6552401E-01 Ex_ueg -0.5556271E-01 Ec_ueg -0.8038126E-02 Delta_ex -0.6077224E-01 Delta_ec 0.1478135E-01 Delta_et -0.1958429E+00 Pxc 0.6912397E+01 Qxc -0.4111414E+01 3,-1 170 3 -1 -0.840733 2.968604 1.969527 Rho 0.1393864E+00 |GRAD(Rho)| 0.7252906E-13 GRAD(Rho)x -0.8672723E-14 GRAD(Rho)y 0.1521330E-13 GRAD(Rho)z -0.7038326E-13 Laplacian 0.5594625E+00 (-1/4)Del**2(Rho)) -0.1398656E+00 Diamond 0.1045260E+01 Metallicity 0.4615401E+01 Ellipticity 0.4289352E-01 Gb(Abramov) 0.2008331E+00 Vb(Abramov) -0.2618005E+00 Hb(Abramov) -0.6096744E-01 Ex_ueg -0.5337594E-01 Ec_ueg -0.7767591E-02 Delta_ex -0.5909088E-01 Delta_ec 0.1459389E-01 Delta_et -0.1925041E+00 Pxc 0.6871621E+01 Qxc -0.4049016E+01 3,-1 171 3 -1 0.350589 -0.341255 0.356212 Rho 0.2037926E+00 |GRAD(Rho)| 0.2169205E-15 GRAD(Rho)x -0.1579400E-16 GRAD(Rho)y -0.1802231E-15 GRAD(Rho)z 0.1196858E-15 Laplacian 0.7373865E+00 (-1/4)Del**2(Rho)) -0.1843466E+00 Diamond 0.2397869E+01 Metallicity 0.6595263E+01 Ellipticity 0.3494396E-02 Gb(Abramov) 0.3255335E+00 Vb(Abramov) -0.4667203E+00 Hb(Abramov) -0.1411869E+00 Ex_ueg -0.8857334E-01 Ec_ueg -0.1197222E-01 Delta_ex -0.8709294E-01 Delta_ec 0.2009077E-01 Delta_et -0.2865923E+00 Pxc 0.7398238E+01 Qxc -0.4334972E+01 3,-1 172 3 -1 -0.580868 -2.774902 1.805690 Rho 0.1440445E+00 |GRAD(Rho)| 0.1020028E-11 GRAD(Rho)x 0.6736142E-12 GRAD(Rho)y 0.2147842E-12 GRAD(Rho)z 0.7352340E-12 Laplacian 0.6097909E+00 (-1/4)Del**2(Rho)) -0.1524477E+00 Diamond 0.1179711E+01 Metallicity 0.4472943E+01 Ellipticity 0.8619638E-02 Gb(Abramov) 0.2152802E+00 Vb(Abramov) -0.2781126E+00 Hb(Abramov) -0.6283243E-01 Ex_ueg -0.5576743E-01 Ec_ueg -0.8063373E-02 Delta_ex -0.6486662E-01 Delta_ec 0.1567737E-01 Delta_et -0.2076036E+00 Pxc 0.6916142E+01 Qxc -0.4137595E+01 3,-1 173 3 -1 2.782214 1.804524 0.574307 Rho 0.1440106E+00 |GRAD(Rho)| 0.2946171E-15 GRAD(Rho)x 0.7926873E-16 GRAD(Rho)y 0.2776100E-15 GRAD(Rho)z 0.5872310E-16 Laplacian 0.6094814E+00 (-1/4)Del**2(Rho)) -0.1523704E+00 Diamond 0.1179587E+01 Metallicity 0.4473458E+01 Ellipticity 0.9320820E-02 Gb(Abramov) 0.2151840E+00 Vb(Abramov) -0.2779976E+00 Hb(Abramov) -0.6281362E-01 Ex_ueg -0.5574992E-01 Ec_ueg -0.8061214E-02 Delta_ex -0.6483847E-01 Delta_ec 0.1568550E-01 Delta_et -0.2077369E+00 Pxc 0.6915822E+01 Qxc -0.4133657E+01 3,-1 174 3 -1 -3.209542 -3.167341 0.052621 Rho 0.2560141E+00 |GRAD(Rho)| 0.1934790E-13 GRAD(Rho)x 0.7209944E-15 GRAD(Rho)y -0.1930975E-13 GRAD(Rho)z -0.9772185E-15 Laplacian 0.9195004E+00 (-1/4)Del**2(Rho)) -0.2298751E+00 Diamond 0.3510520E+01 Metallicity 0.7735723E+01 Ellipticity 0.1187191E-02 Gb(Abramov) 0.4496251E+00 Vb(Abramov) -0.6693751E+00 Hb(Abramov) -0.2197500E+00 Ex_ueg -0.1200614E+00 Ec_ueg -0.1555314E-01 Delta_ex -0.1129695E+00 Delta_ec 0.1988192E-01 Delta_et -0.2756588E+00 Pxc 0.7719434E+01 Qxc -0.5682023E+01 3,-1 175 3 -1 -0.834807 -2.972517 -1.972356 Rho 0.1450365E+00 |GRAD(Rho)| 0.4736273E-15 GRAD(Rho)x 0.4559070E-16 GRAD(Rho)y -0.3651457E-15 GRAD(Rho)z 0.2981827E-15 Laplacian 0.5791264E+00 (-1/4)Del**2(Rho)) -0.1447816E+00 Diamond 0.1130985E+01 Metallicity 0.4763969E+01 Ellipticity 0.3134788E-01 Gb(Abramov) 0.2114769E+00 Vb(Abramov) -0.2781722E+00 Hb(Abramov) -0.6669530E-01 Ex_ueg -0.5628012E-01 Ec_ueg -0.8126542E-02 Delta_ex -0.6172190E-01 Delta_ec 0.1488855E-01 Delta_et -0.1974095E+00 Pxc 0.6925469E+01 Qxc -0.4145595E+01 3,-1 176 3 -1 -0.472474 -1.698638 -1.687990 Rho 0.4033730E-01 |GRAD(Rho)| 0.7143938E-16 GRAD(Rho)x 0.4200648E-17 GRAD(Rho)y 0.6826027E-16 GRAD(Rho)z 0.2065130E-16 Laplacian 0.1601538E+00 (-1/4)Del**2(Rho)) -0.4003846E-01 Diamond 0.5988385E-01 Metallicity 0.2041364E+01 Ellipticity 0.2381323E-01 Gb(Abramov) 0.4031449E-01 Vb(Abramov) -0.4059051E-01 Hb(Abramov) -0.2760244E-03 Ex_ueg -0.1021709E-01 Ec_ueg -0.1888166E-02 Delta_ex -0.1245126E-01 Delta_ec 0.4702741E-02 Delta_et -0.4683378E-01 Pxc 0.5411121E+01 Qxc -0.2647660E+01 3,-1 177 3 -1 -0.582695 -1.820497 2.792831 Rho 0.1390972E+00 |GRAD(Rho)| 0.5368526E-15 GRAD(Rho)x 0.3035088E-15 GRAD(Rho)y -0.4286122E-15 GRAD(Rho)z -0.1112866E-15 Laplacian 0.5855029E+00 (-1/4)Del**2(Rho)) -0.1463757E+00 Diamond 0.1089981E+01 Metallicity 0.4394891E+01 Ellipticity 0.1010023E-01 Gb(Abramov) 0.2048014E+00 Vb(Abramov) -0.2632271E+00 Hb(Abramov) -0.5842566E-01 Ex_ueg -0.5322834E-01 Ec_ueg -0.7749274E-02 Delta_ex -0.6179682E-01 Delta_ec 0.1525713E-01 Delta_et -0.2011401E+00 Pxc 0.6868817E+01 Qxc -0.4050357E+01 3,-1 178 3 -1 2.966224 -0.835089 1.978949 Rho 0.1415462E+00 |GRAD(Rho)| 0.3677424E-09 GRAD(Rho)x 0.1519657E-09 GRAD(Rho)y -0.2655376E-09 GRAD(Rho)z -0.2040359E-09 Laplacian 0.5668016E+00 (-1/4)Del**2(Rho)) -0.1417004E+00 Diamond 0.1077345E+01 Metallicity 0.4673896E+01 Ellipticity 0.2439377E-01 Gb(Abramov) 0.2048491E+00 Vb(Abramov) -0.2679978E+00 Hb(Abramov) -0.6314870E-01 Ex_ueg -0.5448154E-01 Ec_ueg -0.7904565E-02 Delta_ex -0.6007556E-01 Delta_ec 0.1470394E-01 Delta_et -0.1943554E+00 Pxc 0.6892414E+01 Qxc -0.4085678E+01 3,-1 179 3 -1 3.201667 -0.075704 -3.198749 Rho 0.2456652E+00 |GRAD(Rho)| 0.4223690E-15 GRAD(Rho)x -0.4093947E-15 GRAD(Rho)y 0.4987330E-16 GRAD(Rho)z 0.9112719E-16 Laplacian 0.8628384E+00 (-1/4)Del**2(Rho)) -0.2157096E+00 Diamond 0.3166101E+01 Metallicity 0.7695848E+01 Ellipticity 0.1038475E-02 Gb(Abramov) 0.4204844E+00 Vb(Abramov) -0.6252593E+00 Hb(Abramov) -0.2047748E+00 Ex_ueg -0.1136344E+00 Ec_ueg -0.1483161E-01 Delta_ex -0.1050287E+00 Delta_ec 0.1918268E-01 Delta_et -0.2670602E+00 Pxc 0.7661637E+01 Qxc -0.5475184E+01 3,-1 180 3 -1 3.188929 0.065142 3.201368 Rho 0.2564955E+00 |GRAD(Rho)| 0.1139630E-14 GRAD(Rho)x 0.8908889E-15 GRAD(Rho)y 0.1689458E-15 GRAD(Rho)z 0.6903115E-15 Laplacian 0.9204533E+00 (-1/4)Del**2(Rho)) -0.2301133E+00 Diamond 0.3520575E+01 Metallicity 0.7751951E+01 Ellipticity 0.1054564E-02 Gb(Abramov) 0.4507134E+00 Vb(Abramov) -0.6713135E+00 Hb(Abramov) -0.2206001E+00 Ex_ueg -0.1203626E+00 Ec_ueg -0.1558685E-01 Delta_ex -0.1131350E+00 Delta_ec 0.1987763E-01 Delta_et -0.2755423E+00 Pxc 0.7722060E+01 Qxc -0.5691576E+01 3,-1 181 3 -1 -0.057535 -3.209325 3.189011 Rho 0.2565534E+00 |GRAD(Rho)| 0.3445045E-10 GRAD(Rho)x -0.5725152E-11 GRAD(Rho)y -0.2416546E-10 GRAD(Rho)z 0.2387648E-10 Laplacian 0.9187855E+00 (-1/4)Del**2(Rho)) -0.2296964E+00 Diamond 0.3517789E+01 Metallicity 0.7768945E+01 Ellipticity 0.1274928E-02 Gb(Abramov) 0.4505473E+00 Vb(Abramov) -0.6713983E+00 Hb(Abramov) -0.2208509E+00 Ex_ueg -0.1203988E+00 Ec_ueg -0.1559090E-01 Delta_ex -0.1129496E+00 Delta_ec 0.1986317E-01 Delta_et -0.2754531E+00 Pxc 0.7722375E+01 Qxc -0.5686383E+01 3,-1 182 3 -1 0.081523 -3.219487 -3.179422 Rho 0.2562215E+00 |GRAD(Rho)| 0.1772733E-10 GRAD(Rho)x 0.2941544E-11 GRAD(Rho)y -0.1239951E-10 GRAD(Rho)z -0.1232305E-10 Laplacian 0.9207963E+00 (-1/4)Del**2(Rho)) -0.2301991E+00 Diamond 0.3518057E+01 Metallicity 0.7735270E+01 Ellipticity 0.2480819E-02 Gb(Abramov) 0.4502414E+00 Vb(Abramov) -0.6702837E+00 Hb(Abramov) -0.2200423E+00 Ex_ueg -0.1201911E+00 Ec_ueg -0.1556766E-01 Delta_ex -0.1131488E+00 Delta_ec 0.1989767E-01 Delta_et -0.2758452E+00 Pxc 0.7720566E+01 Qxc -0.5686534E+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 91 177 172 89 152 181 176 85 153 88 175 182 151 136 116 140 138 157 137 165 158 156 170 159 96 100 95 101 99 146 128 173 121 162 161 127 154 63 150 168 155 55 129 102 131 169 130 174 66 65 133 57 167 62 72 60 68 106 135 64 107 164 124 178 144 180 122 145 142 163 123 179 171 76 115 78 166 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 2.477923 1.941303 1.926940 1.937262 1.933003 1.718933 2.459746 1.922307 1.910373 1.979242 1.935219 1.719372 2.439094 1.937185 1.966082 1.912959 1.931955 1.719491 2.498525 1.922378 1.927916 1.936730 1.949885 1.718241 2.521125 1.927399 1.942203 1.926047 1.935689 1.718259 2.461324 1.927122 1.931366 1.943289 1.941845 1.719463 2.337848 1.850842 1.900152 1.903271 1.926279 1.854137 2.462239 1.924926 1.932851 1.939427 1.945603 1.719691 2.481180 2.037308 1.922426 1.939931 1.897221 1.707575 2.524605 1.936658 1.914206 1.979047 1.943815 1.707538 2.462233 1.928942 1.929866 1.943933 1.938545 1.719002 2.489253 1.930392 1.943447 1.940065 1.969645 1.708280 1.553827 1.553316 1.552881 1.565194 0.981837 2.478939 1.941741 1.927310 1.937949 1.933675 1.718935 2.460748 1.922760 1.910762 1.979929 1.935877 1.719373 2.440193 1.937598 1.966503 1.913588 1.932628 1.719497 2.499484 1.922746 1.928287 1.937365 1.950273 1.718244 2.522034 1.927805 1.942601 1.926679 1.936368 1.718265 2.462359 1.927491 1.931780 1.943930 1.942491 1.719469 2.338866 1.851453 1.900691 1.904035 1.927135 1.855838 2.463282 1.925343 1.933252 1.940085 1.946281 1.719692 2.482175 2.037780 1.923015 1.940787 1.897933 1.707583 2.525509 1.937178 1.914734 1.979655 1.944656 1.707545 2.463277 1.929311 1.930279 1.944614 1.939197 1.719006 2.490190 1.930899 1.943991 1.940902 1.970512 1.708287 1.553833 1.553329 1.552905 1.565268 0.982127 29 25 23 26 25 20 29 25 26 27 23 21 27 23 25 27 26 21 29 23 23 23 23 20 29 23 26 23 26 22 29 23 26 23 23 24 27 22 24 23 25 23 29 23 25 23 27 21 29 24 23 23 23 20 29 23 25 26 23 20 29 23 26 26 23 21 29 23 23 23 25 20 20 22 24 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 W W W W W W Mo Mo 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 2.5304 2.5153 2.5171 2.5203 2.5240 2.5217 2.6345 2.5183 2.4015 2.4090 2.5341 2.4037 -1.0440 -1.0496 -1.0497 -1.0542 -0.9138 -0.9139 -0.8919 -0.9462 -0.9135 -0.9459 -0.9136 -0.9115 -0.9285 -0.9453 -0.9466 -0.9436 -0.9414 -0.9023 -0.9037 -0.8958 -0.9420 -0.9032 -0.9064 -0.8936 -0.9416 -0.9273 -0.9422 -0.9373 -0.7191 -0.7187 -0.7176 -0.7164 -0.7183 -0.7205 -0.6726 -0.7200 -0.6345 -0.6370 -0.7194 -0.6383 2.3487 0.3023 2.0787 2.0819 2.0789 2.0805 2.0790 2.0823 2.0674 2.0813 1.9450 1.9332 2.0806 1.9423 1.8922 1.8931 1.8927 1.8941 1.9398 1.9398 1.9455 1.9357 1.9399 1.9358 1.9398 1.9407 1.9394 1.9361 1.9354 1.9363 1.9479 1.9508 1.9510 1.9517 1.9480 1.9511 1.9503 1.9534 1.9496 1.9516 1.9480 1.9498 1.9783 1.9784 1.9783 1.9795 1.9789 1.9782 1.8792 1.9781 1.9908 1.9909 1.9782 1.9902 2.4873 0.5990 6.0800 6.0854 6.0851 6.0864 6.0828 6.0856 6.0867 6.0844 6.0473 6.0502 6.0805 6.0505 5.1113 5.1154 5.1157 5.1186 4.9453 4.9454 4.9161 4.9798 4.9452 4.9792 4.9455 4.9419 4.9581 4.9786 4.9806 4.9762 4.9597 4.9203 4.9216 4.9123 4.9606 4.9206 4.9251 4.9083 4.9588 4.9422 4.9605 4.9537 4.7014 4.7010 4.6999 4.6972 4.6999 4.7029 4.7610 4.7026 4.6060 4.6085 4.7018 4.6106 7.3281 0.0987 3.2821 3.2884 3.2899 3.2840 3.2854 3.2815 3.1804 3.2871 3.6062 3.6075 3.2759 3.6036 0.0405 0.0411 0.0414 0.0415 0.0286 0.0287 0.0303 0.0307 0.0284 0.0310 0.0284 0.0289 0.0309 0.0306 0.0306 0.0311 0.0338 0.0312 0.0310 0.0317 0.0334 0.0315 0.0310 0.0319 0.0333 0.0335 0.0338 0.0338 0.0394 0.0394 0.0394 0.0396 0.0395 0.0393 0.0325 0.0393 0.0377 0.0376 0.0394 0.0374 0.8359 0.0000 14.0289 14.0289 14.0288 14.0289 14.0288 14.0289 14.0310 14.0289 0.0000 0.0000 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 W W W W W W Mo Mo 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 2.530002 2.527299 2.528459 2.527885 2.527723 2.529361 2.578132 2.528159 3.187347 3.189410 2.532532 3.189662 -1.034106 -1.066380 -1.066347 -1.057587 -1.043355 -1.044648 -0.990197 -0.930227 -1.042879 -0.929292 -1.047856 -1.047327 -0.917236 -0.928281 -0.931208 -0.926033 -0.902800 -1.012359 -1.013061 -0.993553 -0.903219 -1.003581 -1.015701 -1.017390 -0.901717 -0.887847 -0.903303 -0.899213 -0.738067 -0.737502 -0.735183 -0.733671 -0.736595 -0.739603 -0.496743 -0.739209 -0.896714 -0.900363 -0.738959 -0.902401 2.005982 0.169762 1.961421 1.965027 1.966044 1.959012 1.960705 1.957737 1.849313 1.962598 2.383076 2.382740 1.956424 2.380434 -0.777335 -0.825802 -0.822239 -0.797589 -0.793884 -0.795040 -0.750860 -0.694895 -0.796127 -0.695539 -0.795491 -0.800084 -0.663443 -0.693439 -0.693842 -0.694607 -0.723113 -0.806222 -0.812376 -0.776325 -0.723158 -0.808828 -0.812699 -0.810772 -0.723813 -0.684912 -0.722913 -0.722338 -0.615357 -0.608539 -0.605586 -0.607495 -0.612579 -0.615800 -0.622833 -0.612963 -0.643216 -0.649462 -0.619284 -0.653929 1.547481 0.452716 2.058497 2.059484 2.060094 2.051807 2.056996 2.054458 2.072274 2.059653 2.457319 2.457261 2.052294 2.460909 -0.829786 -0.858822 -0.855707 -0.840000 -0.866199 -0.869974 -0.846052 -0.769857 -0.868774 -0.770462 -0.870899 -0.872168 -0.766763 -0.772262 -0.770941 -0.770447 -0.757649 -0.844657 -0.851474 -0.821603 -0.757764 -0.842626 -0.856024 -0.841557 -0.768147 -0.739925 -0.760334 -0.763071 -0.582678 -0.572631 -0.570306 -0.571913 -0.580108 -0.580123 -0.618647 -0.577453 -0.604648 -0.609690 -0.587096 -0.615003 1.520849 0.452347 -8.64985168 6.67265890 -3.07613233 11.34931280 16.95336518 -34.22406986 7.36108664 -2.18782609 -9.21510283 -14.76553909 -409.3205 405.4670 -73.3238 -376.1477 -5.0894 -458.4143 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 0 Apr15-2024 08:39:48 Nodes: 1 Procs: 1 Apr15-2024 08:39:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Apr15-2024 08:39:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Apr15-2024 08:39:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr15-2024 08:39:52 Nodes: 1 Procs: 1 Apr15-2024 08:39:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr15-2024 08:39:59 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.14709298 -16.64665118 -16.03825899 -16.79274134 -16.83297640 -16.84167016 -16.84320917 -16.84469789 -16.84570704 -16.84589702 -16.84612146 -16.84625067 -16.84631580 -16.84633986 -16.84636431 -16.84638656 -16.84639588 -16.84640919 -16.84641651 GEOMETRY CONVERGED