ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 3.32 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 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.01 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 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar30-2024 00:36:21 Nodes: 1 Procs: 1 Mar30-2024 00:36:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:23 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 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar30-2024 00:36:21 Nodes: 1 Procs: 1 Mar30-2024 00:36:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:23 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) 1.34 0.03 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 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar30-2024 00:36:21 Nodes: 1 Procs: 1 Mar30-2024 00:36:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Mar30-2024 00:36:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar30-2024 00:36:26 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2053.7133609999973 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Mar30-2024 00:36:24 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar30-2024 00:36:23 1 1 Oxygen TZP 1s t21.Mo ADF 2019 Mar30-2024 00:36:22 1 1 Molybdenum TZP 3d t21.P ADF 2019 Mar30-2024 00:36:20 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar30-2024 00:36:18 1 1 Hydrogen TZP 1 1 -14.00567752 0.24708139 0.00100000 F 0.09996262 0.00066667 F 0.24708139 0.09996262 0.25418283 0.01000000 F 0.05553510 0.00666667 F Cartesian 2053.7133609999973 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-3.076858 -1.911044 Rho 0.4361415E+07 3,-3 2 3 -3 -0.429163 3.154614 1.757458 Rho 0.4361415E+07 3,-3 3 3 -3 0.087692 -0.076315 -3.562254 Rho 0.4361415E+07 3,-3 4 3 -3 2.460648 2.603692 -0.066487 Rho 0.4361415E+07 3,-3 5 3 -3 -0.114374 -0.096637 3.571244 Rho 0.4361415E+07 3,-3 6 3 -3 0.398943 -3.034003 1.792624 Rho 0.4361415E+07 3,-3 7 3 -3 3.041747 -0.630317 -1.836658 Rho 0.4361415E+07 3,-3 8 3 -3 -0.197539 0.175265 -5.269197 Rho 0.3192636E+03 3,-3 9 3 -3 3.909614 3.592751 -0.029686 Rho 0.3192325E+03 3,-3 10 3 -3 -0.154838 0.099593 5.318905 Rho 0.3192207E+03 3,-3 11 3 -3 0.626140 -0.655507 -1.289241 Rho 0.3187829E+03 3,-3 12 3 -3 -1.668152 -0.261704 -0.272015 Rho 0.3189170E+03 3,-3 13 3 -3 0.191104 1.519956 -0.004078 Rho 0.3187964E+03 3,-3 14 3 -3 0.409716 -0.683970 1.257482 Rho 0.3187885E+03 3,-3 15 3 -3 -1.328220 -3.180212 1.491349 Rho 0.3192591E+03 3,-3 16 3 -3 0.058081 1.786817 -2.941129 Rho 0.3189026E+03 3,-3 17 3 -3 -1.842899 -0.084344 3.111017 Rho 0.3191786E+03 3,-3 18 3 -3 2.911160 1.297687 -1.365125 Rho 0.3188714E+03 3,-3 19 3 -3 -2.278948 2.446838 -1.655601 Rho 0.3194081E+03 3,-3 20 3 -3 3.389591 -0.928450 -0.031633 Rho 0.3189382E+03 3,-3 21 3 -3 -2.157747 2.248393 1.775884 Rho 0.3187082E+03 3,-3 22 3 -3 0.941131 -3.277321 -0.056891 Rho 0.3188118E+03 3,-3 23 3 -3 0.106218 1.738923 2.977446 Rho 0.3188473E+03 3,-3 24 3 -3 -1.290467 -3.165488 -1.637930 Rho 0.3192644E+03 3,-3 25 3 -3 2.894238 1.256966 1.265412 Rho 0.3189255E+03 3,-3 26 3 -3 -1.708860 -0.227699 -2.896374 Rho 0.3187400E+03 3,-3 27 3 -3 1.999992 -0.030727 -3.447101 Rho 0.3189348E+03 3,-3 28 3 -3 -0.835163 4.515404 -2.765288 Rho 0.3193409E+03 3,-3 29 3 -3 1.383736 3.541974 -1.262860 Rho 0.3190173E+03 3,-3 30 3 -3 0.160056 -2.011954 3.465615 Rho 0.3188945E+03 3,-3 31 3 -3 2.454511 -2.360685 -2.166762 Rho 0.3189903E+03 3,-3 32 3 -3 -0.886092 3.957184 0.102921 Rho 0.3189747E+03 3,-3 33 3 -3 2.422326 -2.319365 2.022525 Rho 0.3190847E+03 3,-3 34 3 -3 0.816021 -4.607159 2.469957 Rho 0.3192089E+03 3,-3 35 3 -3 2.002935 -0.071626 3.444303 Rho 0.3190627E+03 3,-3 36 3 -3 0.225427 -2.006945 -3.556490 Rho 0.3189099E+03 3,-3 37 3 -3 1.437614 3.461405 1.397904 Rho 0.3189270E+03 3,-3 38 3 -3 0.825318 -4.664082 -2.573460 Rho 0.3192119E+03 3,-3 39 3 -3 4.648113 -0.653980 -2.541044 Rho 0.3192367E+03 3,-3 40 3 -3 -0.731267 4.484748 2.855174 Rho 0.3192490E+03 3,-3 41 3 -3 4.639545 -0.634863 2.582505 Rho 0.3193497E+03 3,-3 42 3 -3 3.007189 -0.562154 1.961123 Rho 0.1240651E+06 3,-3 43 3 -3 -0.657462 3.107203 -1.734809 Rho 0.1240649E+06 3,-3 44 3 -3 -0.187811 -0.025051 -0.055084 Rho 0.2439621E+04 3,-3 45 3 -3 -2.118741 1.329819 2.180235 Rho 0.4360223E+00 3,-3 46 3 -3 -1.795695 -0.250916 -1.872843 Rho 0.4089581E+00 3,-3 47 3 -1 -1.332737 2.651932 1.773298 Rho 0.1426371E+00 |GRAD(Rho)| 0.7886796E-13 GRAD(Rho)x -0.5531112E-13 GRAD(Rho)y -0.5528285E-13 GRAD(Rho)z 0.1022946E-13 Laplacian 0.5384704E+00 (-1/4)Del**2(Rho)) -0.1346176E+00 Diamond 0.1044153E+01 Metallicity 0.4983168E+01 Ellipticity 0.1130718E+00 Gb(Abramov) 0.2015488E+00 Vb(Abramov) -0.2684799E+00 Hb(Abramov) -0.6693116E-01 Ex_ueg -0.5504211E-01 Ec_ueg -0.7973862E-02 Delta_ex -0.5729862E-01 Delta_ec 0.1415541E-01 Delta_et -0.1877724E+00 Pxc 0.6902818E+01 Qxc -0.4047826E+01 3,-1 48 3 +1 0.584713 3.478354 0.046411 Rho 0.1224337E-01 |GRAD(Rho)| 0.3443964E-12 GRAD(Rho)x -0.6733246E-13 GRAD(Rho)y -0.3377499E-12 GRAD(Rho)z 0.4722416E-15 Laplacian 0.5672554E-01 (-1/4)Del**2(Rho)) -0.1418138E-01 Diamond 0.2045811E-02 Metallicity 0.7900775E+00 Ellipticity -0.1223169E+01 Gb(Abramov) 0.1132165E-01 Vb(Abramov) -0.8461926E-02 Hb(Abramov) 0.2859729E-02 Ex_ueg -0.2084106E-02 Ec_ueg -0.4708156E-03 Delta_ex -0.2721354E-02 Delta_ec 0.5902955E-03 Delta_et -0.4558986E-02 Pxc 0.4426587E+01 Qxc -0.4610155E+01 3,+1 49 3 -1 -1.522284 2.753190 -1.687270 Rho 0.2181033E+00 |GRAD(Rho)| 0.5617211E-14 GRAD(Rho)x 0.5043004E-14 GRAD(Rho)y 0.2374457E-14 GRAD(Rho)z -0.6950752E-15 Laplacian 0.8425963E+00 (-1/4)Del**2(Rho)) -0.2106491E+00 Diamond 0.2625698E+01 Metallicity 0.6462950E+01 Ellipticity 0.1893019E-01 Gb(Abramov) 0.3673351E+00 Vb(Abramov) -0.5240212E+00 Hb(Abramov) -0.1566860E+00 Ex_ueg -0.9696197E-01 Ec_ueg -0.1293861E-01 Delta_ex -0.9912086E-01 Delta_ec 0.1881017E-01 Delta_et -0.2581188E+00 Pxc 0.7494004E+01 Qxc -0.5269534E+01 3,-1 50 3 +1 -1.037390 -1.635571 -1.029806 Rho 0.5866638E-02 |GRAD(Rho)| 0.1009982E-16 GRAD(Rho)x 0.1145189E-17 GRAD(Rho)y -0.7359022E-17 GRAD(Rho)z -0.6822003E-17 Laplacian 0.2261059E-01 (-1/4)Del**2(Rho)) -0.5652648E-02 Diamond 0.5510421E-03 Metallicity 0.5815897E+00 Ellipticity -0.2236618E+01 Gb(Abramov) 0.4316353E-02 Vb(Abramov) -0.2980057E-02 Hb(Abramov) 0.1336296E-02 Ex_ueg -0.7814553E-03 Ec_ueg -0.1843963E-03 Delta_ex -0.1082753E-02 Delta_ec 0.5744007E-03 Delta_et -0.3327076E-02 Pxc 0.4237911E+01 Qxc -0.1885014E+01 3,+1 51 3 +1 -1.884816 0.919775 -1.506648 Rho 0.6568378E-02 |GRAD(Rho)| 0.8963374E-14 GRAD(Rho)x 0.6609536E-14 GRAD(Rho)y -0.3163221E-14 GRAD(Rho)z 0.5162378E-14 Laplacian 0.2594547E-01 (-1/4)Del**2(Rho)) -0.6486368E-02 Diamond 0.6773139E-03 Metallicity 0.6118550E+00 Ellipticity -0.1858204E+01 Gb(Abramov) 0.4985698E-02 Vb(Abramov) -0.3485028E-02 Hb(Abramov) 0.1500670E-02 Ex_ueg -0.9085090E-03 Ec_ueg -0.2150186E-03 Delta_ex -0.1234617E-02 Delta_ec 0.5910372E-03 Delta_et -0.3570786E-02 Pxc 0.4225258E+01 Qxc -0.2088900E+01 3,+1 52 3 -1 -1.935933 1.118153 -2.234063 Rho 0.8546578E-02 |GRAD(Rho)| 0.4830246E-17 GRAD(Rho)x 0.8233160E-18 GRAD(Rho)y 0.4011548E-17 GRAD(Rho)z 0.2561428E-17 Laplacian 0.3398807E-01 (-1/4)Del**2(Rho)) -0.8497019E-02 Diamond 0.2001805E-02 Metallicity 0.7243365E+00 Ellipticity 0.1503508E+00 Gb(Abramov) 0.6690463E-02 Vb(Abramov) -0.4883906E-02 Hb(Abramov) 0.1806556E-02 Ex_ueg -0.1290550E-02 Ec_ueg -0.3025905E-03 Delta_ex -0.2050005E-02 Delta_ec 0.1370516E-02 Delta_et -0.8626143E-02 Pxc 0.4265004E+01 Qxc -0.1495790E+01 3,-1 53 3 +1 0.530122 2.546403 -0.780052 Rho 0.2201762E-01 |GRAD(Rho)| 0.1654090E-13 GRAD(Rho)x -0.8965468E-14 GRAD(Rho)y 0.7394167E-14 GRAD(Rho)z -0.1177064E-13 Laplacian 0.8331022E-01 (-1/4)Del**2(Rho)) -0.2082755E-01 Diamond 0.8476471E-02 Metallicity 0.1430646E+01 Ellipticity -0.2564381E+01 Gb(Abramov) 0.1885118E-01 Vb(Abramov) -0.1687480E-01 Hb(Abramov) 0.1976375E-02 Ex_ueg -0.4557698E-02 Ec_ueg -0.9397611E-03 Delta_ex -0.4922814E-02 Delta_ec 0.1259286E-02 Delta_et -0.1082139E-01 Pxc 0.4849848E+01 Qxc -0.3909210E+01 3,+1 54 3 -1 -0.765532 3.535422 -0.763345 Rho 0.1067365E+00 |GRAD(Rho)| 0.4282864E-16 GRAD(Rho)x -0.1349662E-16 GRAD(Rho)y -0.3976989E-16 GRAD(Rho)z 0.8395791E-17 Laplacian 0.4095368E+00 (-1/4)Del**2(Rho)) -0.1023842E+00 Diamond 0.5532655E+00 Metallicity 0.4041185E+01 Ellipticity 0.2076386E-01 Gb(Abramov) 0.1372151E+00 Vb(Abramov) -0.1720459E+00 Hb(Abramov) -0.3483085E-01 Ex_ueg -0.3739405E-01 Ec_ueg -0.5734904E-02 Delta_ex -0.4055914E-01 Delta_ec 0.1131869E-01 Delta_et -0.1424812E+00 Pxc 0.6520433E+01 Qxc -0.3583379E+01 3,-1 55 3 +1 -0.371814 2.701897 -0.184419 Rho 0.2285376E-01 |GRAD(Rho)| 0.4221554E-15 GRAD(Rho)x 0.3353284E-15 GRAD(Rho)y 0.6509583E-16 GRAD(Rho)z 0.2480575E-15 Laplacian 0.8754376E-01 (-1/4)Del**2(Rho)) -0.2188594E-01 Diamond 0.9866411E-02 Metallicity 0.1448719E+01 Ellipticity -0.3026740E+01 Gb(Abramov) 0.1987506E-01 Vb(Abramov) -0.1786417E-01 Hb(Abramov) 0.2010884E-02 Ex_ueg -0.4789925E-02 Ec_ueg -0.9812736E-03 Delta_ex -0.5285181E-02 Delta_ec 0.1430269E-02 Delta_et -0.1236537E-01 Pxc 0.4881335E+01 Qxc -0.3695235E+01 3,+1 56 3 -1 -0.668927 3.565215 0.866073 Rho 0.1607272E+00 |GRAD(Rho)| 0.2339065E-15 GRAD(Rho)x 0.1220541E-15 GRAD(Rho)y -0.7162511E-16 GRAD(Rho)z 0.1862388E-15 Laplacian 0.6437144E+00 (-1/4)Del**2(Rho)) -0.1609286E+00 Diamond 0.1417195E+01 Metallicity 0.5086302E+01 Ellipticity 0.6249906E-01 Gb(Abramov) 0.2437077E+00 Vb(Abramov) -0.3264867E+00 Hb(Abramov) -0.8277905E-01 Ex_ueg -0.6454127E-01 Ec_ueg -0.9133708E-02 Delta_ex -0.7031695E-01 Delta_ec 0.1604977E-01 Delta_et -0.2156215E+00 Pxc 0.7066273E+01 Qxc -0.4381182E+01 3,-1 57 3 -1 -0.751940 3.859618 -2.284144 Rho 0.2178818E+00 |GRAD(Rho)| 0.9211356E-15 GRAD(Rho)x 0.1056419E-15 GRAD(Rho)y -0.7724940E-15 GRAD(Rho)z 0.4904931E-15 Laplacian 0.7927079E+00 (-1/4)Del**2(Rho)) -0.1981770E+00 Diamond 0.2508170E+01 Metallicity 0.6858063E+01 Ellipticity 0.1581440E-01 Gb(Abramov) 0.3586363E+00 Vb(Abramov) -0.5190957E+00 Hb(Abramov) -0.1604594E+00 Ex_ueg -0.9683066E-01 Ec_ueg -0.1292356E-01 Delta_ex -0.9347555E-01 Delta_ec 0.1814437E-01 Delta_et -0.2507255E+00 Pxc 0.7492569E+01 Qxc -0.5151767E+01 3,-1 58 3 +1 1.583226 -1.208920 1.639195 Rho 0.2030168E-01 |GRAD(Rho)| 0.2581475E-15 GRAD(Rho)x 0.2435421E-15 GRAD(Rho)y 0.3329213E-16 GRAD(Rho)z 0.7886093E-16 Laplacian 0.7638201E-01 (-1/4)Del**2(Rho)) -0.1909550E-01 Diamond 0.7668022E-02 Metallicity 0.1363040E+01 Ellipticity -0.3563524E+01 Gb(Abramov) 0.1706832E-01 Vb(Abramov) -0.1504114E-01 Hb(Abramov) 0.2027179E-02 Ex_ueg -0.4090354E-02 Ec_ueg -0.8552021E-03 Delta_ex -0.4519060E-02 Delta_ec 0.1338444E-02 Delta_et -0.1120404E-01 Pxc 0.4782909E+01 Qxc -0.3376352E+01 3,+1 59 3 -1 -0.592404 3.873227 2.350125 Rho 0.2353391E+00 |GRAD(Rho)| 0.3329266E-14 GRAD(Rho)x 0.1923686E-14 GRAD(Rho)y 0.2635153E-14 GRAD(Rho)z 0.6628812E-15 Laplacian 0.8593907E+00 (-1/4)Del**2(Rho)) -0.2148477E+00 Diamond 0.2971844E+01 Metallicity 0.7193045E+01 Ellipticity 0.2577083E-02 Gb(Abramov) 0.4008000E+00 Vb(Abramov) -0.5867522E+00 Hb(Abramov) -0.1859523E+00 Ex_ueg -0.1073109E+00 Ec_ueg -0.1411752E-01 Delta_ex -0.1033201E+00 Delta_ec 0.1912728E-01 Delta_et -0.2648954E+00 Pxc 0.7601261E+01 Qxc -0.5401716E+01 3,-1 60 3 -1 -0.231312 2.274539 -0.858758 Rho 0.3614278E-01 |GRAD(Rho)| 0.5942594E-15 GRAD(Rho)x -0.2921335E-15 GRAD(Rho)y 0.4813343E-15 GRAD(Rho)z -0.1900514E-15 Laplacian 0.1383317E+00 (-1/4)Del**2(Rho)) -0.3458292E-01 Diamond 0.4623979E-01 Metallicity 0.1968162E+01 Ellipticity 0.1689806E-01 Gb(Abramov) 0.3439941E-01 Vb(Abramov) -0.3421590E-01 Hb(Abramov) 0.1835083E-03 Ex_ueg -0.8825659E-02 Ec_ueg -0.1664599E-02 Delta_ex -0.1057848E-01 Delta_ec 0.4265300E-02 Delta_et -0.4124626E-01 Pxc 0.5301974E+01 Qxc -0.2480126E+01 3,-1 61 3 -1 -0.121274 2.292442 0.861654 Rho 0.3883070E-01 |GRAD(Rho)| 0.3922650E-14 GRAD(Rho)x -0.8841361E-15 GRAD(Rho)y 0.2692952E-14 GRAD(Rho)z 0.2711732E-14 Laplacian 0.1469913E+00 (-1/4)Del**2(Rho)) -0.3674783E-01 Diamond 0.5174084E-01 Metallicity 0.2087437E+01 Ellipticity 0.1814274E-01 Gb(Abramov) 0.3728335E-01 Vb(Abramov) -0.3781888E-01 Hb(Abramov) -0.5355222E-03 Ex_ueg -0.9711478E-02 Ec_ueg -0.1807483E-02 Delta_ex -0.1129334E-01 Delta_ec 0.4268974E-02 Delta_et -0.4207633E-01 Pxc 0.5372930E+01 Qxc -0.2645446E+01 3,-1 62 3 +1 0.105243 0.937597 1.568759 Rho 0.8168110E-02 |GRAD(Rho)| 0.1405611E-14 GRAD(Rho)x 0.1235967E-15 GRAD(Rho)y 0.5752726E-15 GRAD(Rho)z -0.1276529E-14 Laplacian 0.3415721E-01 (-1/4)Del**2(Rho)) -0.8539302E-02 Diamond 0.8782128E-03 Metallicity 0.6683440E+00 Ellipticity -0.1383421E+01 Gb(Abramov) 0.6644067E-02 Vb(Abramov) -0.4748831E-02 Hb(Abramov) 0.1895236E-02 Ex_ueg -0.1214919E-02 Ec_ueg -0.2856978E-03 Delta_ex -0.1552851E-02 Delta_ec 0.5031263E-03 Delta_et -0.3374969E-02 Pxc 0.4252461E+01 Qxc -0.3086404E+01 3,+1 63 3 -1 0.523170 -1.834799 -1.574434 Rho 0.3722690E-01 |GRAD(Rho)| 0.2568422E-16 GRAD(Rho)x -0.3992238E-17 GRAD(Rho)y -0.4652540E-17 GRAD(Rho)z -0.2494184E-16 Laplacian 0.1366332E+00 (-1/4)Del**2(Rho)) -0.3415831E-01 Diamond 0.4544699E-01 Metallicity 0.2093237E+01 Ellipticity 0.3173910E-01 Gb(Abramov) 0.3468911E-01 Vb(Abramov) -0.3521991E-01 Hb(Abramov) -0.5308019E-03 Ex_ueg -0.9180386E-02 Ec_ueg -0.1722061E-02 Delta_ex -0.1039038E-01 Delta_ec 0.3973090E-02 Delta_et -0.3871755E-01 Pxc 0.5331047E+01 Qxc -0.2615189E+01 3,-1 64 3 -1 0.393220 -1.825057 1.490534 Rho 0.4566231E-01 |GRAD(Rho)| 0.1002791E-12 GRAD(Rho)x -0.5652432E-14 GRAD(Rho)y -0.6990556E-13 GRAD(Rho)z 0.7167395E-13 Laplacian 0.1746412E+00 (-1/4)Del**2(Rho)) -0.4366030E-01 Diamond 0.7845030E-01 Metallicity 0.2301776E+01 Ellipticity 0.1601857E-01 Gb(Abramov) 0.4585623E-01 Vb(Abramov) -0.4805217E-01 Hb(Abramov) -0.2195936E-02 Ex_ueg -0.1205394E-01 Ec_ueg -0.2176544E-02 Delta_ex -0.1406096E-01 Delta_ec 0.5224040E-02 Delta_et -0.5379111E-01 Pxc 0.5538110E+01 Qxc -0.2691588E+01 3,-1 65 3 +1 1.422325 1.673955 -2.009722 Rho 0.5112901E-02 |GRAD(Rho)| 0.2257890E-14 GRAD(Rho)x 0.1418055E-16 GRAD(Rho)y 0.1895221E-14 GRAD(Rho)z 0.1227194E-14 Laplacian 0.2103124E-01 (-1/4)Del**2(Rho)) -0.5257809E-02 Diamond 0.5154380E-03 Metallicity 0.4971956E+00 Ellipticity -0.3372918E+01 Gb(Abramov) 0.3940899E-02 Vb(Abramov) -0.2623990E-02 Hb(Abramov) 0.1316910E-02 Ex_ueg -0.6505413E-03 Ec_ueg -0.1517746E-03 Delta_ex -0.1059225E-02 Delta_ec 0.6784180E-03 Delta_et -0.3702646E-02 Pxc 0.4286233E+01 Qxc -0.1561316E+01 3,+1 66 3 +1 0.116146 0.943674 -1.582401 Rho 0.8671950E-02 |GRAD(Rho)| 0.1042020E-15 GRAD(Rho)x 0.9415766E-16 GRAD(Rho)y 0.2261970E-16 GRAD(Rho)z 0.3848028E-16 Laplacian 0.3564977E-01 (-1/4)Del**2(Rho)) -0.8912442E-02 Diamond 0.9920879E-03 Metallicity 0.7075401E+00 Ellipticity -0.1418145E+01 Gb(Abramov) 0.6992613E-02 Vb(Abramov) -0.5072784E-02 Hb(Abramov) 0.1919829E-02 Ex_ueg -0.1315853E-02 Ec_ueg -0.3082005E-03 Delta_ex -0.1644162E-02 Delta_ec 0.5232577E-03 Delta_et -0.3566602E-02 Pxc 0.4269471E+01 Qxc -0.3142166E+01 3,+1 67 3 +1 0.882554 2.449996 0.622123 Rho 0.2283716E-01 |GRAD(Rho)| 0.2899294E-16 GRAD(Rho)x 0.2473729E-16 GRAD(Rho)y -0.2649273E-17 GRAD(Rho)z 0.1488753E-16 Laplacian 0.8732577E-01 (-1/4)Del**2(Rho)) -0.2183144E-01 Diamond 0.1026445E-01 Metallicity 0.1450578E+01 Ellipticity -0.3825513E+01 Gb(Abramov) 0.1983233E-01 Vb(Abramov) -0.1783322E-01 Hb(Abramov) 0.1999113E-02 Ex_ueg -0.4785286E-02 Ec_ueg -0.9804475E-03 Delta_ex -0.5323986E-02 Delta_ec 0.1521314E-02 Delta_et -0.1312139E-01 Pxc 0.4880717E+01 Qxc -0.3499597E+01 3,+1 68 3 +3 1.141749 1.178093 -1.645682 Rho 0.4245243E-02 |GRAD(Rho)| 0.7952792E-14 GRAD(Rho)x -0.4385794E-14 GRAD(Rho)y -0.4693959E-14 GRAD(Rho)z 0.4688120E-14 Laplacian 0.1768503E-01 (-1/4)Del**2(Rho)) -0.4421257E-02 Diamond 0.1398233E-03 Metallicity 0.4336889E+00 Ellipticity -0.2845936E+00 Gb(Abramov) 0.3267080E-02 Vb(Abramov) -0.2112902E-02 Hb(Abramov) 0.1154177E-02 Ex_ueg -0.5076781E-03 Ec_ueg -0.1145785E-03 Delta_ex -0.6314705E-03 Delta_ec 0.1626303E-03 Delta_et -0.1002547E-02 Pxc 0.4430831E+01 Qxc -0.3882859E+01 3,+3 69 3 +1 1.417054 0.636191 0.856306 Rho 0.6909484E-02 |GRAD(Rho)| 0.5186033E-14 GRAD(Rho)x -0.3396524E-14 GRAD(Rho)y 0.2747771E-14 GRAD(Rho)z -0.2794338E-14 Laplacian 0.2798911E-01 (-1/4)Del**2(Rho)) -0.6997276E-02 Diamond 0.6168845E-03 Metallicity 0.6171161E+00 Ellipticity -0.1430012E+01 Gb(Abramov) 0.5384540E-02 Vb(Abramov) -0.3771803E-02 Hb(Abramov) 0.1612737E-02 Ex_ueg -0.9719545E-03 Ec_ueg -0.2299891E-03 Delta_ex -0.1247084E-02 Delta_ec 0.4593267E-03 Delta_et -0.2910220E-02 Pxc 0.4226090E+01 Qxc -0.2715026E+01 3,+1 70 3 -1 -0.000205 0.874369 3.242137 Rho 0.1399962E+00 |GRAD(Rho)| 0.1088877E-11 GRAD(Rho)x 0.9747968E-13 GRAD(Rho)y 0.1036398E-11 GRAD(Rho)z -0.3194224E-12 Laplacian 0.5766390E+00 (-1/4)Del**2(Rho)) -0.1441597E+00 Diamond 0.1084623E+01 Metallicity 0.4510620E+01 Ellipticity 0.1074419E-01 Gb(Abramov) 0.2044815E+00 Vb(Abramov) -0.2648032E+00 Hb(Abramov) -0.6032172E-01 Ex_ueg -0.5368752E-01 Ec_ueg -0.7806235E-02 Delta_ex -0.6098726E-01 Delta_ec 0.1505738E-01 Delta_et -0.1988155E+00 Pxc 0.6877519E+01 Qxc -0.4050323E+01 3,-1 71 3 +3 -1.123846 0.665584 1.469509 Rho 0.4133326E-02 |GRAD(Rho)| 0.2705491E-15 GRAD(Rho)x 0.2555100E-15 GRAD(Rho)y 0.8637894E-16 GRAD(Rho)z -0.2121648E-16 Laplacian 0.1658263E-01 (-1/4)Del**2(Rho)) -0.4145657E-02 Diamond 0.1477715E-03 Metallicity 0.4423771E+00 Ellipticity -0.7754066E+00 Gb(Abramov) 0.3069429E-02 Vb(Abramov) -0.1993200E-02 Hb(Abramov) 0.1076228E-02 Ex_ueg -0.4899119E-03 Ec_ueg -0.1098091E-03 Delta_ex -0.6136362E-03 Delta_ec 0.1980679E-03 Delta_et -0.1149002E-02 Pxc 0.4461487E+01 Qxc -0.3098111E+01 3,+3 72 3 +1 1.489747 1.388129 2.138713 Rho 0.5030047E-02 |GRAD(Rho)| 0.7357761E-18 GRAD(Rho)x -0.5020774E-18 GRAD(Rho)y -0.2614544E-18 GRAD(Rho)z -0.4700280E-18 Laplacian 0.2076261E-01 (-1/4)Del**2(Rho)) -0.5190653E-02 Diamond 0.5231009E-03 Metallicity 0.4900999E+00 Ellipticity -0.4627059E+01 Gb(Abramov) 0.3884425E-02 Vb(Abramov) -0.2578197E-02 Hb(Abramov) 0.1306228E-02 Ex_ueg -0.6365235E-03 Ec_ueg -0.1482061E-03 Delta_ex -0.1065732E-02 Delta_ec 0.7113621E-03 Delta_et -0.3846993E-02 Pxc 0.4294854E+01 Qxc -0.1498156E+01 3,+1 73 3 +1 1.445128 0.752074 -0.853456 Rho 0.7498241E-02 |GRAD(Rho)| 0.8915147E-17 GRAD(Rho)x 0.6059674E-17 GRAD(Rho)y -0.3994779E-17 GRAD(Rho)z -0.5177059E-17 Laplacian 0.3099256E-01 (-1/4)Del**2(Rho)) -0.7748140E-02 Diamond 0.7133691E-03 Metallicity 0.6386870E+00 Ellipticity -0.1371299E+01 Gb(Abramov) 0.5990199E-02 Vb(Abramov) -0.4232259E-02 Hb(Abramov) 0.1757941E-02 Ex_ueg -0.1083921E-02 Ec_ueg -0.2559573E-03 Delta_ex -0.1381495E-02 Delta_ec 0.4604490E-03 Delta_et -0.3017136E-02 Pxc 0.4234772E+01 Qxc -0.3000320E+01 3,+1 74 3 +3 1.132566 1.063347 1.639651 Rho 0.4031390E-02 |GRAD(Rho)| 0.3077942E-17 GRAD(Rho)x 0.1243452E-17 GRAD(Rho)y 0.2737709E-17 GRAD(Rho)z -0.6576541E-18 Laplacian 0.1671580E-01 (-1/4)Del**2(Rho)) -0.4178951E-02 Diamond 0.1204402E-03 Metallicity 0.4209630E+00 Ellipticity -0.2972283E+00 Gb(Abramov) 0.3079164E-02 Vb(Abramov) -0.1979378E-02 Hb(Abramov) 0.1099786E-02 Ex_ueg -0.4738688E-03 Ec_ueg -0.1054707E-03 Delta_ex -0.5856632E-03 Delta_ec 0.1475821E-03 Delta_et -0.9071182E-03 Pxc 0.4492896E+01 Qxc -0.3968390E+01 3,+3 75 3 +3 1.811216 0.245709 0.029392 Rho 0.4000598E-02 |GRAD(Rho)| 0.4536093E-14 GRAD(Rho)x 0.2368856E-14 GRAD(Rho)y -0.1660631E-14 GRAD(Rho)z 0.3493847E-14 Laplacian 0.1616608E-01 (-1/4)Del**2(Rho)) -0.4041519E-02 Diamond 0.1000960E-03 Metallicity 0.4297508E+00 Ellipticity -0.3703286E+00 Gb(Abramov) 0.2983821E-02 Vb(Abramov) -0.1926122E-02 Hb(Abramov) 0.1057699E-02 Ex_ueg -0.4690491E-03 Ec_ueg -0.1041613E-03 Delta_ex -0.5463254E-03 Delta_ec 0.1088503E-03 Delta_et -0.7175828E-03 Pxc 0.4503104E+01 Qxc -0.5019051E+01 3,+3 76 3 -1 1.104356 -0.056698 -3.481436 Rho 0.1529804E+00 |GRAD(Rho)| 0.5174594E-13 GRAD(Rho)x -0.3053349E-13 GRAD(Rho)y -0.4003642E-13 GRAD(Rho)z -0.1193453E-13 Laplacian 0.6020772E+00 (-1/4)Del**2(Rho)) -0.1505193E+00 Diamond 0.1247649E+01 Metallicity 0.5008262E+01 Ellipticity 0.4458035E-01 Gb(Abramov) 0.2259862E+00 Vb(Abramov) -0.3014532E+00 Hb(Abramov) -0.7546692E-01 Ex_ueg -0.6042722E-01 Ec_ueg -0.8634572E-02 Delta_ex -0.6495542E-01 Delta_ec 0.1517306E-01 Delta_et -0.2024630E+00 Pxc 0.6998288E+01 Qxc -0.4280970E+01 3,-1 77 3 +1 1.463968 -0.384833 -2.242200 Rho 0.2524610E-01 |GRAD(Rho)| 0.2027286E-14 GRAD(Rho)x 0.2012805E-14 GRAD(Rho)y 0.5791930E-17 GRAD(Rho)z -0.2418001E-15 Laplacian 0.9729274E-01 (-1/4)Del**2(Rho)) -0.2432318E-01 Diamond 0.1244066E-01 Metallicity 0.1538827E+01 Ellipticity -0.3279483E+01 Gb(Abramov) 0.2245365E-01 Vb(Abramov) -0.2058412E-01 Hb(Abramov) 0.1869531E-02 Ex_ueg -0.5469875E-02 Ec_ueg -0.1101113E-02 Delta_ex -0.6017959E-02 Delta_ec 0.1563534E-02 Delta_et -0.1385437E-01 Pxc 0.4967588E+01 Qxc -0.3848946E+01 3,+1 78 3 +1 1.716278 -0.675828 0.114299 Rho 0.6114188E-02 |GRAD(Rho)| 0.9317576E-17 GRAD(Rho)x -0.8964653E-17 GRAD(Rho)y 0.6915792E-18 GRAD(Rho)z -0.2444167E-17 Laplacian 0.2420341E-01 (-1/4)Del**2(Rho)) -0.6050852E-02 Diamond 0.4548288E-03 Metallicity 0.5820602E+00 Ellipticity -0.1413719E+01 Gb(Abramov) 0.4620895E-02 Vb(Abramov) -0.3190938E-02 Hb(Abramov) 0.1429957E-02 Ex_ueg -0.8257275E-03 Ec_ueg -0.1951715E-03 Delta_ex -0.1049351E-02 Delta_ec 0.4008128E-03 Delta_et -0.2454086E-02 Pxc 0.4230779E+01 Qxc -0.2618058E+01 3,+1 79 3 +1 2.128777 -2.071158 0.024835 Rho 0.4386292E-02 |GRAD(Rho)| 0.4716049E-13 GRAD(Rho)x -0.2015547E-13 GRAD(Rho)y -0.2973989E-13 GRAD(Rho)z -0.3055173E-13 Laplacian 0.1782288E-01 (-1/4)Del**2(Rho)) -0.4455721E-02 Diamond 0.3629659E-03 Metallicity 0.4544274E+00 Ellipticity -0.2952363E+01 Gb(Abramov) 0.3307947E-02 Vb(Abramov) -0.2160174E-02 Hb(Abramov) 0.1147773E-02 Ex_ueg -0.5302921E-03 Ec_ueg -0.1205988E-03 Delta_ex -0.8801670E-03 Delta_ec 0.5896530E-03 Delta_et -0.3067021E-02 Pxc 0.4397159E+01 Qxc -0.1492686E+01 3,+1 80 3 +1 1.373464 -0.424031 2.183113 Rho 0.1894870E-01 |GRAD(Rho)| 0.3109810E-16 GRAD(Rho)x -0.6186741E-17 GRAD(Rho)y -0.8747168E-17 GRAD(Rho)z -0.2919423E-16 Laplacian 0.7056104E-01 (-1/4)Del**2(Rho)) -0.1764026E-01 Diamond 0.6548085E-02 Metallicity 0.1315267E+01 Ellipticity -0.3629433E+01 Gb(Abramov) 0.1562711E-01 Vb(Abramov) -0.1361397E-01 Hb(Abramov) 0.2013146E-02 Ex_ueg -0.3730991E-02 Ec_ueg -0.7891538E-03 Delta_ex -0.4116505E-02 Delta_ec 0.1265691E-02 Delta_et -0.1039880E-01 Pxc 0.4727837E+01 Qxc -0.3252377E+01 3,+1 81 3 -1 0.998105 -0.087319 3.486366 Rho 0.9139227E-01 |GRAD(Rho)| 0.1007745E-12 GRAD(Rho)x 0.8996460E-13 GRAD(Rho)y 0.4342705E-13 GRAD(Rho)z 0.1326485E-13 Laplacian 0.3676716E+00 (-1/4)Del**2(Rho)) -0.9191789E-01 Diamond 0.4078607E+00 Metallicity 0.3475379E+01 Ellipticity 0.1747121E-02 Gb(Abramov) 0.1145202E+00 Vb(Abramov) -0.1371225E+00 Hb(Abramov) -0.2260229E-01 Ex_ueg -0.3040402E-01 Ec_ueg -0.4806646E-02 Delta_ex -0.3504693E-01 Delta_ec 0.1037500E-01 Delta_et -0.1264503E+00 Pxc 0.6325413E+01 Qxc -0.3378017E+01 3,-1 82 3 -1 1.871308 3.094694 -0.702081 Rho 0.1758076E+00 |GRAD(Rho)| 0.3010988E-13 GRAD(Rho)x 0.2156559E-14 GRAD(Rho)y -0.4286827E-14 GRAD(Rho)z -0.2972503E-13 Laplacian 0.6894216E+00 (-1/4)Del**2(Rho)) -0.1723554E+00 Diamond 0.1685121E+01 Metallicity 0.5514732E+01 Ellipticity 0.4546294E-01 Gb(Abramov) 0.2733192E+00 Vb(Abramov) -0.3742831E+00 Hb(Abramov) -0.1009638E+00 Ex_ueg -0.7273922E-01 Ec_ueg -0.1011556E-01 Delta_ex -0.7697118E-01 Delta_ec 0.1672086E-01 Delta_et -0.2268151E+00 Pxc 0.7190821E+01 Qxc -0.4603304E+01 3,-1 83 3 +1 1.478981 -1.412904 -2.889301 Rho 0.1258241E-01 |GRAD(Rho)| 0.1490063E-16 GRAD(Rho)x 0.1200611E-16 GRAD(Rho)y 0.4016167E-17 GRAD(Rho)z 0.7858275E-17 Laplacian 0.5898876E-01 (-1/4)Del**2(Rho)) -0.1474719E-01 Diamond 0.2137486E-02 Metallicity 0.7951526E+00 Ellipticity -0.1192945E+01 Gb(Abramov) 0.1178584E-01 Vb(Abramov) -0.8824485E-02 Hb(Abramov) 0.2961352E-02 Ex_ueg -0.2161409E-02 Ec_ueg -0.4865216E-03 Delta_ex -0.2831660E-02 Delta_ec 0.5792021E-03 Delta_et -0.4533149E-02 Pxc 0.4442576E+01 Qxc -0.4888897E+01 3,+1 84 3 +3 1.684655 -1.608008 0.084065 Rho 0.3685507E-02 |GRAD(Rho)| 0.1918844E-14 GRAD(Rho)x -0.5486232E-15 GRAD(Rho)y 0.1375701E-14 GRAD(Rho)z 0.1220008E-14 Laplacian 0.1533628E-01 (-1/4)Del**2(Rho)) -0.3834071E-02 Diamond 0.1032149E-03 Metallicity 0.3951134E+00 Ellipticity -0.1385662E+00 Gb(Abramov) 0.2808529E-02 Vb(Abramov) -0.1782988E-02 Hb(Abramov) 0.1025542E-02 Ex_ueg -0.4204503E-03 Ec_ueg -0.9079094E-04 Delta_ex -0.5327398E-03 Delta_ec 0.1487465E-03 Delta_et -0.8750562E-03 Pxc 0.4630973E+01 Qxc -0.3581528E+01 3,+3 85 3 +1 1.435165 -1.421669 2.851500 Rho 0.1183856E-01 |GRAD(Rho)| 0.1852356E-16 GRAD(Rho)x -0.1364700E-16 GRAD(Rho)y -0.1208177E-16 GRAD(Rho)z 0.3303372E-17 Laplacian 0.5490231E-01 (-1/4)Del**2(Rho)) -0.1372558E-01 Diamond 0.1920503E-02 Metallicity 0.7718287E+00 Ellipticity -0.1226194E+01 Gb(Abramov) 0.1091602E-01 Vb(Abramov) -0.8106458E-02 Hb(Abramov) 0.2809560E-02 Ex_ueg -0.1992739E-02 Ec_ueg -0.4521217E-03 Delta_ex -0.2618759E-02 Delta_ec 0.5870953E-03 Delta_et -0.4484829E-02 Pxc 0.4407528E+01 Qxc -0.4460535E+01 3,+1 86 3 -1 1.496750 -2.684958 -2.037364 Rho 0.8608092E-01 |GRAD(Rho)| 0.2537291E-15 GRAD(Rho)x -0.1009900E-15 GRAD(Rho)y -0.2308656E-15 GRAD(Rho)z -0.2967411E-16 Laplacian 0.3475622E+00 (-1/4)Del**2(Rho)) -0.8689054E-01 Diamond 0.3573793E+00 Metallicity 0.3327302E+01 Ellipticity 0.3887878E-02 Gb(Abramov) 0.1061122E+00 Vb(Abramov) -0.1253339E+00 Hb(Abramov) -0.1922166E-01 Ex_ueg -0.2807120E-01 Ec_ueg -0.4489906E-02 Delta_ex -0.3265178E-01 Delta_ec 0.9887127E-02 Delta_et -0.1189435E+00 Pxc 0.6252068E+01 Qxc -0.3302453E+01 3,-1 87 3 -1 0.344023 -0.357487 -2.378482 Rho 0.4700199E-01 |GRAD(Rho)| 0.1960024E-16 GRAD(Rho)x -0.4337656E-17 GRAD(Rho)y 0.1638278E-16 GRAD(Rho)z -0.9846758E-17 Laplacian 0.1797967E+00 (-1/4)Del**2(Rho)) -0.4494917E-01 Diamond 0.8211329E-01 Metallicity 0.2346165E+01 Ellipticity 0.2335560E-01 Gb(Abramov) 0.4754247E-01 Vb(Abramov) -0.5013578E-01 Hb(Abramov) -0.2593305E-02 Ex_ueg -0.1252776E-01 Ec_ueg -0.2249837E-02 Delta_ex -0.1449266E-01 Delta_ec 0.5219109E-02 Delta_et -0.5411604E-01 Pxc 0.5568295E+01 Qxc -0.2776846E+01 3,-1 88 3 +1 -1.372089 -1.477674 -1.591335 Rho 0.5027355E-02 |GRAD(Rho)| 0.1107922E-16 GRAD(Rho)x 0.8915022E-19 GRAD(Rho)y -0.1106903E-16 GRAD(Rho)z 0.4667152E-18 Laplacian 0.1973809E-01 (-1/4)Del**2(Rho)) -0.4934522E-02 Diamond 0.3212113E-03 Metallicity 0.5150792E+00 Ellipticity -0.1374266E+01 Gb(Abramov) 0.3713293E-02 Vb(Abramov) -0.2492064E-02 Hb(Abramov) 0.1221229E-02 Ex_ueg -0.6360694E-03 Ec_ueg -0.1480902E-03 Delta_ex -0.8510577E-03 Delta_ec 0.3870516E-03 Delta_et -0.2200208E-02 Pxc 0.4295148E+01 Qxc -0.2198822E+01 3,+1 89 3 +3 1.325222 -1.303337 -2.605344 Rho 0.1210720E-01 |GRAD(Rho)| 0.3436010E-16 GRAD(Rho)x -0.1764117E-16 GRAD(Rho)y 0.2896785E-16 GRAD(Rho)z 0.5501733E-17 Laplacian 0.5511066E-01 (-1/4)Del**2(Rho)) -0.1377767E-01 Diamond 0.1184630E-02 Metallicity 0.7982095E+00 Ellipticity -0.5652919E+00 Gb(Abramov) 0.1101802E-01 Vb(Abramov) -0.8258377E-02 Hb(Abramov) 0.2759645E-02 Ex_ueg -0.2053257E-02 Ec_ueg -0.4645199E-03 Delta_ex -0.2415229E-02 Delta_ec 0.1795924E-03 Delta_et -0.1759319E-02 Pxc 0.4420170E+01 Qxc -0.1344839E+02 3,+3 90 3 -1 1.799338 -0.627637 -1.534945 Rho 0.3902159E-01 |GRAD(Rho)| 0.5848106E-16 GRAD(Rho)x 0.5573011E-16 GRAD(Rho)y -0.1149323E-16 GRAD(Rho)z -0.1349424E-16 Laplacian 0.1496239E+00 (-1/4)Del**2(Rho)) -0.3740597E-01 Diamond 0.5325048E-01 Metallicity 0.2067540E+01 Ellipticity 0.2443470E-01 Gb(Abramov) 0.3782704E-01 Vb(Abramov) -0.3824810E-01 Hb(Abramov) -0.4210649E-03 Ex_ueg -0.9775186E-02 Ec_ueg -0.1817682E-02 Delta_ex -0.1152345E-01 Delta_ec 0.4369974E-02 Delta_et -0.4313112E-01 Pxc 0.5377829E+01 Qxc -0.2636960E+01 3,-1 91 3 +1 3.032846 0.533794 -0.046269 Rho 0.1238466E-01 |GRAD(Rho)| 0.2553294E-13 GRAD(Rho)x -0.4328075E-15 GRAD(Rho)y 0.1429957E-13 GRAD(Rho)z 0.2114867E-13 Laplacian 0.6125343E-01 (-1/4)Del**2(Rho)) -0.1531336E-01 Diamond 0.2519027E-02 Metallicity 0.7458014E+00 Ellipticity -0.1264370E+01 Gb(Abramov) 0.1211236E-01 Vb(Abramov) -0.8911359E-02 Hb(Abramov) 0.3200998E-02 Ex_ueg -0.2116236E-02 Ec_ueg -0.4773554E-03 Delta_ex -0.3023887E-02 Delta_ec 0.7733164E-03 Delta_et -0.5859867E-02 Pxc 0.4433249E+01 Qxc -0.3910284E+01 3,+1 92 3 -1 2.693051 1.894435 -0.749104 Rho 0.1569990E+00 |GRAD(Rho)| 0.7436119E-14 GRAD(Rho)x -0.1106489E-14 GRAD(Rho)y 0.5585051E-14 GRAD(Rho)z 0.4783175E-14 Laplacian 0.6505789E+00 (-1/4)Del**2(Rho)) -0.1626447E+00 Diamond 0.1395110E+01 Metallicity 0.4839586E+01 Ellipticity 0.2275132E-01 Gb(Abramov) 0.2396187E+00 Vb(Abramov) -0.3165926E+00 Hb(Abramov) -0.7697395E-01 Ex_ueg -0.6255294E-01 Ec_ueg -0.8893049E-02 Delta_ex -0.7067936E-01 Delta_ec 0.1636109E-01 Delta_et -0.2192473E+00 Pxc 0.7033914E+01 Qxc -0.4319966E+01 3,-1 93 3 +1 -1.586677 1.053734 0.798896 Rho 0.5825767E-02 |GRAD(Rho)| 0.4067237E-16 GRAD(Rho)x 0.3253072E-16 GRAD(Rho)y -0.7026985E-17 GRAD(Rho)z -0.2337980E-16 Laplacian 0.2277596E-01 (-1/4)Del**2(Rho)) -0.5693989E-02 Diamond 0.6259051E-03 Metallicity 0.5706788E+00 Ellipticity -0.4179122E+01 Gb(Abramov) 0.4337566E-02 Vb(Abramov) -0.2981143E-02 Hb(Abramov) 0.1356423E-02 Ex_ueg -0.7742049E-03 Ec_ueg -0.1826202E-03 Delta_ex -0.1146649E-02 Delta_ec 0.6814215E-03 Delta_et -0.3888420E-02 Pxc 0.4239426E+01 Qxc -0.1682731E+01 3,+1 94 3 +3 1.251940 -1.250171 2.519490 Rho 0.1105444E-01 |GRAD(Rho)| 0.2873754E-16 GRAD(Rho)x -0.5017605E-17 GRAD(Rho)y 0.1840609E-16 GRAD(Rho)z 0.2149153E-16 Laplacian 0.4948926E-01 (-1/4)Del**2(Rho)) -0.1237231E-01 Diamond 0.9003819E-03 Metallicity 0.7638302E+00 Ellipticity -0.4290206E+00 Gb(Abramov) 0.9823267E-02 Vb(Abramov) -0.7274220E-02 Hb(Abramov) 0.2549047E-02 Ex_ueg -0.1818726E-02 Ec_ueg -0.4160965E-03 Delta_ex -0.2099656E-02 Delta_ec 0.1406214E-03 Delta_et -0.1435040E-02 Pxc 0.4370925E+01 Qxc -0.1493127E+02 3,+3 95 3 -1 2.961946 0.387943 -1.576784 Rho 0.1239603E+00 |GRAD(Rho)| 0.5063280E-15 GRAD(Rho)x -0.2216516E-16 GRAD(Rho)y 0.4899645E-15 GRAD(Rho)z 0.1257437E-15 Laplacian 0.5205036E+00 (-1/4)Del**2(Rho)) -0.1301259E+00 Diamond 0.8441575E+00 Metallicity 0.4080005E+01 Ellipticity 0.8895448E-02 Gb(Abramov) 0.1752363E+00 Vb(Abramov) -0.2203467E+00 Hb(Abramov) -0.4511041E-01 Ex_ueg -0.4564873E-01 Ec_ueg -0.6798088E-02 Delta_ex -0.5343790E-01 Delta_ec 0.1395173E-01 Delta_et -0.1805383E+00 Pxc 0.6714937E+01 Qxc -0.3830199E+01 3,-1 96 3 -1 -1.867304 1.107158 -1.021210 Rho 0.7332705E-02 |GRAD(Rho)| 0.1114044E-14 GRAD(Rho)x 0.7664547E-15 GRAD(Rho)y -0.5898873E-15 GRAD(Rho)z 0.5528779E-15 Laplacian 0.2860049E-01 (-1/4)Del**2(Rho)) -0.7150123E-02 Diamond 0.1349931E-02 Metallicity 0.6668273E+00 Ellipticity 0.1438099E+00 Gb(Abramov) 0.5561398E-02 Vb(Abramov) -0.3972673E-02 Hb(Abramov) 0.1588725E-02 Ex_ueg -0.1052133E-02 Ec_ueg -0.2486397E-03 Delta_ex -0.1664253E-02 Delta_ec 0.1132650E-02 Delta_et -0.6809759E-02 Pxc 0.4231557E+01 Qxc -0.1469344E+01 3,-1 97 3 -1 -1.700832 1.005806 0.811469 Rho 0.5834019E-02 |GRAD(Rho)| 0.1393003E-16 GRAD(Rho)x 0.4564131E-17 GRAD(Rho)y -0.8619407E-17 GRAD(Rho)z -0.9945861E-17 Laplacian 0.2247295E-01 (-1/4)Del**2(Rho)) -0.5618239E-02 Diamond 0.7016793E-03 Metallicity 0.5797392E+00 Ellipticity 0.2514843E+01 Gb(Abramov) 0.4288345E-02 Vb(Abramov) -0.2958451E-02 Hb(Abramov) 0.1329894E-02 Ex_ueg -0.7756673E-03 Ec_ueg -0.1829787E-03 Delta_ex -0.1194400E-02 Delta_ec 0.7842729E-03 Delta_et -0.4430546E-02 Pxc 0.4239112E+01 Qxc -0.1522940E+01 3,-1 98 3 -1 -2.008811 0.867050 2.499558 Rho 0.4372356E-01 |GRAD(Rho)| 0.1459362E-15 GRAD(Rho)x 0.5751764E-17 GRAD(Rho)y -0.1402410E-15 GRAD(Rho)z 0.3995948E-16 Laplacian 0.1222044E+00 (-1/4)Del**2(Rho)) -0.3055110E-01 Diamond 0.7844950E-01 Metallicity 0.3059982E+01 Ellipticity 0.1410194E-01 Gb(Abramov) 0.3594837E-01 Vb(Abramov) -0.4134564E-01 Hb(Abramov) -0.5397267E-02 Ex_ueg -0.1137642E-01 Ec_ueg -0.2070991E-02 Delta_ex -0.1110920E-01 Delta_ec 0.6113449E-02 Delta_et -0.6266239E-01 Pxc 0.5493226E+01 Qxc -0.1817174E+01 3,-1 99 3 -1 -2.125850 1.536613 2.089595 Rho 0.3111309E+00 |GRAD(Rho)| 0.8224546E-13 GRAD(Rho)x 0.4989824E-13 GRAD(Rho)y -0.1320319E-13 GRAD(Rho)z -0.6403247E-13 Laplacian -0.1544990E+01 (-1/4)Del**2(Rho)) 0.3862475E+00 Diamond 0.5313819E+01 Metallicity -0.6371761E+01 Ellipticity 0.5352778E-02 Gb(Abramov) 0.1526811E+00 Vb(Abramov) -0.6916097E+00 Hb(Abramov) -0.5389286E+00 Ex_ueg -0.1557074E+00 Ec_ueg -0.1949498E-01 Delta_ex 0.1518119E+00 Delta_ec 0.5453489E-01 Delta_et -0.1277415E+01 Pxc 0.7987050E+01 Qxc 0.2783757E+01 3,-1 100 3 -1 -1.303526 -1.682966 -1.000449 Rho 0.5959104E-02 |GRAD(Rho)| 0.1379786E-14 GRAD(Rho)x 0.5624299E-15 GRAD(Rho)y 0.1229905E-14 GRAD(Rho)z 0.2735230E-15 Laplacian 0.2248140E-01 (-1/4)Del**2(Rho)) -0.5620350E-02 Diamond 0.7706437E-03 Metallicity 0.6003779E+00 Ellipticity 0.7474226E+00 Gb(Abramov) 0.4309289E-02 Vb(Abramov) -0.2998228E-02 Hb(Abramov) 0.1311061E-02 Ex_ueg -0.7979206E-03 Ec_ueg -0.1884176E-03 Delta_ex -0.1235249E-02 Delta_ec 0.8480519E-03 Delta_et -0.4799065E-02 Pxc 0.4234851E+01 Qxc -0.1456572E+01 3,-1 101 3 +1 -0.963311 -3.163571 -0.070058 Rho 0.6270519E-02 |GRAD(Rho)| 0.4625140E-17 GRAD(Rho)x -0.1222290E-17 GRAD(Rho)y 0.2241726E-18 GRAD(Rho)z -0.4455073E-17 Laplacian 0.2714068E-01 (-1/4)Del**2(Rho)) -0.6785169E-02 Diamond 0.8434317E-03 Metallicity 0.5413752E+00 Ellipticity -0.2619891E+01 Gb(Abramov) 0.5135666E-02 Vb(Abramov) -0.3486164E-02 Hb(Abramov) 0.1649503E-02 Ex_ueg -0.8539971E-03 Ec_ueg -0.2019916E-03 Delta_ex -0.1400507E-02 Delta_ec 0.8364133E-03 Delta_et -0.4868402E-02 Pxc 0.4227884E+01 Qxc -0.1674420E+01 3,+1 102 3 -1 -1.174078 -3.166655 -0.072274 Rho 0.6327768E-02 |GRAD(Rho)| 0.2433971E-16 GRAD(Rho)x 0.3666300E-18 GRAD(Rho)y -0.1284299E-17 GRAD(Rho)z -0.2430304E-16 Laplacian 0.2555656E-01 (-1/4)Del**2(Rho)) -0.6389140E-02 Diamond 0.1026200E-02 Metallicity 0.5837072E+00 Ellipticity 0.1247589E+01 Gb(Abramov) 0.4880991E-02 Vb(Abramov) -0.3372842E-02 Hb(Abramov) 0.1508149E-02 Ex_ueg -0.8644088E-03 Ec_ueg -0.2044921E-03 Delta_ex -0.1471912E-02 Delta_ec 0.1056719E-02 Delta_et -0.6059930E-02 Pxc 0.4227101E+01 Qxc -0.1392908E+01 3,-1 103 3 -1 -0.533570 -3.109884 1.630403 Rho 0.2296513E+00 |GRAD(Rho)| 0.4322455E-15 GRAD(Rho)x 0.4302114E-15 GRAD(Rho)y 0.1924459E-16 GRAD(Rho)z 0.3720169E-16 Laplacian 0.8894216E+00 (-1/4)Del**2(Rho)) -0.2223554E+00 Diamond 0.2950293E+01 Metallicity 0.6672475E+01 Ellipticity 0.1307447E-01 Gb(Abramov) 0.3955138E+00 Vb(Abramov) -0.5686721E+00 Hb(Abramov) -0.1731584E+00 Ex_ueg -0.1038668E+00 Ec_ueg -0.1372667E-01 Delta_ex -0.1060479E+00 Delta_ec 0.1957292E-01 Delta_et -0.2692616E+00 Pxc 0.7566790E+01 Qxc -0.5418094E+01 3,-1 104 3 -1 -0.856481 -0.158043 -3.180935 Rho 0.1529283E+00 |GRAD(Rho)| 0.1981052E-15 GRAD(Rho)x -0.1931506E-15 GRAD(Rho)y 0.1881938E-16 GRAD(Rho)z 0.3980377E-16 Laplacian 0.5835074E+00 (-1/4)Del**2(Rho)) -0.1458769E+00 Diamond 0.1225008E+01 Metallicity 0.5164715E+01 Ellipticity 0.9383809E-01 Gb(Abramov) 0.2228200E+00 Vb(Abramov) -0.2997631E+00 Hb(Abramov) -0.7694312E-01 Ex_ueg -0.6039979E-01 Ec_ueg -0.8631228E-02 Delta_ex -0.6310529E-01 Delta_ec 0.1498945E-01 Delta_et -0.2006766E+00 Pxc 0.6997821E+01 Qxc -0.4209979E+01 3,-1 105 3 +1 -1.404064 1.279935 -0.901607 Rho 0.6620858E-02 |GRAD(Rho)| 0.6806795E-15 GRAD(Rho)x 0.6090031E-15 GRAD(Rho)y 0.8986681E-16 GRAD(Rho)z 0.2904544E-15 Laplacian 0.2655000E-01 (-1/4)Del**2(Rho)) -0.6637500E-02 Diamond 0.6565672E-03 Metallicity 0.6059067E+00 Ellipticity -0.1672863E+01 Gb(Abramov) 0.5095284E-02 Vb(Abramov) -0.3553068E-02 Hb(Abramov) 0.1542216E-02 Ex_ueg -0.9182002E-03 Ec_ueg -0.2173182E-03 Delta_ex -0.1237504E-02 Delta_ec 0.5546208E-03 Delta_et -0.3385304E-02 Pxc 0.4225142E+01 Qxc -0.2231261E+01 3,+1 106 3 +1 -0.762098 -0.322708 -1.695756 Rho 0.1464160E-01 |GRAD(Rho)| 0.9415039E-16 GRAD(Rho)x -0.3332566E-16 GRAD(Rho)y 0.1455033E-16 GRAD(Rho)z 0.8684459E-16 Laplacian 0.6490156E-01 (-1/4)Del**2(Rho)) -0.1622539E-01 Diamond 0.3794265E-02 Metallicity 0.9304051E+00 Ellipticity -0.1609606E+01 Gb(Abramov) 0.1333296E-01 Vb(Abramov) -0.1044052E-01 Hb(Abramov) 0.2892432E-02 Ex_ueg -0.2645471E-02 Ec_ueg -0.5828474E-03 Delta_ex -0.3446868E-02 Delta_ec 0.9913745E-03 Delta_et -0.7699629E-02 Pxc 0.4538874E+01 Qxc -0.3476858E+01 3,+1 107 3 -1 -0.790927 -0.121292 -0.145141 Rho 0.2223324E+00 |GRAD(Rho)| 0.6768580E-15 GRAD(Rho)x -0.6415869E-15 GRAD(Rho)y -0.2024746E-15 GRAD(Rho)z -0.7420931E-16 Laplacian 0.9415920E+00 (-1/4)Del**2(Rho)) -0.2353980E+00 Diamond 0.3198220E+01 Metallicity 0.5971566E+01 Ellipticity 0.2591066E-01 Gb(Abramov) 0.3912144E+00 Vb(Abramov) -0.5470309E+00 Hb(Abramov) -0.1558164E+00 Ex_ueg -0.9947684E-01 Ec_ueg -0.1322636E-01 Delta_ex -0.1124716E+00 Delta_ec 0.2296132E-01 Delta_et -0.3237577E+00 Pxc 0.7521106E+01 Qxc -0.4898306E+01 3,-1 108 3 -1 -1.043174 -0.087293 3.318362 Rho 0.2134221E+00 |GRAD(Rho)| 0.5110033E-11 GRAD(Rho)x -0.4931927E-11 GRAD(Rho)y 0.4671982E-13 GRAD(Rho)z -0.1336548E-11 Laplacian 0.8214509E+00 (-1/4)Del**2(Rho)) -0.2053627E+00 Diamond 0.2507898E+01 Metallicity 0.6393868E+01 Ellipticity 0.1762447E-01 Gb(Abramov) 0.3557522E+00 Vb(Abramov) -0.5061417E+00 Hb(Abramov) -0.1503895E+00 Ex_ueg -0.9419708E-01 Ec_ueg -0.1262124E-01 Delta_ex -0.9617980E-01 Delta_ec 0.1860786E-01 Delta_et -0.2556428E+00 Pxc 0.7463379E+01 Qxc -0.5168772E+01 3,-1 109 3 -1 0.142476 -0.379627 2.367562 Rho 0.4210053E-01 |GRAD(Rho)| 0.2798111E-12 GRAD(Rho)x 0.4157286E-13 GRAD(Rho)y -0.5661819E-13 GRAD(Rho)z -0.2708512E-12 Laplacian 0.1615625E+00 (-1/4)Del**2(Rho)) -0.4039063E-01 Diamond 0.6441979E-01 Metallicity 0.2173127E+01 Ellipticity 0.1848108E-01 Gb(Abramov) 0.4155608E-01 Vb(Abramov) -0.4272154E-01 Hb(Abramov) -0.1165451E-02 Ex_ueg -0.1081687E-01 Ec_ueg -0.1983114E-02 Delta_ex -0.1271649E-01 Delta_ec 0.4780477E-02 Delta_et -0.4816164E-01 Pxc 0.5454490E+01 Qxc -0.2660088E+01 3,-1 110 3 +3 -1.059099 0.996819 -1.597363 Rho 0.4778498E-02 |GRAD(Rho)| 0.5847002E-17 GRAD(Rho)x 0.1714395E-17 GRAD(Rho)y -0.5404070E-17 GRAD(Rho)z 0.1429792E-17 Laplacian 0.1956273E-01 (-1/4)Del**2(Rho)) -0.4890681E-02 Diamond 0.1581162E-03 Metallicity 0.4775324E+00 Ellipticity -0.4248280E+00 Gb(Abramov) 0.3649697E-02 Vb(Abramov) -0.2408713E-02 Hb(Abramov) 0.1240984E-02 Ex_ueg -0.5944385E-03 Ec_ueg -0.1373932E-03 Delta_ex -0.6967592E-03 Delta_ec 0.1385184E-03 Delta_et -0.9360666E-03 Pxc 0.4326551E+01 Qxc -0.5030083E+01 3,+3 111 3 +1 -1.232449 1.265491 2.612801 Rho 0.1494039E-01 |GRAD(Rho)| 0.2175558E-14 GRAD(Rho)x -0.4623625E-15 GRAD(Rho)y -0.1941265E-14 GRAD(Rho)z 0.8664671E-15 Laplacian 0.6887109E-01 (-1/4)Del**2(Rho)) -0.1721777E-01 Diamond 0.3771102E-02 Metallicity 0.9068026E+00 Ellipticity -0.1442365E+01 Gb(Abramov) 0.1408070E-01 Vb(Abramov) -0.1094363E-01 Hb(Abramov) 0.3137071E-02 Ex_ueg -0.2717697E-02 Ec_ueg -0.5969540E-03 Delta_ex -0.3597587E-02 Delta_ec 0.9101194E-03 Delta_et -0.7185031E-02 Pxc 0.4552607E+01 Qxc -0.3952874E+01 3,+1 112 3 +1 -1.506967 1.252588 -2.380614 Rho 0.7667811E-02 |GRAD(Rho)| 0.9978287E-17 GRAD(Rho)x 0.8981937E-17 GRAD(Rho)y 0.1558541E-18 GRAD(Rho)z -0.4343585E-17 Laplacian 0.3412626E-01 (-1/4)Del**2(Rho)) -0.8531564E-02 Diamond 0.1016129E-02 Metallicity 0.6020652E+00 Ellipticity -0.1554780E+01 Gb(Abramov) 0.6543802E-02 Vb(Abramov) -0.4556041E-02 Hb(Abramov) 0.1987762E-02 Ex_ueg -0.1116727E-02 Ec_ueg -0.2634664E-03 Delta_ex -0.1637994E-02 Delta_ec 0.7004790E-03 Delta_et -0.4463252E-02 Pxc 0.4238592E+01 Qxc -0.2338391E+01 3,+1 113 3 -1 -0.136112 0.008757 4.514732 Rho 0.2303127E+00 |GRAD(Rho)| 0.4792580E-14 GRAD(Rho)x 0.6053185E-15 GRAD(Rho)y -0.4484504E-14 GRAD(Rho)z -0.1578490E-14 Laplacian 0.8481948E+00 (-1/4)Del**2(Rho)) -0.2120487E+00 Diamond 0.2855872E+01 Metallicity 0.7030410E+01 Ellipticity 0.1173720E-01 Gb(Abramov) 0.3898307E+00 Vb(Abramov) -0.5676127E+00 Hb(Abramov) -0.1777820E+00 Ex_ueg -0.1042659E+00 Ec_ueg -0.1377203E-01 Delta_ex -0.1013914E+00 Delta_ec 0.1897704E-01 Delta_et -0.2624863E+00 Pxc 0.7570844E+01 Qxc -0.5342845E+01 3,-1 114 3 +1 0.560951 -1.730474 -0.028198 Rho 0.8728879E-02 |GRAD(Rho)| 0.7065794E-17 GRAD(Rho)x -0.2015303E-17 GRAD(Rho)y 0.6621309E-17 GRAD(Rho)z 0.1422062E-17 Laplacian 0.3733898E-01 (-1/4)Del**2(Rho)) -0.9334745E-02 Diamond 0.1057702E-02 Metallicity 0.6829383E+00 Ellipticity -0.1391013E+01 Gb(Abramov) 0.7285672E-02 Vb(Abramov) -0.5236600E-02 Hb(Abramov) 0.2049073E-02 Ex_ueg -0.1327383E-02 Ec_ueg -0.3107502E-03 Delta_ex -0.1729015E-02 Delta_ec 0.5553879E-03 Delta_et -0.3786357E-02 Pxc 0.4271544E+01 Qxc -0.3113166E+01 3,+1 115 3 -1 -0.066196 0.058860 -4.483771 Rho 0.2361744E+00 |GRAD(Rho)| 0.5557196E-15 GRAD(Rho)x 0.1795439E-15 GRAD(Rho)y -0.4737963E-16 GRAD(Rho)z 0.5237781E-15 Laplacian 0.8780452E+00 (-1/4)Del**2(Rho)) -0.2195113E+00 Diamond 0.3033216E+01 Metallicity 0.7081922E+01 Ellipticity 0.1754097E-02 Gb(Abramov) 0.4054345E+00 Vb(Abramov) -0.5913577E+00 Hb(Abramov) -0.1859232E+00 Ex_ueg -0.1078191E+00 Ec_ueg -0.1417506E-01 Delta_ex -0.1055728E+00 Delta_ec 0.1936571E-01 Delta_et -0.2675595E+00 Pxc 0.7606249E+01 Qxc -0.5451529E+01 3,-1 116 3 -1 -0.031879 0.597109 -0.032726 Rho 0.1885349E+00 |GRAD(Rho)| 0.3274570E-11 GRAD(Rho)x -0.5895111E-12 GRAD(Rho)y -0.3220832E-11 GRAD(Rho)z -0.3911475E-13 Laplacian 0.5752074E+00 (-1/4)Del**2(Rho)) -0.1438019E+00 Diamond 0.1697552E+01 Metallicity 0.7426341E+01 Ellipticity 0.7120729E-02 Gb(Abramov) 0.2738548E+00 Vb(Abramov) -0.4039078E+00 Hb(Abramov) -0.1300530E+00 Ex_ueg -0.7984371E-01 Ec_ueg -0.1095446E-01 Delta_ex -0.6659919E-01 Delta_ec 0.1590385E-01 Delta_et -0.2243224E+00 Pxc 0.7288697E+01 Qxc -0.4187614E+01 3,-1 117 3 -1 0.063951 0.907134 -3.217445 Rho 0.1319710E+00 |GRAD(Rho)| 0.1667204E-15 GRAD(Rho)x -0.1635197E-17 GRAD(Rho)y -0.1534824E-15 GRAD(Rho)z -0.6508601E-16 Laplacian 0.5480849E+00 (-1/4)Del**2(Rho)) -0.1370212E+00 Diamond 0.9535443E+00 Metallicity 0.4300935E+01 Ellipticity 0.1200266E-01 Gb(Abramov) 0.1895674E+00 Vb(Abramov) -0.2421135E+00 Hb(Abramov) -0.5254615E-01 Ex_ueg -0.4962377E-01 Ec_ueg -0.7299592E-02 Delta_ex -0.5706499E-01 Delta_ec 0.1437310E-01 Delta_et -0.1877492E+00 Pxc 0.6798157E+01 Qxc -0.3970262E+01 3,-1 118 3 +1 0.403168 -1.463590 -2.299954 Rho 0.2459075E-01 |GRAD(Rho)| 0.2329565E-16 GRAD(Rho)x 0.1095532E-17 GRAD(Rho)y -0.4779658E-17 GRAD(Rho)z -0.2277371E-16 Laplacian 0.9161470E-01 (-1/4)Del**2(Rho)) -0.2290368E-01 Diamond 0.1118099E-01 Metallicity 0.1564112E+01 Ellipticity -0.3392492E+01 Gb(Abramov) 0.2123977E-01 Vb(Abramov) -0.1957586E-01 Hb(Abramov) 0.1663908E-02 Ex_ueg -0.5281381E-02 Ec_ueg -0.1068131E-02 Delta_ex -0.5613820E-02 Delta_ec 0.1449172E-02 Delta_et -0.1276619E-01 Pxc 0.4944505E+01 Qxc -0.3873811E+01 3,+1 119 3 -1 1.676948 -0.633876 1.601702 Rho 0.2311168E-01 |GRAD(Rho)| 0.2483453E-16 GRAD(Rho)x -0.2446660E-16 GRAD(Rho)y 0.2763362E-17 GRAD(Rho)z -0.3240880E-17 Laplacian 0.8955295E-01 (-1/4)Del**2(Rho)) -0.2238824E-01 Diamond 0.1518948E-01 Metallicity 0.1442954E+01 Ellipticity 0.1392506E+00 Gb(Abramov) 0.2030969E-01 Vb(Abramov) -0.1823114E-01 Hb(Abramov) 0.2078548E-02 Ex_ueg -0.4862135E-02 Ec_ueg -0.9941180E-03 Delta_ex -0.6018390E-02 Delta_ec 0.2526625E-02 Delta_et -0.2158903E-01 Pxc 0.4890903E+01 Qxc -0.2381988E+01 3,-1 120 3 +1 1.320269 -1.697968 -1.714014 Rho 0.2296249E-01 |GRAD(Rho)| 0.2002583E-14 GRAD(Rho)x -0.1585472E-14 GRAD(Rho)y -0.1223072E-14 GRAD(Rho)z 0.2671055E-16 Laplacian 0.8612717E-01 (-1/4)Del**2(Rho)) -0.2153179E-01 Diamond 0.9191039E-02 Metallicity 0.1484242E+01 Ellipticity -0.2657589E+01 Gb(Abramov) 0.1968093E-01 Vb(Abramov) -0.1783006E-01 Hb(Abramov) 0.1850866E-02 Ex_ueg -0.4820333E-02 Ec_ueg -0.9866862E-03 Delta_ex -0.5135782E-02 Delta_ec 0.1281303E-02 Delta_et -0.1112815E-01 Pxc 0.4885377E+01 Qxc -0.4008251E+01 3,+1 121 3 +1 0.248086 -1.318666 2.337741 Rho 0.2683777E-01 |GRAD(Rho)| 0.6346622E-16 GRAD(Rho)x -0.1067435E-16 GRAD(Rho)y -0.3283777E-16 GRAD(Rho)z 0.5325129E-16 Laplacian 0.1099629E+00 (-1/4)Del**2(Rho)) -0.2749072E-01 Diamond 0.1738973E-01 Metallicity 0.1507571E+01 Ellipticity -0.7420397E+01 Gb(Abramov) 0.2523451E-01 Vb(Abramov) -0.2297831E-01 Hb(Abramov) 0.2256206E-02 Ex_ueg -0.5934447E-02 Ec_ueg -0.1181681E-02 Delta_ex -0.7121586E-02 Delta_ec 0.2136260E-02 Delta_et -0.1913665E-01 Pxc 0.5022039E+01 Qxc -0.3333670E+01 3,+1 122 3 -1 2.680446 -1.489220 1.983721 Rho 0.1691907E+00 |GRAD(Rho)| 0.7866265E-16 GRAD(Rho)x -0.4315125E-16 GRAD(Rho)y 0.6348004E-16 GRAD(Rho)z 0.1720663E-16 Laplacian 0.6501849E+00 (-1/4)Del**2(Rho)) -0.1625462E+00 Diamond 0.1509232E+01 Metallicity 0.5485343E+01 Ellipticity 0.4614123E-01 Gb(Abramov) 0.2569678E+00 Vb(Abramov) -0.3513893E+00 Hb(Abramov) -0.9442156E-01 Ex_ueg -0.6911204E-01 Ec_ueg -0.9683110E-02 Delta_ex -0.7182471E-01 Delta_ec 0.1579974E-01 Delta_et -0.2130486E+00 Pxc 0.7137381E+01 Qxc -0.4545943E+01 3,-1 123 3 -1 3.908824 -0.643372 -2.217503 Rho 0.2333009E+00 |GRAD(Rho)| 0.3358306E-13 GRAD(Rho)x 0.2070870E-13 GRAD(Rho)y 0.2643807E-13 GRAD(Rho)z -0.1338990E-16 Laplacian 0.8522558E+00 (-1/4)Del**2(Rho)) -0.2130640E+00 Diamond 0.2917201E+01 Metallicity 0.7148867E+01 Ellipticity 0.2589137E-02 Gb(Abramov) 0.3959036E+00 Vb(Abramov) -0.5787433E+00 Hb(Abramov) -0.1828397E+00 Ex_ueg -0.1060735E+00 Ec_ueg -0.1397725E-01 Delta_ex -0.1022345E+00 Delta_ec 0.1902396E-01 Delta_et -0.2634004E+00 Pxc 0.7589010E+01 Qxc -0.5373986E+01 3,-1 124 3 -1 3.214536 -0.777710 -0.866509 Rho 0.1714905E+00 |GRAD(Rho)| 0.2348746E-12 GRAD(Rho)x -0.4313756E-14 GRAD(Rho)y 0.9058539E-13 GRAD(Rho)z -0.2166605E-12 Laplacian 0.7086963E+00 (-1/4)Del**2(Rho)) -0.1771741E+00 Diamond 0.1673832E+01 Metallicity 0.5146990E+01 Ellipticity 0.3203152E-01 Gb(Abramov) 0.2701016E+00 Vb(Abramov) -0.3630291E+00 Hb(Abramov) -0.9292750E-01 Ex_ueg -0.7036748E-01 Ec_ueg -0.9833130E-02 Delta_ex -0.7856935E-01 Delta_ec 0.1718934E-01 Delta_et -0.2322175E+00 Pxc 0.7156163E+01 Qxc -0.4570819E+01 3,-1 125 3 -1 3.878687 -0.601326 2.293220 Rho 0.2214383E+00 |GRAD(Rho)| 0.7023532E-14 GRAD(Rho)x -0.5066314E-14 GRAD(Rho)y -0.4714169E-14 GRAD(Rho)z -0.1199615E-14 Laplacian 0.7815957E+00 (-1/4)Del**2(Rho)) -0.1953989E+00 Diamond 0.2532357E+01 Metallicity 0.7145822E+01 Ellipticity 0.4955068E-02 Gb(Abramov) 0.3629803E+00 Vb(Abramov) -0.5305616E+00 Hb(Abramov) -0.1675814E+00 Ex_ueg -0.9894382E-01 Ec_ueg -0.1316544E-01 Delta_ex -0.9261480E-01 Delta_ec 0.1792138E-01 Delta_et -0.2483324E+00 Pxc 0.7515420E+01 Qxc -0.5167838E+01 3,-1 126 3 -1 0.410233 3.319250 -1.475192 Rho 0.8336427E-01 |GRAD(Rho)| 0.5956283E-16 GRAD(Rho)x 0.3820119E-16 GRAD(Rho)y -0.4278448E-16 GRAD(Rho)z -0.1605890E-16 Laplacian 0.3393008E+00 (-1/4)Del**2(Rho)) -0.8482519E-01 Diamond 0.3351545E+00 Metallicity 0.3230935E+01 Ellipticity 0.1161093E-01 Gb(Abramov) 0.1022276E+00 Vb(Abramov) -0.1196300E+00 Hb(Abramov) -0.1740239E-01 Ex_ueg -0.2689625E-01 Ec_ueg -0.4328875E-02 Delta_ex -0.3163326E-01 Delta_ec 0.9700139E-02 Delta_et -0.1158729E+00 Pxc 0.6213219E+01 Qxc -0.3261114E+01 3,-1 127 3 +3 0.503090 3.108686 0.017894 Rho 0.1161196E-01 |GRAD(Rho)| 0.2432967E-16 GRAD(Rho)x 0.5392297E-17 GRAD(Rho)y -0.2368817E-16 GRAD(Rho)z -0.1313824E-17 Laplacian 0.5196649E-01 (-1/4)Del**2(Rho)) -0.1299162E-01 Diamond 0.1040652E-02 Metallicity 0.7895849E+00 Ellipticity -0.4423678E+00 Gb(Abramov) 0.1037075E-01 Vb(Abramov) -0.7749871E-02 Hb(Abramov) 0.2620876E-02 Ex_ueg -0.1942044E-02 Ec_ueg -0.4416854E-03 Delta_ex -0.2245563E-02 Delta_ec 0.1624778E-03 Delta_et -0.1608795E-02 Pxc 0.4396894E+01 Qxc -0.1382074E+02 3,+3 128 3 -1 -0.154028 2.388963 2.395004 Rho 0.1388598E+00 |GRAD(Rho)| 0.8107566E-16 GRAD(Rho)x 0.2209062E-17 GRAD(Rho)y -0.7334628E-16 GRAD(Rho)z -0.3447763E-16 Laplacian 0.5789184E+00 (-1/4)Del**2(Rho)) -0.1447296E+00 Diamond 0.1071827E+01 Metallicity 0.4432244E+01 Ellipticity 0.1416055E-01 Gb(Abramov) 0.2033992E+00 Vb(Abramov) -0.2620688E+00 Hb(Abramov) -0.5866960E-01 Ex_ueg -0.5310727E-01 Ec_ueg -0.7734243E-02 Delta_ex -0.6103580E-01 Delta_ec 0.1501911E-01 Delta_et -0.1978018E+00 Pxc 0.6866511E+01 Qxc -0.4063875E+01 3,-1 129 3 -1 0.624495 -3.882601 2.158911 Rho 0.2281006E+00 |GRAD(Rho)| 0.7806126E-15 GRAD(Rho)x -0.3282422E-16 GRAD(Rho)y -0.7637120E-15 GRAD(Rho)z 0.1581851E-15 Laplacian 0.8432034E+00 (-1/4)Del**2(Rho)) -0.2108008E+00 Diamond 0.2806481E+01 Metallicity 0.6959182E+01 Ellipticity 0.1828195E-01 Gb(Abramov) 0.3850341E+00 Vb(Abramov) -0.5592674E+00 Hb(Abramov) -0.1742333E+00 Ex_ueg -0.1029328E+00 Ec_ueg -0.1362042E-01 Delta_ex -0.1005434E+00 Delta_ec 0.1892021E-01 Delta_et -0.2615911E+00 Pxc 0.7557238E+01 Qxc -0.5314075E+01 3,-1 130 3 -1 0.651104 -3.933830 -2.269125 Rho 0.2292228E+00 |GRAD(Rho)| 0.4907274E-08 GRAD(Rho)x 0.1052415E-08 GRAD(Rho)y -0.4423164E-08 GRAD(Rho)z -0.1846450E-08 Laplacian 0.8367586E+00 (-1/4)Del**2(Rho)) -0.2091896E+00 Diamond 0.2808700E+01 Metallicity 0.7070381E+01 Ellipticity 0.1613300E-01 Gb(Abramov) 0.3859682E+00 Vb(Abramov) -0.5627467E+00 Hb(Abramov) -0.1767785E+00 Ex_ueg -0.1036086E+00 Ec_ueg -0.1369730E-01 Delta_ex -0.9994282E-01 Delta_ec 0.1882142E-01 Delta_et -0.2605871E+00 Pxc 0.7564158E+01 Qxc -0.5310056E+01 3,-1 131 3 -1 1.456508 -2.641370 1.907377 Rho 0.8365317E-01 |GRAD(Rho)| 0.3369612E-13 GRAD(Rho)x -0.2517545E-13 GRAD(Rho)y 0.6929280E-14 GRAD(Rho)z 0.2129813E-13 Laplacian 0.3369106E+00 (-1/4)Del**2(Rho)) -0.8422764E-01 Diamond 0.3352755E+00 Metallicity 0.3272673E+01 Ellipticity 0.6715616E-02 Gb(Abramov) 0.1020933E+00 Vb(Abramov) -0.1199590E+00 Hb(Abramov) -0.1786570E-01 Ex_ueg -0.2702060E-01 Ec_ueg -0.4345967E-02 Delta_ex -0.3145876E-01 Delta_ec 0.9666852E-02 Delta_et -0.1156000E+00 Pxc 0.6217396E+01 Qxc -0.3254292E+01 3,-1 132 3 -1 2.475658 -0.312154 -2.676158 Rho 0.1210805E+00 |GRAD(Rho)| 0.1660080E-14 GRAD(Rho)x 0.8834892E-15 GRAD(Rho)y -0.4658139E-15 GRAD(Rho)z 0.1326020E-14 Laplacian 0.4767451E+00 (-1/4)Del**2(Rho)) -0.1191863E+00 Diamond 0.7502730E+00 Metallicity 0.4283351E+01 Ellipticity 0.1937032E-01 Gb(Abramov) 0.1645436E+00 Vb(Abramov) -0.2099010E+00 Hb(Abramov) -0.4535735E-01 Ex_ueg -0.4424020E-01 Ec_ueg -0.6618856E-02 Delta_ex -0.4865338E-01 Delta_ec 0.1281681E-01 Delta_et -0.1651256E+00 Pxc 0.6683965E+01 Qxc -0.3796059E+01 3,-1 133 3 -1 2.459695 -0.302387 2.736495 Rho 0.1666621E+00 |GRAD(Rho)| 0.2260963E-11 GRAD(Rho)x -0.1256991E-11 GRAD(Rho)y 0.5967984E-12 GRAD(Rho)z 0.1782066E-11 Laplacian 0.6482064E+00 (-1/4)Del**2(Rho)) -0.1620516E+00 Diamond 0.1477473E+01 Metallicity 0.5365718E+01 Ellipticity 0.5378737E-01 Gb(Abramov) 0.2529550E+00 Vb(Abramov) -0.3438583E+00 Hb(Abramov) -0.9090334E-01 Ex_ueg -0.6773828E-01 Ec_ueg -0.9518524E-02 Delta_ex -0.7133528E-01 Delta_ec 0.1581005E-01 Delta_et -0.2128099E+00 Pxc 0.7116468E+01 Qxc -0.4512022E+01 3,-1 134 3 -1 2.935922 0.391018 1.579526 Rho 0.1286484E+00 |GRAD(Rho)| 0.1570744E-12 GRAD(Rho)x 0.2488259E-13 GRAD(Rho)y -0.1354381E-12 GRAD(Rho)z 0.7556279E-13 Laplacian 0.5364617E+00 (-1/4)Del**2(Rho)) -0.1341154E+00 Diamond 0.8940845E+00 Metallicity 0.4211290E+01 Ellipticity 0.1421259E-01 Gb(Abramov) 0.1835435E+00 Vb(Abramov) -0.2329715E+00 Hb(Abramov) -0.4942803E-01 Ex_ueg -0.4796499E-01 Ec_ueg -0.7091062E-02 Delta_ex -0.5537714E-01 Delta_ec 0.1391249E-01 Delta_et -0.1805391E+00 Pxc 0.6764147E+01 Qxc -0.3980391E+01 3,-1 135 3 -1 3.242735 3.138231 -0.046594 Rho 0.2330332E+00 |GRAD(Rho)| 0.9275397E-14 GRAD(Rho)x 0.7267949E-14 GRAD(Rho)y -0.8102243E-15 GRAD(Rho)z -0.5705561E-14 Laplacian 0.8476309E+00 (-1/4)Del**2(Rho)) -0.2119077E+00 Diamond 0.2899926E+01 Metallicity 0.7174133E+01 Ellipticity 0.5804099E-02 Gb(Abramov) 0.3946475E+00 Vb(Abramov) -0.5773873E+00 Hb(Abramov) -0.1827398E+00 Ex_ueg -0.1059113E+00 Ec_ueg -0.1395885E-01 Delta_ex -0.1016635E+00 Delta_ec 0.1895239E-01 Delta_et -0.2625041E+00 Pxc 0.7587393E+01 Qxc -0.5364151E+01 3,-1 136 3 +3 -1.162079 -1.436072 -1.616000 Rho 0.4986495E-02 |GRAD(Rho)| 0.6840636E-17 GRAD(Rho)x 0.4254011E-17 GRAD(Rho)y -0.5336308E-18 GRAD(Rho)z 0.5330378E-17 Laplacian 0.2014628E-01 (-1/4)Del**2(Rho)) -0.5036571E-02 Diamond 0.2421322E-03 Metallicity 0.4978256E+00 Ellipticity -0.5453585E+00 Gb(Abramov) 0.3775603E-02 Vb(Abramov) -0.2514635E-02 Hb(Abramov) 0.1260968E-02 Ex_ueg -0.6291859E-03 Ec_ueg -0.1463317E-03 Delta_ex -0.7905400E-03 Delta_ec 0.2584001E-03 Delta_et -0.1554249E-02 Pxc 0.4299724E+01 Qxc -0.3059364E+01 3,+3 137 3 -1 -0.491245 -3.121424 -1.764505 Rho 0.2290533E+00 |GRAD(Rho)| 0.4417152E-13 GRAD(Rho)x -0.1689165E-13 GRAD(Rho)y -0.2040969E-13 GRAD(Rho)z 0.3534458E-13 Laplacian 0.8872712E+00 (-1/4)Del**2(Rho)) -0.2218178E+00 Diamond 0.2932429E+01 Metallicity 0.6659643E+01 Ellipticity 0.1252107E-01 Gb(Abramov) 0.3940831E+00 Vb(Abramov) -0.5663484E+00 Hb(Abramov) -0.1722653E+00 Ex_ueg -0.1035064E+00 Ec_ueg -0.1368568E-01 Delta_ex -0.1057111E+00 Delta_ec 0.1952524E-01 Delta_et -0.2685137E+00 Pxc 0.7563114E+01 Qxc -0.5414078E+01 3,-1 138 3 -1 0.699541 -3.171739 -0.921346 Rho 0.1438421E+00 |GRAD(Rho)| 0.6373415E-14 GRAD(Rho)x 0.2490155E-14 GRAD(Rho)y 0.2365350E-14 GRAD(Rho)z -0.5368861E-14 Laplacian 0.5920369E+00 (-1/4)Del**2(Rho)) -0.1480092E+00 Diamond 0.1149337E+01 Metallicity 0.4596293E+01 Ellipticity 0.6110531E-02 Gb(Abramov) 0.2120551E+00 Vb(Abramov) -0.2761010E+00 Hb(Abramov) -0.6404589E-01 Ex_ueg -0.5566297E-01 Ec_ueg -0.8050492E-02 Delta_ex -0.6301861E-01 Delta_ec 0.1533725E-01 Delta_et -0.2032978E+00 Pxc 0.6914232E+01 Qxc -0.4108861E+01 3,-1 139 3 -1 3.193698 -0.744803 0.913375 Rho 0.9762044E-01 |GRAD(Rho)| 0.6388932E-13 GRAD(Rho)x -0.5006528E-14 GRAD(Rho)y 0.7534106E-14 GRAD(Rho)z 0.6324569E-13 Laplacian 0.4065437E+00 (-1/4)Del**2(Rho)) -0.1016359E+00 Diamond 0.4890303E+00 Metallicity 0.3508116E+01 Ellipticity 0.7755158E-02 Gb(Abramov) 0.1271824E+00 Vb(Abramov) -0.1527288E+00 Hb(Abramov) -0.2554645E-01 Ex_ueg -0.3319756E-01 Ec_ueg -0.5181134E-02 Delta_ex -0.3936021E-01 Delta_ec 0.1132989E-01 Delta_et -0.1399856E+00 Pxc 0.6407392E+01 Qxc -0.3474017E+01 3,-1 140 3 -1 -1.729443 -0.248467 -1.368772 Rho 0.5927314E-01 |GRAD(Rho)| 0.1649485E-14 GRAD(Rho)x 0.1615704E-14 GRAD(Rho)y -0.2917735E-15 GRAD(Rho)z 0.1586489E-15 Laplacian 0.1298639E+00 (-1/4)Del**2(Rho)) -0.3246598E-01 Diamond 0.1426514E+00 Metallicity 0.4781394E+01 Ellipticity 0.1495293E-01 Gb(Abramov) 0.4751609E-01 Vb(Abramov) -0.6256620E-01 Hb(Abramov) -0.1505011E-01 Ex_ueg -0.1706851E-01 Ec_ueg -0.2933529E-02 Delta_ex -0.1321070E-01 Delta_ec 0.7525337E-02 Delta_et -0.8453266E-01 Pxc 0.5818422E+01 Qxc -0.1755496E+01 3,-1 141 3 -1 -1.774370 -0.245780 -2.100194 Rho 0.2878447E+00 |GRAD(Rho)| 0.2157513E-15 GRAD(Rho)x 0.1787671E-15 GRAD(Rho)y -0.6302216E-17 GRAD(Rho)z -0.1206285E-15 Laplacian -0.1374921E+01 (-1/4)Del**2(Rho)) 0.3437302E+00 Diamond 0.4519645E+01 Metallicity -0.6289255E+01 Ellipticity 0.9758390E-03 Gb(Abramov) 0.1311476E+00 Vb(Abramov) -0.6060255E+00 Hb(Abramov) -0.4748778E+00 Ex_ueg -0.1403662E+00 Ec_ueg -0.1780917E-01 Delta_ex 0.1301144E+00 Delta_ec 0.5015026E-01 Delta_et -0.1132297E+01 Pxc 0.7881684E+01 Qxc 0.2594492E+01 3,-1 142 3 +1 -1.663766 0.383137 1.373220 Rho 0.4385138E-02 |GRAD(Rho)| 0.5367790E-17 GRAD(Rho)x 0.3622125E-18 GRAD(Rho)y -0.5220688E-17 GRAD(Rho)z -0.1194316E-17 Laplacian 0.1648373E-01 (-1/4)Del**2(Rho)) -0.4120932E-02 Diamond 0.2359754E-03 Metallicity 0.4911300E+00 Ellipticity -0.1474859E+01 Gb(Abramov) 0.3084607E-02 Vb(Abramov) -0.2048282E-02 Hb(Abramov) 0.1036325E-02 Ex_ueg -0.5301060E-03 Ec_ueg -0.1205495E-03 Delta_ex -0.7038270E-03 Delta_ec 0.3486546E-03 Delta_et -0.1889972E-02 Pxc 0.4397414E+01 Qxc -0.2018694E+01 3,+1 143 3 -1 -0.283913 2.398782 -2.359717 Rho 0.1366972E+00 |GRAD(Rho)| 0.1009944E-11 GRAD(Rho)x 0.3726957E-12 GRAD(Rho)y -0.7053751E-12 GRAD(Rho)z -0.6192993E-12 Laplacian 0.5589528E+00 (-1/4)Del**2(Rho)) -0.1397382E+00 Diamond 0.1006988E+01 Metallicity 0.4472024E+01 Ellipticity 0.1457996E-01 Gb(Abramov) 0.1973109E+00 Vb(Abramov) -0.2548836E+00 Hb(Abramov) -0.5757270E-01 Ex_ueg -0.5200733E-01 Ec_ueg -0.7597461E-02 Delta_ex -0.5861030E-01 Delta_ec 0.1438442E-01 Delta_et -0.1886409E+00 Pxc 0.6845357E+01 Qxc -0.4074569E+01 3,-1 144 3 -1 0.563924 3.302460 1.554293 Rho 0.1485709E+00 |GRAD(Rho)| 0.6552437E-14 GRAD(Rho)x -0.5958667E-14 GRAD(Rho)y 0.1003629E-14 GRAD(Rho)z 0.2534058E-14 Laplacian 0.5983557E+00 (-1/4)Del**2(Rho)) -0.1495889E+00 Diamond 0.1196727E+01 Metallicity 0.4799653E+01 Ellipticity 0.4446478E-01 Gb(Abramov) 0.2193884E+00 Vb(Abramov) -0.2891879E+00 Hb(Abramov) -0.6979951E-01 Ex_ueg -0.5811612E-01 Ec_ueg -0.8352092E-02 Delta_ex -0.6408686E-01 Delta_ec 0.1518213E-01 Delta_et -0.2017525E+00 Pxc 0.6958271E+01 Qxc -0.4221204E+01 3,-1 145 3 -1 0.677281 -3.151343 0.805920 Rho 0.1388863E+00 |GRAD(Rho)| 0.2244268E-15 GRAD(Rho)x -0.2482823E-16 GRAD(Rho)y -0.1522457E-15 GRAD(Rho)z -0.1630098E-15 Laplacian 0.5747781E+00 (-1/4)Del**2(Rho)) -0.1436945E+00 Diamond 0.1071062E+01 Metallicity 0.4465586E+01 Ellipticity 0.5568396E-02 Gb(Abramov) 0.2027431E+00 Vb(Abramov) -0.2617916E+00 Hb(Abramov) -0.5904854E-01 Ex_ueg -0.5312075E-01 Ec_ueg -0.7735917E-02 Delta_ex -0.6067558E-01 Delta_ec 0.1504221E-01 Delta_et -0.1983811E+00 Pxc 0.6866768E+01 Qxc -0.4033687E+01 3,-1 146 3 -1 0.333639 -2.493605 -2.772024 Rho 0.1317450E+00 |GRAD(Rho)| 0.3143482E-11 GRAD(Rho)x -0.2358063E-12 GRAD(Rho)y 0.3124216E-11 GRAD(Rho)z -0.2552463E-12 Laplacian 0.5120332E+00 (-1/4)Del**2(Rho)) -0.1280083E+00 Diamond 0.8974868E+00 Metallicity 0.4590626E+01 Ellipticity 0.2640870E-01 Gb(Abramov) 0.1832786E+00 Vb(Abramov) -0.2385488E+00 Hb(Abramov) -0.5527026E-01 Ex_ueg -0.4951048E-01 Ec_ueg -0.7285383E-02 Delta_ex -0.5338996E-01 Delta_ec 0.1361286E-01 Delta_et -0.1781106E+00 Pxc 0.6795866E+01 Qxc -0.3922024E+01 3,-1 147 3 -1 0.275686 -2.475524 2.668119 Rho 0.1317855E+00 |GRAD(Rho)| 0.2334486E-15 GRAD(Rho)x 0.5612610E-16 GRAD(Rho)y -0.1729302E-15 GRAD(Rho)z -0.1464351E-15 Laplacian 0.5128521E+00 (-1/4)Del**2(Rho)) -0.1282130E+00 Diamond 0.9016973E+00 Metallicity 0.4585646E+01 Ellipticity 0.2986719E-01 Gb(Abramov) 0.1834653E+00 Vb(Abramov) -0.2387175E+00 Hb(Abramov) -0.5525224E-01 Ex_ueg -0.4953080E-01 Ec_ueg -0.7287931E-02 Delta_ex -0.5350823E-01 Delta_ec 0.1368526E-01 Delta_et -0.1791637E+00 Pxc 0.6796277E+01 Qxc -0.3909916E+01 3,-1 148 3 -1 0.035992 -1.112084 3.495335 Rho 0.1444445E+00 |GRAD(Rho)| 0.1718720E-13 GRAD(Rho)x -0.1347545E-14 GRAD(Rho)y 0.8778406E-14 GRAD(Rho)z 0.1471473E-13 Laplacian 0.5681891E+00 (-1/4)Del**2(Rho)) -0.1420473E+00 Diamond 0.1108710E+01 Metallicity 0.4822684E+01 Ellipticity 0.4408150E-01 Gb(Abramov) 0.2088730E+00 Vb(Abramov) -0.2756988E+00 Hb(Abramov) -0.6682576E-01 Ex_ueg -0.5597403E-01 Ec_ueg -0.8088838E-02 Delta_ex -0.6054310E-01 Delta_ec 0.1470663E-01 Delta_et -0.1950645E+00 Pxc 0.6919909E+01 Qxc -0.4116723E+01 3,-1 149 3 -1 2.711124 -1.550842 -2.009593 Rho 0.1783091E+00 |GRAD(Rho)| 0.1215501E-15 GRAD(Rho)x 0.7215365E-16 GRAD(Rho)y -0.9015141E-16 GRAD(Rho)z -0.3796063E-16 Laplacian 0.6976740E+00 (-1/4)Del**2(Rho)) -0.1744185E+00 Diamond 0.1732847E+01 Metallicity 0.5579343E+01 Ellipticity 0.4996032E-01 Gb(Abramov) 0.2784691E+00 Vb(Abramov) -0.3825197E+00 Hb(Abramov) -0.1040506E+00 Ex_ueg -0.7412243E-01 Ec_ueg -0.1027971E-01 Delta_ex -0.7815678E-01 Delta_ec 0.1683542E-01 Delta_et -0.2286468E+00 Pxc 0.7210556E+01 Qxc -0.4642401E+01 3,-1 150 3 -1 0.162569 -1.101793 -3.539782 Rho 0.1454037E+00 |GRAD(Rho)| 0.2612497E-14 GRAD(Rho)x -0.1691220E-15 GRAD(Rho)y 0.2590051E-14 GRAD(Rho)z -0.2969486E-15 Laplacian 0.5745439E+00 (-1/4)Del**2(Rho)) -0.1436360E+00 Diamond 0.1123412E+01 Metallicity 0.4822243E+01 Ellipticity 0.4785545E-01 Gb(Abramov) 0.2111986E+00 Vb(Abramov) -0.2787612E+00 Hb(Abramov) -0.6756259E-01 Ex_ueg -0.5647016E-01 Ec_ueg -0.8149937E-02 Delta_ex -0.6125023E-01 Delta_ec 0.1472382E-01 Delta_et -0.1952146E+00 Pxc 0.6928908E+01 Qxc -0.4159941E+01 3,-1 151 3 -1 0.142844 -0.276623 -0.550781 Rho 0.1823716E+00 |GRAD(Rho)| 0.3153415E-15 GRAD(Rho)x 0.1139561E-15 GRAD(Rho)y -0.1539029E-15 GRAD(Rho)z -0.2505358E-15 Laplacian 0.5229017E+00 (-1/4)Del**2(Rho)) -0.1307254E+00 Diamond 0.1491634E+01 Metallicity 0.7728969E+01 Ellipticity 0.3883417E-02 Gb(Abramov) 0.2555458E+00 Vb(Abramov) -0.3803661E+00 Hb(Abramov) -0.1248203E+00 Ex_ueg -0.7638262E-01 Ec_ueg -0.1054706E-01 Delta_ex -0.6011866E-01 Delta_ec 0.1469847E-01 Delta_et -0.2066763E+00 Pxc 0.7242079E+01 Qxc -0.4090131E+01 3,-1 152 3 -1 0.052401 -0.291019 0.475010 Rho 0.1905627E+00 |GRAD(Rho)| 0.7591307E-12 GRAD(Rho)x -0.2826628E-12 GRAD(Rho)y 0.3175678E-12 GRAD(Rho)z -0.6289132E-12 Laplacian 0.5987620E+00 (-1/4)Del**2(Rho)) -0.1496905E+00 Diamond 0.1795890E+01 Metallicity 0.7262541E+01 Ellipticity 0.1388247E-01 Gb(Abramov) 0.2809826E+00 Vb(Abramov) -0.4122746E+00 Hb(Abramov) -0.1312921E+00 Ex_ueg -0.8099076E-01 Ec_ueg -0.1108896E-01 Delta_ex -0.6955259E-01 Delta_ec 0.1658810E-01 Delta_et -0.2345312E+00 Pxc 0.7303727E+01 Qxc -0.4192921E+01 3,-1 153 3 -1 1.301029 2.023390 -0.034647 Rho 0.3585966E-01 |GRAD(Rho)| 0.4114605E-16 GRAD(Rho)x 0.3685144E-16 GRAD(Rho)y -0.1830152E-16 GRAD(Rho)z -0.1530615E-18 Laplacian 0.1348615E+00 (-1/4)Del**2(Rho)) -0.3371537E-01 Diamond 0.4232023E-01 Metallicity 0.1992517E+01 Ellipticity 0.4514911E-01 Gb(Abramov) 0.3367332E-01 Vb(Abramov) -0.3363128E-01 Hb(Abramov) 0.4204828E-04 Ex_ueg -0.8733598E-02 Ec_ueg -0.1649631E-02 Delta_ex -0.1014025E-01 Delta_ec 0.3885148E-02 Delta_et -0.3747689E-01 Pxc 0.5294275E+01 Qxc -0.2610003E+01 3,-1 154 3 -1 1.905544 3.044349 0.706712 Rho 0.1292743E+00 |GRAD(Rho)| 0.2972845E-15 GRAD(Rho)x 0.9997699E-16 GRAD(Rho)y -0.2397984E-15 GRAD(Rho)z -0.1444970E-15 Laplacian 0.5124208E+00 (-1/4)Del**2(Rho)) -0.1281052E+00 Diamond 0.8744909E+00 Metallicity 0.4444676E+01 Ellipticity 0.1793024E-01 Gb(Abramov) 0.1803011E+00 Vb(Abramov) -0.2324971E+00 Hb(Abramov) -0.5219595E-01 Ex_ueg -0.4827638E-01 Ec_ueg -0.7130288E-02 Delta_ex -0.5314554E-01 Delta_ec 0.1360920E-01 Delta_et -0.1773707E+00 Pxc 0.6770607E+01 Qxc -0.3905118E+01 3,-1 155 3 -1 2.680087 1.877064 0.635069 Rho 0.1393517E+00 |GRAD(Rho)| 0.3554388E-15 GRAD(Rho)x 0.3361027E-17 GRAD(Rho)y -0.9279415E-16 GRAD(Rho)z -0.3430958E-15 Laplacian 0.5868935E+00 (-1/4)Del**2(Rho)) -0.1467234E+00 Diamond 0.1089784E+01 Metallicity 0.4397856E+01 Ellipticity 0.9128852E-02 Gb(Abramov) 0.2053603E+00 Vb(Abramov) -0.2639972E+00 Hb(Abramov) -0.5863693E-01 Ex_ueg -0.5335824E-01 Ec_ueg -0.7765394E-02 Delta_ex -0.6191410E-01 Delta_ec 0.1518482E-01 Delta_et -0.2000340E+00 Pxc 0.6871285E+01 Qxc -0.4077367E+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 63 138 137 86 146 130 115 61 47 128 56 144 59 119 139 134 122 133 125 87 117 104 76 150 135 153 92 155 82 154 113 109 108 70 148 81 64 103 145 147 131 129 90 95 124 132 149 123 60 143 49 57 126 54 151 96 97 100 107 140 116 152 102 98 52 99 141 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 23 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 21 23 26 36 46 36 36 26 45 28 45 46 2.506367 1.929456 1.760470 2.147252 1.975107 1.761145 1.748801 2.481904 1.951814 1.944012 1.894834 1.925683 1.750858 2.693848 2.061912 1.950889 1.853005 1.857139 1.748138 2.406653 1.964163 1.921955 1.916306 1.935546 1.754736 2.515792 1.896067 1.943097 1.863175 1.981594 1.759108 2.443998 1.788787 1.941788 1.937758 2.121259 2.410217 1.759328 1.942647 1.974981 2.158157 1.762827 2.476985 1.989118 1.862255 2.009550 1.856876 1.754176 2.496968 1.926300 1.752590 1.753994 2.139685 2.037643 1.607213 3.102191 3.276306 3.231150 1.514751 1.605937 1.591611 1.585573 3.129542 1.715313 3.002943 1.004390 1.027471 2.507389 1.929870 1.760518 2.147731 1.975648 1.761175 1.748807 2.483065 1.952802 1.944526 1.895395 1.926182 1.750864 2.694804 2.062471 1.951565 1.853587 1.857605 1.748162 2.408014 1.964647 1.923085 1.916841 1.936038 1.754743 2.516951 1.896520 1.943590 1.863580 1.982094 1.759131 2.445114 1.788863 1.942111 1.938309 2.121737 2.411516 1.759364 1.943018 1.975540 2.158693 1.762848 2.478196 1.989497 1.862714 2.010074 1.857277 1.754189 2.498111 1.926760 1.752731 1.754032 2.140399 2.038345 1.607239 3.115033 3.320751 3.258280 1.514791 1.609647 1.591643 1.585596 3.145646 1.718548 3.009129 1.004466 1.027533 29 25 22 25 23 22 21 29 23 23 26 23 23 31 25 23 22 24 22 29 27 23 23 23 21 29 25 25 23 25 24 27 22 23 23 25 29 24 23 23 25 22 29 27 22 24 22 23 29 23 22 26 25 26 21 35 35 35 21 22 23 21 33 25 33 19 17 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 W O W Mo W W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.3348 -0.8263 2.4097 2.2240 2.4115 2.4272 2.3515 -0.8478 -0.8527 2.3430 2.4361 2.1927 -1.0640 -0.8924 -1.0380 -1.0431 -0.8175 -0.9514 -0.8749 -0.9704 -0.7357 -0.9411 -0.8185 -0.9923 -0.9815 -0.8120 -0.9482 -0.7999 -0.9832 -0.7843 -0.9597 -1.0087 -0.9753 -0.9591 -0.9209 2.1959 -0.8600 -0.9260 -0.9894 -0.9850 -0.8601 -0.8442 -0.8324 -0.7845 0.2782 0.2759 2.1308 1.9585 2.1114 1.9919 2.1106 2.0965 2.1273 1.9560 1.9546 2.1347 2.0982 2.0064 1.8969 1.9071 1.8966 1.8973 1.9570 1.9322 1.9539 1.9312 1.9696 1.9340 1.8738 1.9294 1.9292 1.9570 1.9324 1.8763 1.9382 1.9647 1.9414 1.9377 1.9410 1.9403 1.9464 2.5576 1.9536 1.9452 1.9361 1.9377 1.9543 1.9563 1.9572 1.9668 0.5614 0.5501 6.1201 4.8342 6.1152 6.1096 6.1104 6.0991 6.1198 4.8589 4.8659 6.1145 6.0924 6.1127 5.1294 4.9442 5.1051 5.1090 4.8280 4.9926 4.8887 5.0093 4.7357 4.9789 4.9144 5.0334 5.0225 4.8223 4.9895 4.8934 5.0145 4.7902 4.9902 5.0398 5.0045 4.9898 4.9476 7.4331 4.8747 4.9528 5.0215 5.0159 4.8739 4.8550 4.8419 4.7873 0.1604 0.1741 3.3856 0.0336 3.3343 3.6746 3.3382 3.3474 3.3724 0.0328 0.0322 3.3790 3.3437 3.6882 0.0377 0.0412 0.0364 0.0367 0.0324 0.0266 0.0323 0.0298 0.0304 0.0282 0.0303 0.0295 0.0298 0.0327 0.0263 0.0301 0.0306 0.0294 0.0281 0.0312 0.0297 0.0290 0.0269 0.8133 0.0317 0.0280 0.0318 0.0313 0.0319 0.0329 0.0333 0.0303 0.0000 0.0000 14.0286 0.0000 14.0294 0.0000 14.0293 14.0299 14.0291 0.0000 0.0000 14.0288 14.0296 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 W O W Mo W W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.469118 -0.868527 2.507765 3.160674 2.507416 2.501868 2.482073 -0.894497 -0.903651 2.479700 2.499044 3.141799 -1.033796 -0.848920 -1.065804 -1.046353 -0.879441 -1.109832 -0.842671 -0.980759 -1.017402 -1.065027 -0.664017 -0.988886 -0.979213 -0.875065 -1.106274 -0.656474 -0.977437 -1.065911 -1.059608 -0.986652 -0.981854 -1.063980 -1.116446 1.994577 -0.911800 -1.115619 -0.983176 -0.980217 -0.911812 -0.890944 -0.881013 -1.064275 0.032339 0.040979 1.930769 -0.763881 1.950131 2.346719 1.954561 1.933673 1.930765 -0.806385 -0.814032 1.946139 1.936626 2.340802 -0.727180 -0.735375 -0.781230 -0.760908 -0.787985 -0.840954 -0.763162 -0.742686 -0.814273 -0.841028 -0.821316 -0.718627 -0.723114 -0.780876 -0.834899 -0.797430 -0.806408 -0.866357 -0.901578 -0.802476 -0.826385 -0.864342 -0.918342 1.603668 -0.826658 -0.916461 -0.798972 -0.801060 -0.826136 -0.803126 -0.781821 -0.859551 0.284508 0.296653 2.019771 -0.739648 2.072770 2.438452 2.044374 2.037175 2.035274 -0.770978 -0.788806 2.040253 2.043729 2.428819 -0.791535 -0.719265 -0.864530 -0.821350 -0.788605 -0.929613 -0.813040 -0.822011 -0.827448 -0.923354 -0.849346 -0.815943 -0.819095 -0.794810 -0.925572 -0.824763 -0.845640 -0.846684 -0.928621 -0.874107 -0.852835 -0.926733 -0.940067 1.567740 -0.801956 -0.937901 -0.856969 -0.838937 -0.801976 -0.767029 -0.763964 -0.825655 0.345522 0.364904 -20.59909833 -0.20402882 -1.03894895 20.62629135 72.52712817 15.74203230 2.95145032 -44.33465112 -1.48377041 -28.19247705 -315.2791 351.8602 -24.1890 -351.4773 -61.1116 -400.1968 Mar30-2024 00:36:15 Nodes: 1 Procs: 1 Mar30-2024 00:36:18 Nodes: 1 Procs: 1 0 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Mar30-2024 00:36:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar30-2024 00:36:21 Nodes: 1 Procs: 1 Mar30-2024 00:36:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar30-2024 00:36:23 Nodes: 1 Procs: 1 Mar30-2024 00:36:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar30-2024 00:36:26 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -14.00567752 -14.39820084 -14.50954874 -14.62039630 -14.64915334 -14.66778376 -14.67483320 -14.67800987 -14.68486078 -14.68689861 -14.68910469 -14.69061634 -14.69111868 -14.69296538 -14.69327353 -14.69386881 -14.69481534 -14.69529478 -14.69622377 -14.69750673 -14.69801259 -14.69886668 -14.69972701 -14.70004817 -14.70017908 -14.70029997 -14.70030783 -14.70037943 -14.70042314 -14.70044214 -14.70039961 -14.70041492 -14.70042022 -14.70042559 -14.70045777 -14.69961185 -14.70008872 -14.70045937 -14.70084003 -14.70175472 -14.70243443 -14.70298696 -14.70353169 -14.70397182 -14.70431708 -14.70512330 -14.70547034 -14.70570836 -14.70589310 -14.70606648 -14.70611860 -14.70618804 -14.70634154 -14.70649558 -14.70659089 -14.70664836 -14.70668871 -14.70674342 -14.70678320 -14.70685782 -14.70687020 -14.70688764 -14.70690007 -14.70694249 -14.70692880 -14.70693118 -14.70696052 GEOMETRY CONVERGED