ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 04:58:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.02 0.40 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 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 04:58:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 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 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 0 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 04:59:00 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 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 0 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 04:59:00 Nodes: 1 Procs: 1 Mar06-2024 04:59:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 04:59:01 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 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 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 0 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Mar06-2024 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-3 -1.835524 2.486832 -1.844257 Rho 0.1240650E+06 3,-3 3 3 -3 1.716051 2.527779 1.890005 Rho 0.1240651E+06 3,-3 4 3 -3 1.666717 -2.593860 -1.717212 Rho 0.1240650E+06 3,-3 5 3 -3 1.693613 2.603180 -1.922109 Rho 0.1240652E+06 3,-3 6 3 -3 -1.776066 2.467968 1.927691 Rho 0.1240649E+06 3,-3 7 3 -3 -0.089408 0.039275 3.583302 Rho 0.1240649E+06 3,-3 8 3 -3 3.633438 -0.155245 -0.058527 Rho 0.1240652E+06 3,-3 9 3 -3 -0.144532 0.081393 -3.581212 Rho 0.1240650E+06 3,-3 10 3 -3 2.581623 -3.664431 -2.801742 Rho 0.3192590E+03 3,-3 11 3 -3 2.891185 3.793636 -2.465232 Rho 0.3192446E+03 3,-3 12 3 -3 -2.834543 3.781172 2.473551 Rho 0.3192683E+03 3,-3 13 3 -3 1.152248 -1.093392 -0.041953 Rho 0.3186990E+03 3,-3 14 3 -3 -1.574834 -0.855277 0.110881 Rho 0.3185813E+03 3,-3 15 3 -3 -0.139592 0.912902 -1.369793 Rho 0.3187238E+03 3,-3 16 3 -3 -0.045298 0.907540 1.374947 Rho 0.3187163E+03 3,-3 17 3 -3 -1.466587 -1.017050 3.256083 Rho 0.3193499E+03 3,-3 18 3 -3 1.259595 -1.150730 -2.879212 Rho 0.3189793E+03 3,-3 19 3 -3 -2.905267 1.157050 1.427832 Rho 0.3192583E+03 3,-3 20 3 -3 2.944655 1.160035 -1.255432 Rho 0.3190015E+03 3,-3 21 3 -3 -1.432040 -1.083672 -3.260568 Rho 0.3193396E+03 3,-3 22 3 -3 2.933572 1.195302 1.341046 Rho 0.3190283E+03 3,-3 23 3 -3 -3.143613 1.316559 -1.657552 Rho 0.3193368E+03 3,-3 24 3 -3 1.263209 -1.131687 2.927717 Rho 0.3189719E+03 3,-3 25 3 -3 -1.654366 3.005120 -0.051731 Rho 0.3190016E+03 3,-3 26 3 -3 0.111760 -3.283975 1.719306 Rho 0.3193428E+03 3,-3 27 3 -3 1.597390 3.007515 -0.016469 Rho 0.3189967E+03 3,-3 28 3 -3 0.071320 -3.341034 -1.678353 Rho 0.3193424E+03 3,-3 29 3 -3 3.555823 -1.474424 -1.347484 Rho 0.3191118E+03 3,-3 30 3 -3 0.164282 -0.115773 -5.319146 Rho 0.3192603E+03 3,-3 31 3 -3 1.478547 1.529160 -3.438672 Rho 0.3190872E+03 3,-3 32 3 -3 -1.318129 1.663363 3.607470 Rho 0.3190283E+03 3,-3 33 3 -3 3.467555 -1.392771 1.351602 Rho 0.3190678E+03 3,-3 34 3 -3 -1.245795 1.647157 -3.611141 Rho 0.3190271E+03 3,-3 35 3 -3 1.353241 1.617214 3.502810 Rho 0.3190722E+03 3,-3 36 3 -3 0.131882 -0.117144 5.338289 Rho 0.3192618E+03 3,-3 37 3 -3 -0.014327 3.448245 2.057448 Rho 0.3190352E+03 3,-3 38 3 -3 2.263406 -3.432047 0.008272 Rho 0.3190184E+03 3,-3 39 3 -3 0.089906 3.497731 -2.186203 Rho 0.3191021E+03 3,-3 40 3 -3 2.635161 -3.654953 2.814636 Rho 0.3192666E+03 3,-3 41 3 -3 5.355803 0.257653 -0.004370 Rho 0.3192484E+03 3,-3 42 3 -3 -2.661354 3.893547 -2.553283 Rho 0.3192515E+03 3,-3 43 3 -3 2.791732 3.817625 2.461599 Rho 0.3192495E+03 3,-3 44 3 -3 -0.125152 -0.037928 0.003259 Rho 0.1943370E+04 3,-3 45 3 -3 -2.168567 -0.213336 0.595924 Rho 0.4404665E+00 3,-3 46 3 -1 -2.957724 1.273524 -0.115673 Rho 0.7073400E-02 |GRAD(Rho)| 0.1008684E-17 GRAD(Rho)x 0.3642242E-18 GRAD(Rho)y -0.4912791E-18 GRAD(Rho)z 0.8021402E-18 Laplacian 0.2719841E-01 (-1/4)Del**2(Rho)) -0.6799604E-02 Diamond 0.1237446E-02 Metallicity 0.6603638E+00 Ellipticity 0.3931869E+00 Gb(Abramov) 0.5281438E-02 Vb(Abramov) -0.3763272E-02 Hb(Abramov) 0.1518166E-02 Ex_ueg -0.1002819E-02 Ec_ueg -0.2372026E-03 Delta_ex -0.1580427E-02 Delta_ec 0.1092145E-02 Delta_et -0.6489979E-02 Pxc 0.4227691E+01 Qxc -0.1447085E+01 3,-1 47 3 -1 -0.823210 2.998958 -2.019048 Rho 0.7198355E-01 |GRAD(Rho)| 0.1110627E-15 GRAD(Rho)x -0.1918360E-16 GRAD(Rho)y -0.1038107E-15 GRAD(Rho)z -0.3450008E-16 Laplacian 0.2875311E+00 (-1/4)Del**2(Rho)) -0.7188278E-01 Diamond 0.2370285E+00 Metallicity 0.2985271E+01 Ellipticity 0.2303881E-01 Gb(Abramov) 0.8368678E-01 Vb(Abramov) -0.9549079E-01 Hb(Abramov) -0.1180400E-01 Ex_ueg -0.2211547E-01 Ec_ueg -0.3661965E-02 Delta_ex -0.2591503E-01 Delta_ec 0.8439543E-02 Delta_et -0.9751741E-01 Pxc 0.6039234E+01 Qxc -0.3070667E+01 3,-1 48 3 +1 -2.741740 1.537797 -0.103404 Rho 0.6800976E-02 |GRAD(Rho)| 0.2535737E-17 GRAD(Rho)x -0.1888883E-18 GRAD(Rho)y -0.2339505E-17 GRAD(Rho)z 0.9596883E-18 Laplacian 0.2910854E-01 (-1/4)Del**2(Rho)) -0.7277135E-02 Diamond 0.8462918E-03 Metallicity 0.5779339E+00 Ellipticity -0.1853868E+01 Gb(Abramov) 0.5552374E-02 Vb(Abramov) -0.3827613E-02 Hb(Abramov) 0.1724761E-02 Ex_ueg -0.9516562E-03 Ec_ueg -0.2252209E-03 Delta_ex -0.1426573E-02 Delta_ec 0.7179053E-03 Delta_et -0.4351505E-02 Pxc 0.4225435E+01 Qxc -0.1987132E+01 3,+1 49 3 +3 1.498335 1.025996 -0.004092 Rho 0.4028072E-02 |GRAD(Rho)| 0.5270497E-17 GRAD(Rho)x 0.3453678E-17 GRAD(Rho)y 0.3860033E-17 GRAD(Rho)z -0.9748820E-18 Laplacian 0.1547748E-01 (-1/4)Del**2(Rho)) -0.3869371E-02 Diamond 0.9046082E-04 Metallicity 0.4540199E+00 Ellipticity -0.2248339E+00 Gb(Abramov) 0.2872376E-02 Vb(Abramov) -0.1875381E-02 Hb(Abramov) 0.9969950E-03 Ex_ueg -0.4733489E-03 Ec_ueg -0.1053296E-03 Delta_ex -0.5162335E-03 Delta_ec 0.9035351E-04 Delta_et -0.6232227E-03 Pxc 0.4493979E+01 Qxc -0.5713486E+01 3,+3 50 3 -1 -1.737265 2.744144 -0.890430 Rho 0.1564977E+00 |GRAD(Rho)| 0.3936053E-11 GRAD(Rho)x 0.3942212E-12 GRAD(Rho)y 0.1018239E-11 GRAD(Rho)z 0.3781572E-11 Laplacian 0.6350470E+00 (-1/4)Del**2(Rho)) -0.1587618E+00 Diamond 0.1339023E+01 Metallicity 0.4931593E+01 Ellipticity 0.2372434E-01 Gb(Abramov) 0.2363326E+00 Vb(Abramov) -0.3139034E+00 Hb(Abramov) -0.7757080E-01 Ex_ueg -0.6228675E-01 Ec_ueg -0.8860750E-02 Delta_ex -0.6877216E-01 Delta_ec 0.1568821E-01 Delta_et -0.2094197E+00 Pxc 0.7029513E+01 Qxc -0.4383684E+01 3,-1 51 3 -1 -1.707700 2.735406 0.887102 Rho 0.9979635E-01 |GRAD(Rho)| 0.4029509E-13 GRAD(Rho)x -0.4744483E-14 GRAD(Rho)y -0.7724063E-14 GRAD(Rho)z 0.3926223E-13 Laplacian 0.4062835E+00 (-1/4)Del**2(Rho)) -0.1015709E+00 Diamond 0.5048995E+00 Metallicity 0.3641736E+01 Ellipticity 0.1976679E-02 Gb(Abramov) 0.1293630E+00 Vb(Abramov) -0.1571550E+00 Hb(Abramov) -0.2779209E-01 Ex_ueg -0.3418781E-01 Ec_ueg -0.5312717E-02 Delta_ex -0.3958897E-01 Delta_ec 0.1135990E-01 Delta_et -0.1410872E+00 Pxc 0.6435089E+01 Qxc -0.3484974E+01 3,-1 52 3 +1 -0.027288 2.977377 -0.308523 Rho 0.5414670E-02 |GRAD(Rho)| 0.1201409E-16 GRAD(Rho)x 0.1196838E-16 GRAD(Rho)y 0.7002150E-18 GRAD(Rho)z -0.7784671E-18 Laplacian 0.2223885E-01 (-1/4)Del**2(Rho)) -0.5559714E-02 Diamond 0.5451716E-03 Metallicity 0.5173536E+00 Ellipticity -0.2532792E+01 Gb(Abramov) 0.4185865E-02 Vb(Abramov) -0.2812017E-02 Hb(Abramov) 0.1373848E-02 Ex_ueg -0.7022328E-03 Ec_ueg -0.1648012E-03 Delta_ex -0.1096134E-02 Delta_ec 0.6524525E-03 Delta_et -0.3648251E-02 Pxc 0.4261091E+01 Qxc -0.1680022E+01 3,+1 53 3 +1 -1.526552 0.588288 1.015261 Rho 0.1231825E-01 |GRAD(Rho)| 0.4450783E-15 GRAD(Rho)x -0.2966648E-16 GRAD(Rho)y -0.3863554E-15 GRAD(Rho)z -0.2189614E-15 Laplacian 0.5040180E-01 (-1/4)Del**2(Rho)) -0.1260045E-01 Diamond 0.1929906E-02 Metallicity 0.8982875E+00 Ellipticity -0.1391223E+01 Gb(Abramov) 0.1028677E-01 Vb(Abramov) -0.7973093E-02 Hb(Abramov) 0.2313679E-02 Ex_ueg -0.2101118E-02 Ec_ueg -0.4742803E-03 Delta_ex -0.2449017E-02 Delta_ec 0.5727354E-03 Delta_et -0.4383837E-02 Pxc 0.4430117E+01 Qxc -0.4276000E+01 3,+1 54 3 +3 -1.921681 1.042462 -0.191197 Rho 0.4172037E-02 |GRAD(Rho)| 0.2564323E-17 GRAD(Rho)x 0.1287490E-18 GRAD(Rho)y 0.5963112E-18 GRAD(Rho)z -0.2490700E-17 Laplacian 0.1665408E-01 (-1/4)Del**2(Rho)) -0.4163520E-02 Diamond 0.1155230E-03 Metallicity 0.4473762E+00 Ellipticity -0.5016950E+00 Gb(Abramov) 0.3086123E-02 Vb(Abramov) -0.2008726E-02 Hb(Abramov) 0.1077397E-02 Ex_ueg -0.4960392E-03 Ec_ueg -0.1114581E-03 Delta_ex -0.5765789E-03 Delta_ec 0.1255444E-03 Delta_et -0.8095100E-03 Pxc 0.4450456E+01 Qxc -0.4592631E+01 3,+3 55 3 +1 -0.034446 3.000953 0.194955 Rho 0.5407639E-02 |GRAD(Rho)| 0.6124474E-17 GRAD(Rho)x -0.6033055E-17 GRAD(Rho)y -0.1968217E-18 GRAD(Rho)z -0.1035708E-17 Laplacian 0.2214866E-01 (-1/4)Del**2(Rho)) -0.5537165E-02 Diamond 0.5430047E-03 Metallicity 0.5183366E+00 Ellipticity -0.2488003E+01 Gb(Abramov) 0.4169796E-02 Vb(Abramov) -0.2802427E-02 Hb(Abramov) 0.1367369E-02 Ex_ueg -0.7010171E-03 Ec_ueg -0.1644971E-03 Delta_ex -0.1092235E-02 Delta_ec 0.6512888E-03 Delta_et -0.3639699E-02 Pxc 0.4261577E+01 Qxc -0.1677037E+01 3,+1 56 3 +1 -0.367037 -2.030305 -2.525958 Rho 0.6120413E-02 |GRAD(Rho)| 0.1047813E-16 GRAD(Rho)x 0.4748450E-17 GRAD(Rho)y 0.9186512E-17 GRAD(Rho)z -0.1688633E-17 Laplacian 0.2636807E-01 (-1/4)Del**2(Rho)) -0.6592019E-02 Diamond 0.7546105E-03 Metallicity 0.5351834E+00 Ellipticity -0.2198369E+01 Gb(Abramov) 0.4982669E-02 Vb(Abramov) -0.3373319E-02 Hb(Abramov) 0.1609350E-02 Ex_ueg -0.8268487E-03 Ec_ueg -0.1954429E-03 Delta_ex -0.1326733E-02 Delta_ec 0.7638464E-03 Delta_et -0.4433589E-02 Pxc 0.4230641E+01 Qxc -0.1736910E+01 3,+1 57 3 -1 -0.585938 -2.103936 2.506725 Rho 0.5953123E-02 |GRAD(Rho)| 0.2853885E-17 GRAD(Rho)x -0.2410868E-17 GRAD(Rho)y -0.1480825E-17 GRAD(Rho)z -0.3735415E-18 Laplacian 0.2341872E-01 (-1/4)Del**2(Rho)) -0.5854679E-02 Diamond 0.8820201E-03 Metallicity 0.5753846E+00 Ellipticity 0.9667829E+00 Gb(Abramov) 0.4464568E-02 Vb(Abramov) -0.3074457E-02 Hb(Abramov) 0.1390111E-02 Ex_ueg -0.7968531E-03 Ec_ueg -0.1881574E-03 Delta_ex -0.1345619E-02 Delta_ec 0.9889426E-03 Delta_et -0.5559855E-02 Pxc 0.4235034E+01 Qxc -0.1360664E+01 3,-1 58 3 +1 0.746194 -0.599428 1.517838 Rho 0.8513869E-02 |GRAD(Rho)| 0.2386076E-17 GRAD(Rho)x 0.7851466E-18 GRAD(Rho)y -0.2113999E-17 GRAD(Rho)z -0.7796872E-18 Laplacian 0.3441369E-01 (-1/4)Del**2(Rho)) -0.8603422E-02 Diamond 0.9137330E-03 Metallicity 0.7108209E+00 Ellipticity -0.1410739E+01 Gb(Abramov) 0.6754864E-02 Vb(Abramov) -0.4906305E-02 Hb(Abramov) 0.1848559E-02 Ex_ueg -0.1283968E-02 Ec_ueg -0.3011280E-03 Delta_ex -0.1570584E-02 Delta_ec 0.4885985E-03 Delta_et -0.3327376E-02 Pxc 0.4263862E+01 Qxc -0.3214468E+01 3,+1 59 3 +1 -0.381129 -1.991497 2.543650 Rho 0.5874955E-02 |GRAD(Rho)| 0.7617810E-17 GRAD(Rho)x 0.2844601E-17 GRAD(Rho)y -0.3259806E-17 GRAD(Rho)z -0.6270003E-17 Laplacian 0.2526414E-01 (-1/4)Del**2(Rho)) -0.6316036E-02 Diamond 0.7077439E-03 Metallicity 0.5217344E+00 Ellipticity -0.2348622E+01 Gb(Abramov) 0.4759906E-02 Vb(Abramov) -0.3203776E-02 Hb(Abramov) 0.1556130E-02 Ex_ueg -0.7829327E-03 Ec_ueg -0.1847579E-03 Delta_ex -0.1278230E-02 Delta_ec 0.7632961E-03 Delta_et -0.4363444E-02 Pxc 0.4237616E+01 Qxc -0.1674618E+01 3,+1 60 3 +1 -0.677391 1.195713 2.497767 Rho 0.2504199E-01 |GRAD(Rho)| 0.1918114E-15 GRAD(Rho)x 0.1163524E-15 GRAD(Rho)y 0.1255886E-16 GRAD(Rho)z 0.1519737E-15 Laplacian 0.9243552E-01 (-1/4)Del**2(Rho)) -0.2310888E-01 Diamond 0.1157157E-01 Metallicity 0.1597922E+01 Ellipticity -0.3675859E+01 Gb(Abramov) 0.2156028E-01 Vb(Abramov) -0.2001169E-01 Hb(Abramov) 0.1548595E-02 Ex_ueg -0.5410991E-02 Ec_ueg -0.1090828E-02 Delta_ex -0.5692407E-02 Delta_ec 0.1462938E-02 Delta_et -0.1294330E-01 Pxc 0.4960442E+01 Qxc -0.3891078E+01 3,+1 61 3 -1 -0.137108 0.488322 -2.434445 Rho 0.5029359E-01 |GRAD(Rho)| 0.1878262E-12 GRAD(Rho)x -0.8067412E-13 GRAD(Rho)y 0.5546163E-13 GRAD(Rho)z -0.1602947E-12 Laplacian 0.1891527E+00 (-1/4)Del**2(Rho)) -0.4728817E-01 Diamond 0.9694031E-01 Metallicity 0.2496443E+01 Ellipticity 0.7945170E-02 Gb(Abramov) 0.5120082E-01 Vb(Abramov) -0.5511347E-01 Hb(Abramov) -0.3912650E-02 Ex_ueg -0.1371098E-01 Ec_ueg -0.2431109E-02 Delta_ex -0.1560489E-01 Delta_ec 0.5657698E-02 Delta_et -0.5975688E-01 Pxc 0.5639806E+01 Qxc -0.2758169E+01 3,-1 62 3 -1 0.586673 -0.566243 -3.197286 Rho 0.1152016E+00 |GRAD(Rho)| 0.1950833E-15 GRAD(Rho)x -0.1198247E-15 GRAD(Rho)y 0.1314324E-15 GRAD(Rho)z -0.8015642E-16 Laplacian 0.4723209E+00 (-1/4)Del**2(Rho)) -0.1180802E+00 Diamond 0.7004744E+00 Metallicity 0.3979302E+01 Ellipticity 0.5451833E-02 Gb(Abramov) 0.1570330E+00 Vb(Abramov) -0.1959857E+00 Hb(Abramov) -0.3895273E-01 Ex_ueg -0.4139963E-01 Ec_ueg -0.6254775E-02 Delta_ex -0.4764014E-01 Delta_ec 0.1285414E-01 Delta_et -0.1641624E+00 Pxc 0.6618884E+01 Qxc -0.3706209E+01 3,-1 63 3 +1 0.671653 -0.534375 -1.555336 Rho 0.9097094E-02 |GRAD(Rho)| 0.9765391E-17 GRAD(Rho)x 0.3465149E-17 GRAD(Rho)y -0.9064939E-17 GRAD(Rho)z -0.1087423E-17 Laplacian 0.3724390E-01 (-1/4)Del**2(Rho)) -0.9310975E-02 Diamond 0.1068009E-02 Metallicity 0.7334927E+00 Ellipticity -0.1408868E+01 Gb(Abramov) 0.7345572E-02 Vb(Abramov) -0.5380169E-02 Hb(Abramov) 0.1965403E-02 Ex_ueg -0.1402562E-02 Ec_ueg -0.3272759E-03 Delta_ex -0.1722521E-02 Delta_ec 0.5180754E-03 Delta_et -0.3597252E-02 Pxc 0.4285563E+01 Qxc -0.3324846E+01 3,+1 64 3 -1 0.400114 -0.476564 -0.018624 Rho 0.1375065E+00 |GRAD(Rho)| 0.1144950E-15 GRAD(Rho)x -0.1132418E-15 GRAD(Rho)y -0.1676852E-16 GRAD(Rho)z -0.2053591E-17 Laplacian 0.7133508E+00 (-1/4)Del**2(Rho)) -0.1783377E+00 Diamond 0.1561080E+01 Metallicity 0.3538739E+01 Ellipticity 0.1324865E-01 Gb(Abramov) 0.2240736E+00 Vb(Abramov) -0.2698094E+00 Hb(Abramov) -0.4573586E-01 Ex_ueg -0.5241825E-01 Ec_ueg -0.7648610E-02 Delta_ex -0.7789185E-01 Delta_ec 0.2365965E-01 Delta_et -0.3214606E+00 Pxc 0.6853305E+01 Qxc -0.3292181E+01 3,-1 65 3 +1 1.660097 -2.260683 0.014448 Rho 0.2790105E-01 |GRAD(Rho)| 0.5957960E-16 GRAD(Rho)x -0.2773199E-16 GRAD(Rho)y 0.5249771E-16 GRAD(Rho)z 0.4965484E-17 Laplacian 0.1108477E+00 (-1/4)Del**2(Rho)) -0.2771194E-01 Diamond 0.1743782E-01 Metallicity 0.1595587E+01 Ellipticity -0.5785812E+01 Gb(Abramov) 0.2584409E-01 Vb(Abramov) -0.2397625E-01 Hb(Abramov) 0.1867843E-02 Ex_ueg -0.6249988E-02 Ec_ueg -0.1235858E-02 Delta_ex -0.7153837E-02 Delta_ec 0.1977088E-02 Delta_et -0.1790836E-01 Pxc 0.5057205E+01 Qxc -0.3618370E+01 3,+1 66 3 +3 1.667373 -0.078897 1.520904 Rho 0.4050381E-02 |GRAD(Rho)| 0.1390648E-15 GRAD(Rho)x -0.1368418E-15 GRAD(Rho)y 0.1157124E-16 GRAD(Rho)z 0.2189653E-16 Laplacian 0.1670655E-01 (-1/4)Del**2(Rho)) -0.4176639E-02 Diamond 0.1185536E-03 Metallicity 0.4245082E+00 Ellipticity -0.3673434E+00 Gb(Abramov) 0.3079929E-02 Vb(Abramov) -0.1983219E-02 Hb(Abramov) 0.1096710E-02 Ex_ueg -0.4768475E-03 Ec_ueg -0.1062785E-03 Delta_ex -0.5828550E-03 Delta_ec 0.1418156E-03 Delta_et -0.8810008E-03 Pxc 0.4486772E+01 Qxc -0.4109949E+01 3,+3 67 3 -1 0.616353 -0.581239 3.221914 Rho 0.1445065E+00 |GRAD(Rho)| 0.1170294E-12 GRAD(Rho)x 0.1112134E-12 GRAD(Rho)y 0.3580198E-13 GRAD(Rho)z 0.6757622E-14 Laplacian 0.5896094E+00 (-1/4)Del**2(Rho)) -0.1474024E+00 Diamond 0.1135992E+01 Metallicity 0.4650800E+01 Ellipticity 0.2143110E-01 Gb(Abramov) 0.2125247E+00 Vb(Abramov) -0.2776471E+00 Hb(Abramov) -0.6512236E-01 Ex_ueg -0.5600604E-01 Ec_ueg -0.8092782E-02 Delta_ex -0.6267394E-01 Delta_ec 0.1497705E-01 Delta_et -0.1980536E+00 Pxc 0.6920492E+01 Qxc -0.4184665E+01 3,-1 68 3 +1 -0.820681 1.641873 0.040475 Rho 0.8417405E-02 |GRAD(Rho)| 0.9776950E-16 GRAD(Rho)x 0.4842149E-16 GRAD(Rho)y -0.7029399E-16 GRAD(Rho)z -0.4767588E-16 Laplacian 0.3302821E-01 (-1/4)Del**2(Rho)) -0.8257054E-02 Diamond 0.8563129E-03 Metallicity 0.7267056E+00 Ellipticity -0.1428525E+01 Gb(Abramov) 0.6504777E-02 Vb(Abramov) -0.4752500E-02 Hb(Abramov) 0.1752277E-02 Ex_ueg -0.1264608E-02 Ec_ueg -0.2968178E-03 Delta_ex -0.1499721E-02 Delta_ec 0.4630296E-03 Delta_et -0.3148775E-02 Pxc 0.4260555E+01 Qxc -0.3238931E+01 3,+1 69 3 +1 1.493865 0.484045 -0.813787 Rho 0.6585055E-02 |GRAD(Rho)| 0.5839972E-14 GRAD(Rho)x 0.5484187E-14 GRAD(Rho)y -0.1191617E-14 GRAD(Rho)z 0.1615246E-14 Laplacian 0.2490029E-01 (-1/4)Del**2(Rho)) -0.6225073E-02 Diamond 0.5052505E-03 Metallicity 0.6402375E+00 Ellipticity -0.1469618E+01 Gb(Abramov) 0.4814303E-02 Vb(Abramov) -0.3403533E-02 Hb(Abramov) 0.1410770E-02 Ex_ueg -0.9115860E-03 Ec_ueg -0.2157492E-03 Delta_ex -0.1090989E-02 Delta_ec 0.3984012E-03 Delta_et -0.2499239E-02 Pxc 0.4225211E+01 Qxc -0.2738418E+01 3,+1 70 3 +1 -1.939075 0.495507 -0.855065 Rho 0.5900431E-02 |GRAD(Rho)| 0.9788549E-17 GRAD(Rho)x 0.5021211E-17 GRAD(Rho)y 0.6722053E-17 GRAD(Rho)z -0.5041540E-17 Laplacian 0.2300503E-01 (-1/4)Del**2(Rho)) -0.5751256E-02 Diamond 0.5140382E-03 Metallicity 0.5771163E+00 Ellipticity -0.1772696E+01 Gb(Abramov) 0.4387362E-02 Vb(Abramov) -0.3023467E-02 Hb(Abramov) 0.1363895E-02 Ex_ueg -0.7874628E-03 Ec_ueg -0.1858655E-03 Delta_ex -0.1065026E-02 Delta_ec 0.5166539E-03 Delta_et -0.3030831E-02 Pxc 0.4236735E+01 Qxc -0.2061392E+01 3,+1 71 3 +1 1.577808 0.409150 0.767684 Rho 0.6519626E-02 |GRAD(Rho)| 0.3660251E-15 GRAD(Rho)x -0.3455121E-15 GRAD(Rho)y 0.8455147E-16 GRAD(Rho)z 0.8629500E-16 Laplacian 0.2463302E-01 (-1/4)Del**2(Rho)) -0.6158254E-02 Diamond 0.4873329E-03 Metallicity 0.6365024E+00 Ellipticity -0.1452454E+01 Gb(Abramov) 0.4758793E-02 Vb(Abramov) -0.3359332E-02 Hb(Abramov) 0.1399461E-02 Ex_ueg -0.8995293E-03 Ec_ueg -0.2128835E-03 Delta_ex -0.1072925E-02 Delta_ec 0.3874061E-03 Delta_et -0.2428881E-02 Pxc 0.4225454E+01 Qxc -0.2769511E+01 3,+1 72 3 +1 1.954680 0.181682 2.213563 Rho 0.5250941E-02 |GRAD(Rho)| 0.7086404E-16 GRAD(Rho)x -0.4281953E-16 GRAD(Rho)y 0.5508722E-16 GRAD(Rho)z -0.1239347E-16 Laplacian 0.2143202E-01 (-1/4)Del**2(Rho)) -0.5358005E-02 Diamond 0.5405551E-03 Metallicity 0.5100490E+00 Ellipticity -0.3905290E+01 Gb(Abramov) 0.4027477E-02 Vb(Abramov) -0.2696950E-02 Hb(Abramov) 0.1330527E-02 Ex_ueg -0.6740641E-03 Ec_ueg -0.1577277E-03 Delta_ex -0.1081599E-02 Delta_ec 0.6853542E-03 Delta_et -0.3772950E-02 Pxc 0.4273593E+01 Qxc -0.1578160E+01 3,+1 73 3 +1 2.197079 -0.109707 2.035886 Rho 0.5221122E-02 |GRAD(Rho)| 0.1112597E-16 GRAD(Rho)x 0.8239293E-17 GRAD(Rho)y 0.3928313E-17 GRAD(Rho)z -0.6361577E-17 Laplacian 0.2102590E-01 (-1/4)Del**2(Rho)) -0.5256474E-02 Diamond 0.5087673E-03 Metallicity 0.5149895E+00 Ellipticity -0.2852928E+01 Gb(Abramov) 0.3955488E-02 Vb(Abramov) -0.2654501E-02 Hb(Abramov) 0.1300987E-02 Ex_ueg -0.6689652E-03 Ec_ueg -0.1564410E-03 Delta_ex -0.1044598E-02 Delta_ec 0.6449819E-03 Delta_et -0.3555473E-02 Pxc 0.4276151E+01 Qxc -0.1619577E+01 3,+1 74 3 +1 2.927008 -2.039433 -0.008292 Rho 0.1137363E-01 |GRAD(Rho)| 0.5547138E-11 GRAD(Rho)x -0.2040847E-11 GRAD(Rho)y -0.5156619E-11 GRAD(Rho)z 0.1223270E-12 Laplacian 0.5158415E-01 (-1/4)Del**2(Rho)) -0.1289604E-01 Diamond 0.1652017E-02 Metallicity 0.7684137E+00 Ellipticity -0.1200555E+01 Gb(Abramov) 0.1024894E-01 Vb(Abramov) -0.7601843E-02 Hb(Abramov) 0.2647097E-02 Ex_ueg -0.1889080E-02 Ec_ueg -0.4307311E-03 Delta_ex -0.2416716E-02 Delta_ec 0.5207596E-03 Delta_et -0.3971350E-02 Pxc 0.4385752E+01 Qxc -0.4640752E+01 3,+1 75 3 -1 0.700663 0.837720 -3.489039 Rho 0.7621070E-01 |GRAD(Rho)| 0.1668658E-15 GRAD(Rho)x 0.1556694E-15 GRAD(Rho)y 0.6007835E-16 GRAD(Rho)z 0.1350382E-17 Laplacian 0.3038056E+00 (-1/4)Del**2(Rho)) -0.7595141E-01 Diamond 0.2685223E+00 Metallicity 0.3107257E+01 Ellipticity 0.2426410E-01 Gb(Abramov) 0.8996770E-01 Vb(Abramov) -0.1039840E+00 Hb(Abramov) -0.1401629E-01 Ex_ueg -0.2386380E-01 Ec_ueg -0.3908172E-02 Delta_ex -0.2773787E-01 Delta_ec 0.8819639E-02 Delta_et -0.1032540E+00 Pxc 0.6106130E+01 Qxc -0.3145012E+01 3,-1 76 3 +1 0.627936 1.188725 -2.422163 Rho 0.2250630E-01 |GRAD(Rho)| 0.8016727E-16 GRAD(Rho)x -0.2670367E-17 GRAD(Rho)y 0.7171093E-18 GRAD(Rho)z -0.8011958E-16 Laplacian 0.8584707E-01 (-1/4)Del**2(Rho)) -0.2146177E-01 Diamond 0.1046979E-01 Metallicity 0.1440106E+01 Ellipticity -0.5771196E+01 Gb(Abramov) 0.1945905E-01 Vb(Abramov) -0.1745633E-01 Hb(Abramov) 0.2002718E-02 Ex_ueg -0.4693072E-02 Ec_ueg -0.9639988E-03 Delta_ex -0.5286101E-02 Delta_ec 0.1624838E-02 Delta_et -0.1392514E-01 Pxc 0.4868338E+01 Qxc -0.3253310E+01 3,+1 77 3 +3 1.577381 0.047167 -1.590517 Rho 0.4118076E-02 |GRAD(Rho)| 0.2885275E-15 GRAD(Rho)x -0.5705385E-16 GRAD(Rho)y -0.1293338E-15 GRAD(Rho)z 0.2515269E-15 Laplacian 0.1703529E-01 (-1/4)Del**2(Rho)) -0.4258823E-02 Diamond 0.1308495E-03 Metallicity 0.4279775E+00 Ellipticity -0.3700885E+00 Gb(Abramov) 0.3142995E-02 Vb(Abramov) -0.2027168E-02 Hb(Abramov) 0.1115828E-02 Ex_ueg -0.4875033E-03 Ec_ueg -0.1091597E-03 Delta_ex -0.6055272E-03 Delta_ec 0.1600990E-03 Delta_et -0.9748643E-03 Pxc 0.4465964E+01 Qxc -0.3782204E+01 3,+3 78 3 +1 0.662981 1.667662 -0.025637 Rho 0.7309667E-02 |GRAD(Rho)| 0.1208525E-15 GRAD(Rho)x 0.4709703E-16 GRAD(Rho)y 0.6088102E-16 GRAD(Rho)z 0.9317027E-16 Laplacian 0.2846338E-01 (-1/4)Del**2(Rho)) -0.7115844E-02 Diamond 0.6383209E-03 Metallicity 0.6665347E+00 Ellipticity -0.1432617E+01 Gb(Abramov) 0.5534389E-02 Vb(Abramov) -0.3952934E-02 Hb(Abramov) 0.1581455E-02 Ex_ueg -0.1047728E-02 Ec_ueg -0.2476223E-03 Delta_ex -0.1263848E-02 Delta_ec 0.4283272E-03 Delta_et -0.2783530E-02 Pxc 0.4231153E+01 Qxc -0.2950661E+01 3,+1 79 3 -1 1.642516 2.795990 -0.912235 Rho 0.1296935E+00 |GRAD(Rho)| 0.5222024E-13 GRAD(Rho)x -0.3364541E-13 GRAD(Rho)y 0.1443461E-13 GRAD(Rho)z -0.3723683E-13 Laplacian 0.5330990E+00 (-1/4)Del**2(Rho)) -0.1332748E+00 Diamond 0.8974211E+00 Metallicity 0.4295387E+01 Ellipticity 0.2095042E-01 Gb(Abramov) 0.1842610E+00 Vb(Abramov) -0.2352471E+00 Hb(Abramov) -0.5098619E-01 Ex_ueg -0.4848522E-01 Ec_ueg -0.7156574E-02 Delta_ex -0.5514089E-01 Delta_ec 0.1380408E-01 Delta_et -0.1793750E+00 Pxc 0.6774920E+01 Qxc -0.3994535E+01 3,-1 80 3 -1 1.649639 2.762790 0.881474 Rho 0.1236990E+00 |GRAD(Rho)| 0.3329428E-15 GRAD(Rho)x 0.3212203E-16 GRAD(Rho)y 0.3363060E-16 GRAD(Rho)z 0.3296788E-15 Laplacian 0.5122177E+00 (-1/4)Del**2(Rho)) -0.1280544E+00 Diamond 0.8169509E+00 Metallicity 0.4131449E+01 Ellipticity 0.1064470E-01 Gb(Abramov) 0.1735447E+00 Vb(Abramov) -0.2190349E+00 Hb(Abramov) -0.4549024E-01 Ex_ueg -0.4552047E-01 Ec_ueg -0.6781801E-02 Delta_ex -0.5241046E-01 Delta_ec 0.1346819E-01 Delta_et -0.1737592E+00 Pxc 0.6712150E+01 Qxc -0.3891426E+01 3,-1 81 3 -1 2.331222 3.237218 -2.211869 Rho 0.2069944E+00 |GRAD(Rho)| 0.1173680E-14 GRAD(Rho)x -0.8568450E-15 GRAD(Rho)y -0.7359564E-15 GRAD(Rho)z 0.3189181E-15 Laplacian 0.7528651E+00 (-1/4)Del**2(Rho)) -0.1882163E+00 Diamond 0.2238549E+01 Metallicity 0.6629697E+01 Ellipticity 0.1672297E-02 Gb(Abramov) 0.3334470E+00 Vb(Abramov) -0.4786777E+00 Hb(Abramov) -0.1452307E+00 Ex_ueg -0.9043361E-01 Ec_ueg -0.1218745E-01 Delta_ex -0.8760722E-01 Delta_ec 0.1746794E-01 Delta_et -0.2404916E+00 Pxc 0.7420226E+01 Qxc -0.5015315E+01 3,-1 82 3 -1 2.287848 3.214989 2.195047 Rho 0.2066084E+00 |GRAD(Rho)| 0.1344322E-12 GRAD(Rho)x -0.8205185E-13 GRAD(Rho)y -0.9776246E-13 GRAD(Rho)z -0.4221382E-13 Laplacian 0.7629183E+00 (-1/4)Del**2(Rho)) -0.1907296E+00 Diamond 0.2258392E+01 Metallicity 0.6522014E+01 Ellipticity 0.1263229E-02 Gb(Abramov) 0.3344766E+00 Vb(Abramov) -0.4782236E+00 Hb(Abramov) -0.1437470E+00 Ex_ueg -0.9020883E-01 Ec_ueg -0.1216147E-01 Delta_ex -0.8870233E-01 Delta_ec 0.1765274E-01 Delta_et -0.2427942E+00 Pxc 0.7417592E+01 Qxc -0.5024849E+01 3,-1 83 3 -1 2.221720 -3.167743 2.286578 Rho 0.2065347E+00 |GRAD(Rho)| 0.2266123E-13 GRAD(Rho)x 0.2562485E-14 GRAD(Rho)y 0.1713739E-13 GRAD(Rho)z -0.1460393E-13 Laplacian 0.7741812E+00 (-1/4)Del**2(Rho)) -0.1935453E+00 Diamond 0.2287691E+01 Metallicity 0.6423310E+01 Ellipticity 0.1807586E-01 Gb(Abramov) 0.3362304E+00 Vb(Abramov) -0.4789155E+00 Hb(Abramov) -0.1426851E+00 Ex_ueg -0.9016591E-01 Ec_ueg -0.1215651E-01 Delta_ex -0.8998371E-01 Delta_ec 0.1787961E-01 Delta_et -0.2457795E+00 Pxc 0.7417089E+01 Qxc -0.5032757E+01 3,-1 84 3 -1 2.642897 -2.001284 -1.512013 Rho 0.6758945E-01 |GRAD(Rho)| 0.6033937E-14 GRAD(Rho)x 0.2751068E-14 GRAD(Rho)y -0.3197676E-14 GRAD(Rho)z -0.4314497E-14 Laplacian 0.2702161E+00 (-1/4)Del**2(Rho)) -0.6755402E-01 Diamond 0.2058259E+00 Metallicity 0.2860005E+01 Ellipticity 0.2057881E-01 Gb(Abramov) 0.7723682E-01 Vb(Abramov) -0.8691963E-01 Hb(Abramov) -0.9682804E-02 Ex_ueg -0.2033404E-01 Ec_ueg -0.3408045E-02 Delta_ex -0.2400039E-01 Delta_ec 0.8005131E-02 Delta_et -0.9112498E-01 Pxc 0.5966482E+01 Qxc -0.2998126E+01 3,-1 85 3 -1 2.636940 -1.963751 1.499547 Rho 0.8431525E-01 |GRAD(Rho)| 0.1804717E-15 GRAD(Rho)x -0.8954832E-16 GRAD(Rho)y -0.1484866E-15 GRAD(Rho)z 0.5002873E-16 Laplacian 0.3401939E+00 (-1/4)Del**2(Rho)) -0.8504849E-01 Diamond 0.3408797E+00 Metallicity 0.3283952E+01 Ellipticity 0.2560001E-01 Gb(Abramov) 0.1032482E+00 Vb(Abramov) -0.1214479E+00 Hb(Abramov) -0.1819970E-01 Ex_ueg -0.2730612E-01 Ec_ueg -0.4385168E-02 Delta_ex -0.3180296E-01 Delta_ec 0.9710043E-02 Delta_et -0.1162838E+00 Pxc 0.6226926E+01 Qxc -0.3275264E+01 3,-1 86 3 -1 3.525945 -0.808894 0.687036 Rho 0.1576440E+00 |GRAD(Rho)| 0.3289715E-11 GRAD(Rho)x -0.3712513E-12 GRAD(Rho)y -0.2091717E-11 GRAD(Rho)z 0.2511796E-11 Laplacian 0.6013089E+00 (-1/4)Del**2(Rho)) -0.1503272E+00 Diamond 0.1286295E+01 Metallicity 0.5272031E+01 Ellipticity 0.4030157E-01 Gb(Abramov) 0.2323064E+00 Vb(Abramov) -0.3142857E+00 Hb(Abramov) -0.8197922E-01 Ex_ueg -0.6289580E-01 Ec_ueg -0.8934622E-02 Delta_ex -0.6530408E-01 Delta_ec 0.1494789E-01 Delta_et -0.2000258E+00 Pxc 0.7039559E+01 Qxc -0.4368781E+01 3,-1 87 3 +1 2.480570 1.781959 0.025344 Rho 0.1220704E-01 |GRAD(Rho)| 0.2888563E-11 GRAD(Rho)x 0.2231773E-11 GRAD(Rho)y -0.1796316E-11 GRAD(Rho)z 0.3690963E-12 Laplacian 0.6003022E-01 (-1/4)Del**2(Rho)) -0.1500756E-01 Diamond 0.2413745E-02 Metallicity 0.7428945E+00 Ellipticity -0.1255948E+01 Gb(Abramov) 0.1186321E-01 Vb(Abramov) -0.8718862E-02 Hb(Abramov) 0.3144347E-02 Ex_ueg -0.2075864E-02 Ec_ueg -0.4691351E-03 Delta_ex -0.2950325E-02 Delta_ec 0.7545909E-03 Delta_et -0.5700609E-02 Pxc 0.4424874E+01 Qxc -0.3909833E+01 3,+1 88 3 -1 3.251486 0.552593 0.666555 Rho 0.9744427E-01 |GRAD(Rho)| 0.1536899E-15 GRAD(Rho)x 0.1513207E-15 GRAD(Rho)y -0.1968166E-16 GRAD(Rho)z 0.1830946E-16 Laplacian 0.3976435E+00 (-1/4)Del**2(Rho)) -0.9941086E-01 Diamond 0.4760550E+00 Metallicity 0.3575854E+01 Ellipticity 0.5288163E-02 Gb(Abramov) 0.1255204E+00 Vb(Abramov) -0.1516299E+00 Hb(Abramov) -0.2610951E-01 Ex_ueg -0.3311770E-01 Ec_ueg -0.5170497E-02 Delta_ex -0.3846063E-01 Delta_ec 0.1104744E-01 Delta_et -0.1364007E+00 Pxc 0.6405129E+01 Qxc -0.3481408E+01 3,-1 89 3 -1 3.252281 0.543139 -0.679265 Rho 0.1440703E+00 |GRAD(Rho)| 0.2204660E-11 GRAD(Rho)x -0.8492154E-12 GRAD(Rho)y 0.1568941E-11 GRAD(Rho)z -0.1295293E-11 Laplacian 0.5965189E+00 (-1/4)Del**2(Rho)) -0.1491297E+00 Diamond 0.1132581E+01 Metallicity 0.4573825E+01 Ellipticity 0.2524643E-01 Gb(Abramov) 0.2131020E+00 Vb(Abramov) -0.2770743E+00 Hb(Abramov) -0.6397231E-01 Ex_ueg -0.5578073E-01 Ec_ueg -0.8065013E-02 Delta_ex -0.6322945E-01 Delta_ec 0.1492818E-01 Delta_et -0.1968050E+00 Pxc 0.6916385E+01 Qxc -0.4235577E+01 3,-1 90 3 +1 -2.588230 0.647514 -0.252499 Rho 0.5325623E-02 |GRAD(Rho)| 0.4543341E-15 GRAD(Rho)x 0.9966528E-16 GRAD(Rho)y -0.1077697E-15 GRAD(Rho)z 0.4299675E-15 Laplacian 0.2018250E-01 (-1/4)Del**2(Rho)) -0.5045626E-02 Diamond 0.3826637E-03 Metallicity 0.5545263E+00 Ellipticity -0.1690397E+01 Gb(Abramov) 0.3830072E-02 Vb(Abramov) -0.2614519E-02 Hb(Abramov) 0.1215553E-02 Ex_ueg -0.6868770E-03 Ec_ueg -0.1609525E-03 Delta_ex -0.9051161E-03 Delta_ec 0.4379125E-03 Delta_et -0.2502994E-02 Pxc 0.4267576E+01 Qxc -0.2066888E+01 3,+1 91 3 -1 -2.530898 1.859730 -1.746717 Rho 0.2111186E+00 |GRAD(Rho)| 0.9431278E-15 GRAD(Rho)x 0.5533226E-15 GRAD(Rho)y 0.7527616E-15 GRAD(Rho)z -0.1291285E-15 Laplacian 0.8139131E+00 (-1/4)Del**2(Rho)) -0.2034783E+00 Diamond 0.2447840E+01 Metallicity 0.6337421E+01 Ellipticity 0.6640496E-02 Gb(Abramov) 0.3505734E+00 Vb(Abramov) -0.4976686E+00 Hb(Abramov) -0.1470951E+00 Ex_ueg -0.9284396E-01 Ec_ueg -0.1246552E-01 Delta_ex -0.9500047E-01 Delta_ec 0.1843918E-01 Delta_et -0.2529500E+00 Pxc 0.7448063E+01 Qxc -0.5152098E+01 3,-1 92 3 -1 -2.368673 1.764539 1.656306 Rho 0.1936867E+00 |GRAD(Rho)| 0.1173573E-13 GRAD(Rho)x -0.2447749E-14 GRAD(Rho)y 0.1066416E-13 GRAD(Rho)z 0.4244015E-14 Laplacian 0.7446755E+00 (-1/4)Del**2(Rho)) -0.1861689E+00 Diamond 0.2013392E+01 Metallicity 0.5999922E+01 Ellipticity 0.3556128E-01 Gb(Abramov) 0.3102790E+00 Vb(Abramov) -0.4343892E+00 Hb(Abramov) -0.1241102E+00 Ex_ueg -0.8276588E-01 Ec_ueg -0.1129664E-01 Delta_ex -0.8497787E-01 Delta_ec 0.1720494E-01 Delta_et -0.2343062E+00 Pxc 0.7326592E+01 Qxc -0.4939155E+01 3,-1 93 3 +3 -1.663719 -0.077081 1.840593 Rho 0.5241076E-02 |GRAD(Rho)| 0.2944710E-15 GRAD(Rho)x 0.5285486E-17 GRAD(Rho)y 0.2939543E-15 GRAD(Rho)z 0.1661540E-16 Laplacian 0.2109604E-01 (-1/4)Del**2(Rho)) -0.5274009E-02 Diamond 0.2382848E-03 Metallicity 0.5165509E+00 Ellipticity -0.4126559E+00 Gb(Abramov) 0.3970055E-02 Vb(Abramov) -0.2666101E-02 Hb(Abramov) 0.1303954E-02 Ex_ueg -0.6723763E-03 Ec_ueg -0.1573020E-03 Delta_ex -0.8092209E-03 Delta_ec 0.2192678E-03 Delta_et -0.1386700E-02 Pxc 0.4274429E+01 Qxc -0.3690560E+01 3,+3 94 3 +1 0.062525 2.102681 -2.941546 Rho 0.1147423E-01 |GRAD(Rho)| 0.1360108E-16 GRAD(Rho)x -0.1009528E-16 GRAD(Rho)y -0.3623760E-17 GRAD(Rho)z -0.8363200E-17 Laplacian 0.5172251E-01 (-1/4)Del**2(Rho)) -0.1293063E-01 Diamond 0.1655270E-02 Metallicity 0.7776892E+00 Ellipticity -0.1194549E+01 Gb(Abramov) 0.1029642E-01 Vb(Abramov) -0.7662213E-02 Hb(Abramov) 0.2634208E-02 Ex_ueg -0.1911392E-02 Ec_ueg -0.4353523E-03 Delta_ex -0.2422447E-02 Delta_ec 0.5104472E-03 Delta_et -0.3912232E-02 Pxc 0.4390449E+01 Qxc -0.4745736E+01 3,+1 95 3 +1 -1.157661 -0.551258 1.715632 Rho 0.6443185E-02 |GRAD(Rho)| 0.2608606E-17 GRAD(Rho)x -0.1734723E-17 GRAD(Rho)y -0.1301043E-17 GRAD(Rho)z -0.1450120E-17 Laplacian 0.2546954E-01 (-1/4)Del**2(Rho)) -0.6367385E-02 Diamond 0.5944722E-03 Metallicity 0.6036146E+00 Ellipticity -0.1635961E+01 Gb(Abramov) 0.4885498E-02 Vb(Abramov) -0.3403610E-02 Hb(Abramov) 0.1481887E-02 Ex_ueg -0.8854944E-03 Ec_ueg -0.2095380E-03 Delta_ex -0.1171489E-02 Delta_ec 0.5171121E-03 Delta_et -0.3140946E-02 Pxc 0.4225937E+01 Qxc -0.2265445E+01 3,+1 96 3 -1 -0.596033 -2.163825 -2.487876 Rho 0.6237838E-02 |GRAD(Rho)| 0.1394135E-16 GRAD(Rho)x 0.7511346E-17 GRAD(Rho)y -0.8409631E-17 GRAD(Rho)z 0.8198720E-17 Laplacian 0.2446333E-01 (-1/4)Del**2(Rho)) -0.6115833E-02 Diamond 0.9852108E-03 Metallicity 0.5954167E+00 Ellipticity 0.8313698E+00 Gb(Abramov) 0.4684133E-02 Vb(Abramov) -0.3252434E-02 Hb(Abramov) 0.1431699E-02 Ex_ueg -0.8480676E-03 Ec_ueg -0.2005649E-03 Delta_ex -0.1420263E-02 Delta_ec 0.1038206E-02 Delta_et -0.5919721E-02 Pxc 0.4228396E+01 Qxc -0.1367998E+01 3,-1 97 3 -1 -0.068112 0.467479 2.439548 Rho 0.4926833E-01 |GRAD(Rho)| 0.2681140E-15 GRAD(Rho)x 0.1461481E-15 GRAD(Rho)y 0.2238342E-15 GRAD(Rho)z -0.2059349E-16 Laplacian 0.1834298E+00 (-1/4)Del**2(Rho)) -0.4585744E-01 Diamond 0.9132915E-01 Metallicity 0.2487462E+01 Ellipticity 0.1789131E-01 Gb(Abramov) 0.4958307E-01 Vb(Abramov) -0.5330869E-01 Hb(Abramov) -0.3725625E-02 Ex_ueg -0.1333958E-01 Ec_ueg -0.2374470E-02 Delta_ex -0.1505094E-01 Delta_ec 0.5480876E-02 Delta_et -0.5757648E-01 Pxc 0.5617919E+01 Qxc -0.2746082E+01 3,-1 98 3 -1 -0.729141 0.893778 3.576974 Rho 0.1077680E+00 |GRAD(Rho)| 0.1287306E-12 GRAD(Rho)x 0.5340572E-13 GRAD(Rho)y 0.1163055E-12 GRAD(Rho)z 0.1387211E-13 Laplacian 0.4118386E+00 (-1/4)Del**2(Rho)) -0.1029596E+00 Diamond 0.5614866E+00 Metallicity 0.4083534E+01 Ellipticity 0.3516076E-01 Gb(Abramov) 0.1387130E+00 Vb(Abramov) -0.1744663E+00 Hb(Abramov) -0.3575332E-01 Ex_ueg -0.3787666E-01 Ec_ueg -0.5797968E-02 Delta_ex -0.4085803E-01 Delta_ec 0.1131977E-01 Delta_et -0.1427040E+00 Pxc 0.6532748E+01 Qxc -0.3609439E+01 3,-1 99 3 +1 -0.003975 2.105382 2.911159 Rho 0.1183610E-01 |GRAD(Rho)| 0.6076928E-17 GRAD(Rho)x 0.4715803E-17 GRAD(Rho)y -0.2091324E-17 GRAD(Rho)z -0.3211949E-17 Laplacian 0.5435904E-01 (-1/4)Del**2(Rho)) -0.1358976E-01 Diamond 0.1742790E-02 Metallicity 0.7792724E+00 Ellipticity -0.1155814E+01 Gb(Abramov) 0.1082486E-01 Vb(Abramov) -0.8059961E-02 Hb(Abramov) 0.2764899E-02 Ex_ueg -0.1992187E-02 Ec_ueg -0.4520082E-03 Delta_ex -0.2546148E-02 Delta_ec 0.4981715E-03 Delta_et -0.3883450E-02 Pxc 0.4407412E+01 Qxc -0.5110987E+01 3,+1 100 3 -1 -0.722276 0.910998 -3.578305 Rho 0.1460242E+00 |GRAD(Rho)| 0.8344784E-12 GRAD(Rho)x -0.4770818E-12 GRAD(Rho)y 0.6846460E-12 GRAD(Rho)z 0.2626351E-14 Laplacian 0.5512250E+00 (-1/4)Del**2(Rho)) -0.1378063E+00 Diamond 0.1088772E+01 Metallicity 0.5062039E+01 Ellipticity 0.5792988E-01 Gb(Abramov) 0.2081343E+00 Vb(Abramov) -0.2784623E+00 Hb(Abramov) -0.7032801E-01 Ex_ueg -0.5679168E-01 Ec_ueg -0.8189491E-02 Delta_ex -0.5888160E-01 Delta_ec 0.1421151E-01 Delta_et -0.1887595E+00 Pxc 0.6934702E+01 Qxc -0.4143234E+01 3,-1 101 3 +1 1.997454 0.143793 -2.166520 Rho 0.5074629E-02 |GRAD(Rho)| 0.3165464E-13 GRAD(Rho)x 0.2542305E-13 GRAD(Rho)y 0.3167301E-14 GRAD(Rho)z 0.1859176E-13 Laplacian 0.2067157E-01 (-1/4)Del**2(Rho)) -0.5167893E-02 Diamond 0.4842504E-03 Metallicity 0.4995513E+00 Ellipticity -0.2785665E+01 Gb(Abramov) 0.3875533E-02 Vb(Abramov) -0.2583174E-02 Hb(Abramov) 0.1292360E-02 Ex_ueg -0.6440567E-03 Ec_ueg -0.1501258E-03 Delta_ex -0.1023878E-02 Delta_ec 0.6387255E-03 Delta_et -0.3489208E-02 Pxc 0.4290114E+01 Qxc -0.1603002E+01 3,+1 102 3 -1 -2.316004 0.328807 -0.736328 Rho 0.6273524E-02 |GRAD(Rho)| 0.2121010E-16 GRAD(Rho)x 0.9134403E-17 GRAD(Rho)y -0.1187201E-16 GRAD(Rho)z 0.1501620E-16 Laplacian 0.2391657E-01 (-1/4)Del**2(Rho)) -0.5979141E-02 Diamond 0.9156235E-03 Metallicity 0.6148468E+00 Ellipticity 0.2777591E+00 Gb(Abramov) 0.4598804E-02 Vb(Abramov) -0.3218466E-02 Hb(Abramov) 0.1380338E-02 Ex_ueg -0.8545428E-03 Ec_ueg -0.2021228E-03 Delta_ex -0.1352210E-02 Delta_ec 0.9476501E-03 Delta_et -0.5432426E-02 Pxc 0.4227840E+01 Qxc -0.1426909E+01 3,-1 103 3 -1 1.387398 -1.810713 -0.863059 Rho 0.5689565E-01 |GRAD(Rho)| 0.2043623E-15 GRAD(Rho)x 0.4166852E-16 GRAD(Rho)y -0.1572072E-15 GRAD(Rho)z -0.1237481E-15 Laplacian 0.2175791E+00 (-1/4)Del**2(Rho)) -0.5439478E-01 Diamond 0.1320583E+00 Metallicity 0.2665596E+01 Ellipticity 0.1784943E-01 Gb(Abramov) 0.6042894E-01 Vb(Abramov) -0.6646310E-01 Hb(Abramov) -0.6034161E-02 Ex_ueg -0.1616183E-01 Ec_ueg -0.2799442E-02 Delta_ex -0.1852567E-01 Delta_ec 0.6514447E-02 Delta_et -0.7104030E-01 Pxc 0.5773232E+01 Qxc -0.2843782E+01 3,-1 104 3 +1 -0.794668 1.335748 -2.397493 Rho 0.2705823E-01 |GRAD(Rho)| 0.4287509E-16 GRAD(Rho)x 0.1917342E-16 GRAD(Rho)y -0.2424157E-16 GRAD(Rho)z 0.2971531E-16 Laplacian 0.1048337E+00 (-1/4)Del**2(Rho)) -0.2620843E-01 Diamond 0.1495582E-01 Metallicity 0.1603040E+01 Ellipticity -0.3944223E+01 Gb(Abramov) 0.2447448E-01 Vb(Abramov) -0.2274054E-01 Hb(Abramov) 0.1733948E-02 Ex_ueg -0.5999535E-02 Ec_ueg -0.1192891E-02 Delta_ex -0.6627102E-02 Delta_ec 0.1720761E-02 Delta_et -0.1549443E-01 Pxc 0.5029408E+01 Qxc -0.3851263E+01 3,+1 105 3 -1 -0.971269 1.672445 -1.582775 Rho 0.5061715E-01 |GRAD(Rho)| 0.4382953E-16 GRAD(Rho)x 0.2704873E-16 GRAD(Rho)y -0.2826930E-16 GRAD(Rho)z 0.1975450E-16 Laplacian 0.1879310E+00 (-1/4)Del**2(Rho)) -0.4698276E-01 Diamond 0.9717948E-01 Metallicity 0.2539671E+01 Ellipticity 0.1851176E-01 Gb(Abramov) 0.5120863E-01 Vb(Abramov) -0.5543450E-01 Hb(Abramov) -0.4225872E-02 Ex_ueg -0.1382872E-01 Ec_ueg -0.2449016E-02 Delta_ex -0.1553009E-01 Delta_ec 0.5622552E-02 Delta_et -0.5948564E-01 Pxc 0.5646643E+01 Qxc -0.2762107E+01 3,-1 106 3 +3 -0.473577 -1.469056 1.644316 Rho 0.2891896E-02 |GRAD(Rho)| 0.1318304E-17 GRAD(Rho)x -0.4675622E-18 GRAD(Rho)y -0.6776264E-19 GRAD(Rho)z -0.1230739E-17 Laplacian 0.1111225E-01 (-1/4)Del**2(Rho)) -0.2778062E-02 Diamond 0.5176530E-04 Metallicity 0.3640120E+00 Ellipticity -0.7284423E+00 Gb(Abramov) 0.2020582E-02 Vb(Abramov) -0.1263103E-02 Hb(Abramov) 0.7574792E-03 Ex_ueg -0.3042953E-03 Ec_ueg -0.5735203E-04 Delta_ex -0.3595846E-03 Delta_ec 0.1004545E-03 Delta_et -0.5659418E-03 Pxc 0.5305747E+01 Qxc -0.3579576E+01 3,+3 107 3 -1 -0.895480 1.662610 1.623069 Rho 0.4680469E-01 |GRAD(Rho)| 0.9822984E-16 GRAD(Rho)x -0.8808296E-17 GRAD(Rho)y 0.8481849E-16 GRAD(Rho)z 0.4875797E-16 Laplacian 0.1781507E+00 (-1/4)Del**2(Rho)) -0.4453769E-01 Diamond 0.8226196E-01 Metallicity 0.2351299E+01 Ellipticity 0.2608059E-01 Gb(Abramov) 0.4714536E-01 Vb(Abramov) -0.4975303E-01 Hb(Abramov) -0.2607671E-02 Ex_ueg -0.1245769E-01 Ec_ueg -0.2239025E-02 Delta_ex -0.1440900E-01 Delta_ec 0.5286159E-02 Delta_et -0.5477803E-01 Pxc 0.5563890E+01 Qxc -0.2725798E+01 3,-1 108 3 +3 2.643800 -1.862999 -0.023379 Rho 0.1098733E-01 |GRAD(Rho)| 0.1577909E-16 GRAD(Rho)x -0.3634250E-17 GRAD(Rho)y -0.2307601E-17 GRAD(Rho)z 0.1518047E-16 Laplacian 0.4840228E-01 (-1/4)Del**2(Rho)) -0.1210057E-01 Diamond 0.9259542E-03 Metallicity 0.7730969E+00 Ellipticity -0.5806133E+00 Gb(Abramov) 0.9626199E-02 Vb(Abramov) -0.7151828E-02 Hb(Abramov) 0.2474371E-02 Ex_ueg -0.1804019E-02 Ec_ueg -0.4130245E-03 Delta_ex -0.2067005E-02 Delta_ec 0.1682013E-03 Delta_et -0.1603529E-02 Pxc 0.4367824E+01 Qxc -0.1228888E+02 3,+3 109 3 +1 2.383335 -1.175593 -0.613865 Rho 0.2032276E-01 |GRAD(Rho)| 0.3359499E-16 GRAD(Rho)x 0.3284195E-16 GRAD(Rho)y 0.2305549E-17 GRAD(Rho)z -0.6686828E-17 Laplacian 0.7460267E-01 (-1/4)Del**2(Rho)) -0.1865067E-01 Diamond 0.7802566E-02 Metallicity 0.1397966E+01 Ellipticity -0.5218670E+01 Gb(Abramov) 0.1677928E-01 Vb(Abramov) -0.1490789E-01 Hb(Abramov) 0.1871390E-02 Ex_ueg -0.4096019E-02 Ec_ueg -0.8562358E-03 Delta_ex -0.4458289E-02 Delta_ec 0.1384576E-02 Delta_et -0.1156611E-01 Pxc 0.4783751E+01 Qxc -0.3219966E+01 3,+1 110 3 -1 2.368814 -0.633084 -0.047887 Rho 0.2598313E-01 |GRAD(Rho)| 0.4184161E-16 GRAD(Rho)x 0.3997879E-16 GRAD(Rho)y 0.1096241E-16 GRAD(Rho)z 0.5678252E-17 Laplacian 0.9745154E-01 (-1/4)Del**2(Rho)) -0.2436288E-01 Diamond 0.1940563E-01 Metallicity 0.1611797E+01 Ellipticity 0.5405473E-01 Gb(Abramov) 0.2278659E-01 Vb(Abramov) -0.2121030E-01 Hb(Abramov) 0.1576291E-02 Ex_ueg -0.5683821E-02 Ec_ueg -0.1138340E-02 Delta_ex -0.6739143E-02 Delta_ec 0.2752318E-02 Delta_et -0.2430055E-01 Pxc 0.4993080E+01 Qxc -0.2448534E+01 3,-1 111 3 +1 2.387319 -1.080683 0.496396 Rho 0.2105616E-01 |GRAD(Rho)| 0.2832530E-16 GRAD(Rho)x 0.1995018E-17 GRAD(Rho)y -0.7442442E-17 GRAD(Rho)z 0.2725716E-16 Laplacian 0.7799645E-01 (-1/4)Del**2(Rho)) -0.1949911E-01 Diamond 0.8345229E-02 Metallicity 0.1418524E+01 Ellipticity -0.4403163E+01 Gb(Abramov) 0.1760940E-01 Vb(Abramov) -0.1571969E-01 Hb(Abramov) 0.1889710E-02 Ex_ueg -0.4294281E-02 Ec_ueg -0.8922749E-03 Delta_ex -0.4674346E-02 Delta_ec 0.1394222E-02 Delta_et -0.1177039E-01 Pxc 0.4812734E+01 Qxc -0.3352656E+01 3,+1 112 3 +1 -1.885497 -0.222739 1.855857 Rho 0.5327679E-02 |GRAD(Rho)| 0.1090994E-17 GRAD(Rho)x -0.5149960E-18 GRAD(Rho)y 0.8584679E-18 GRAD(Rho)z 0.4336809E-18 Laplacian 0.2065290E-01 (-1/4)Del**2(Rho)) -0.5163226E-02 Diamond 0.3470321E-03 Metallicity 0.5422449E+00 Ellipticity -0.1400985E+01 Gb(Abramov) 0.3908773E-02 Vb(Abramov) -0.2654320E-02 Hb(Abramov) 0.1254453E-02 Ex_ueg -0.6872306E-03 Ec_ueg -0.1610413E-03 Delta_ex -0.8881054E-03 Delta_ec 0.3799436E-03 Delta_et -0.2211600E-02 Pxc 0.4267418E+01 Qxc -0.2337467E+01 3,+1 113 3 -1 0.820545 1.693553 1.608611 Rho 0.4080937E-01 |GRAD(Rho)| 0.5327929E-14 GRAD(Rho)x 0.3843959E-14 GRAD(Rho)y 0.3488186E-14 GRAD(Rho)z 0.1201402E-14 Laplacian 0.1575112E+00 (-1/4)Del**2(Rho)) -0.3937780E-01 Diamond 0.6072586E-01 Metallicity 0.2116256E+01 Ellipticity 0.7592664E-02 Gb(Abramov) 0.4014078E-01 Vb(Abramov) -0.4090376E-01 Hb(Abramov) -0.7629820E-03 Ex_ueg -0.1037683E-01 Ec_ueg -0.1913532E-02 Delta_ex -0.1233164E-01 Delta_ec 0.4714651E-02 Delta_et -0.4711078E-01 Pxc 0.5422869E+01 Qxc -0.2615600E+01 3,-1 114 3 +1 0.576906 1.130796 2.509066 Rho 0.2456680E-01 |GRAD(Rho)| 0.1596768E-13 GRAD(Rho)x 0.1024717E-14 GRAD(Rho)y -0.4321194E-14 GRAD(Rho)z 0.1533767E-13 Laplacian 0.9434976E-01 (-1/4)Del**2(Rho)) -0.2358744E-01 Diamond 0.1199155E-01 Metallicity 0.1516306E+01 Ellipticity -0.3694852E+01 Gb(Abramov) 0.2168592E-01 Vb(Abramov) -0.1978440E-01 Hb(Abramov) 0.1901519E-02 Ex_ueg -0.5274523E-02 Ec_ueg -0.1066928E-02 Delta_ex -0.5834615E-02 Delta_ec 0.1590131E-02 Delta_et -0.1397908E-01 Pxc 0.4943654E+01 Qxc -0.3669267E+01 3,+1 115 3 -1 0.660911 0.866748 3.524687 Rho 0.8406741E-01 |GRAD(Rho)| 0.2234943E-13 GRAD(Rho)x 0.7681555E-15 GRAD(Rho)y -0.2189146E-13 GRAD(Rho)z -0.4435189E-14 Laplacian 0.3366576E+00 (-1/4)Del**2(Rho)) -0.8416440E-01 Diamond 0.3357458E+00 Metallicity 0.3302206E+01 Ellipticity 0.3176187E-01 Gb(Abramov) 0.1024310E+00 Vb(Abramov) -0.1206975E+00 Hb(Abramov) -0.1826657E-01 Ex_ueg -0.2719915E-01 Ec_ueg -0.4370489E-02 Delta_ex -0.3144280E-01 Delta_ec 0.9600034E-02 Delta_et -0.1148795E+00 Pxc 0.6223365E+01 Qxc -0.3275280E+01 3,-1 116 3 -1 0.764485 1.734687 -1.628828 Rho 0.3220644E-01 |GRAD(Rho)| 0.1215856E-15 GRAD(Rho)x -0.7347556E-16 GRAD(Rho)y -0.8432372E-16 GRAD(Rho)z 0.4768552E-16 Laplacian 0.1225173E+00 (-1/4)Del**2(Rho)) -0.3062933E-01 Diamond 0.3370578E-01 Metallicity 0.1833666E+01 Ellipticity 0.2718188E-01 Gb(Abramov) 0.2978022E-01 Vb(Abramov) -0.2893110E-01 Hb(Abramov) 0.8491172E-03 Ex_ueg -0.7567900E-02 Ec_ueg -0.1457970E-02 Delta_ex -0.9009081E-02 Delta_ec 0.3599175E-02 Delta_et -0.3371499E-01 Pxc 0.5190712E+01 Qxc -0.2503096E+01 3,-1 117 3 -1 2.338603 1.840634 -1.559475 Rho 0.1080453E+00 |GRAD(Rho)| 0.1447576E-14 GRAD(Rho)x -0.6080748E-15 GRAD(Rho)y -0.1284000E-14 GRAD(Rho)z -0.2776066E-15 Laplacian 0.4480219E+00 (-1/4)Del**2(Rho)) -0.1120055E+00 Diamond 0.6091847E+00 Metallicity 0.3769849E+01 Ellipticity 0.7021508E-02 Gb(Abramov) 0.1450443E+00 Vb(Abramov) -0.1780831E+00 Hb(Abramov) -0.3303881E-01 Ex_ueg -0.3800667E-01 Ec_ueg -0.5814935E-02 Delta_ex -0.4442019E-01 Delta_ec 0.1221002E-01 Delta_et -0.1538670E+00 Pxc 0.6536043E+01 Qxc -0.3638010E+01 3,-1 118 3 -1 0.796433 2.996894 1.969222 Rho 0.1285307E+00 |GRAD(Rho)| 0.8900956E-12 GRAD(Rho)x 0.8867791E-12 GRAD(Rho)y 0.7662827E-13 GRAD(Rho)z 0.4606696E-14 Laplacian 0.4924065E+00 (-1/4)Del**2(Rho)) -0.1231016E+00 Diamond 0.8250168E+00 Metallicity 0.4581078E+01 Ellipticity 0.4492270E-01 Gb(Abramov) 0.1760574E+00 Vb(Abramov) -0.2290132E+00 Hb(Abramov) -0.5295581E-01 Ex_ueg -0.4790649E-01 Ec_ueg -0.7083689E-02 Delta_ex -0.5088259E-01 Delta_ec 0.1288768E-01 Delta_et -0.1674295E+00 Pxc 0.6762929E+01 Qxc -0.3948158E+01 3,-1 119 3 -1 2.349034 1.818731 1.582564 Rho 0.1521942E+00 |GRAD(Rho)| 0.1182026E-14 GRAD(Rho)x 0.2356242E-15 GRAD(Rho)y -0.8829607E-15 GRAD(Rho)z -0.7496987E-15 Laplacian 0.6245625E+00 (-1/4)Del**2(Rho)) -0.1561406E+00 Diamond 0.1266328E+01 Metallicity 0.4786678E+01 Ellipticity 0.3525457E-01 Gb(Abramov) 0.2286595E+00 Vb(Abramov) -0.3011785E+00 Hb(Abramov) -0.7251893E-01 Ex_ueg -0.6001354E-01 Ec_ueg -0.8584123E-02 Delta_ex -0.6710101E-01 Delta_ec 0.1541231E-01 Delta_et -0.2046912E+00 Pxc 0.6991225E+01 Qxc -0.4353727E+01 3,-1 120 3 -1 1.569909 2.021994 -2.715450 Rho 0.1629767E+00 |GRAD(Rho)| 0.3142627E-14 GRAD(Rho)x -0.5039643E-15 GRAD(Rho)y -0.3079866E-14 GRAD(Rho)z -0.3695232E-15 Laplacian 0.6183525E+00 (-1/4)Del**2(Rho)) -0.1545881E+00 Diamond 0.1377059E+01 Metallicity 0.5419006E+01 Ellipticity 0.4885370E-01 Gb(Abramov) 0.2426778E+00 Vb(Abramov) -0.3307674E+00 Hb(Abramov) -0.8808962E-01 Ex_ueg -0.6574849E-01 Ec_ueg -0.9279321E-02 Delta_ex -0.6771568E-01 Delta_ec 0.1524819E-01 Delta_et -0.2049119E+00 Pxc 0.7085486E+01 Qxc -0.4440901E+01 3,-1 121 3 +1 -0.107784 2.197676 -1.761890 Rho 0.2181047E-01 |GRAD(Rho)| 0.7574770E-15 GRAD(Rho)x -0.6337881E-15 GRAD(Rho)y 0.3848543E-15 GRAD(Rho)z -0.1548264E-15 Laplacian 0.8179588E-01 (-1/4)Del**2(Rho)) -0.2044897E-01 Diamond 0.9259398E-02 Metallicity 0.1434356E+01 Ellipticity -0.4461908E+01 Gb(Abramov) 0.1852116E-01 Vb(Abramov) -0.1659336E-01 Hb(Abramov) 0.1927807E-02 Ex_ueg -0.4500615E-02 Ec_ueg -0.9295075E-03 Delta_ex -0.4957149E-02 Delta_ec 0.1479408E-02 Delta_et -0.1259651E-01 Pxc 0.4841935E+01 Qxc -0.3350765E+01 3,+1 122 3 -1 3.576476 -0.855891 -0.739904 Rho 0.1731303E+00 |GRAD(Rho)| 0.5741726E-15 GRAD(Rho)x -0.3554608E-15 GRAD(Rho)y 0.3881715E-15 GRAD(Rho)z 0.2294443E-15 Laplacian 0.6555800E+00 (-1/4)Del**2(Rho)) -0.1638950E+00 Diamond 0.1570743E+01 Metallicity 0.5652960E+01 Ellipticity 0.5015374E-01 Gb(Abramov) 0.2636787E+00 Vb(Abramov) -0.3634623E+00 Hb(Abramov) -0.9978365E-01 Ex_ueg -0.7126602E-01 Ec_ueg -0.9940280E-02 Delta_ex -0.7289189E-01 Delta_ec 0.1592868E-01 Delta_et -0.2156050E+00 Pxc 0.7169418E+01 Qxc -0.4576143E+01 3,-1 123 3 -1 -1.481612 -0.840618 1.711101 Rho 0.6912059E-02 |GRAD(Rho)| 0.1274662E-14 GRAD(Rho)x 0.8648139E-15 GRAD(Rho)y 0.9350431E-15 GRAD(Rho)z -0.5055093E-16 Laplacian 0.2660027E-01 (-1/4)Del**2(Rho)) -0.6650066E-02 Diamond 0.1162137E-02 Metallicity 0.6497400E+00 Ellipticity 0.1391171E+00 Gb(Abramov) 0.5153513E-02 Vb(Abramov) -0.3656960E-02 Hb(Abramov) 0.1496553E-02 Ex_ueg -0.9724374E-03 Ec_ueg -0.2301023E-03 Delta_ex -0.1532357E-02 Delta_ec 0.1056159E-02 Delta_et -0.6235667E-02 Pxc 0.4226109E+01 Qxc -0.1450878E+01 3,-1 124 3 +1 -0.835612 -1.715736 1.637748 Rho 0.3015950E-02 |GRAD(Rho)| 0.7075260E-17 GRAD(Rho)x -0.1077426E-17 GRAD(Rho)y 0.1185846E-17 GRAD(Rho)z -0.6891460E-17 Laplacian 0.1080007E-01 (-1/4)Del**2(Rho)) -0.2700018E-02 Diamond 0.7219575E-04 Metallicity 0.4016922E+00 Ellipticity -0.1197638E+01 Gb(Abramov) 0.1980775E-02 Vb(Abramov) -0.1261532E-02 Hb(Abramov) 0.7192434E-03 Ex_ueg -0.3218232E-03 Ec_ueg -0.6255644E-04 Delta_ex -0.3876365E-03 Delta_ec 0.1592724E-03 Delta_et -0.8176078E-03 Pxc 0.5144525E+01 Qxc -0.2433795E+01 3,+1 125 3 -1 0.815575 -2.991947 -1.693105 Rho 0.2127201E+00 |GRAD(Rho)| 0.6028249E-13 GRAD(Rho)x -0.4714013E-13 GRAD(Rho)y 0.2094410E-13 GRAD(Rho)z 0.3119504E-13 Laplacian 0.8180332E+00 (-1/4)Del**2(Rho)) -0.2045083E+00 Diamond 0.2485726E+01 Metallicity 0.6385425E+01 Ellipticity 0.9421788E-02 Gb(Abramov) 0.3539843E+00 Vb(Abramov) -0.5034602E+00 Hb(Abramov) -0.1494760E+00 Ex_ueg -0.9378422E-01 Ec_ueg -0.1257375E-01 Delta_ex -0.9568663E-01 Delta_ec 0.1852690E-01 Delta_et -0.2544002E+00 Pxc 0.7458729E+01 Qxc -0.5164741E+01 3,-1 126 3 -1 1.975468 -3.017116 -0.801608 Rho 0.1155061E+00 |GRAD(Rho)| 0.1946880E-13 GRAD(Rho)x -0.4118891E-14 GRAD(Rho)y 0.4453269E-14 GRAD(Rho)z 0.1849965E-13 Laplacian 0.4409826E+00 (-1/4)Del**2(Rho)) -0.1102457E+00 Diamond 0.6568431E+00 Metallicity 0.4280880E+01 Ellipticity 0.4265898E-01 Gb(Abramov) 0.1521552E+00 Vb(Abramov) -0.1940647E+00 Hb(Abramov) -0.4190951E-01 Ex_ueg -0.4154558E-01 Ec_ueg -0.6273570E-02 Delta_ex -0.4451784E-01 Delta_ec 0.1201326E-01 Delta_et -0.1535264E+00 Pxc 0.6622318E+01 Qxc -0.3705725E+01 3,-1 127 3 -1 0.873296 -2.967842 1.701161 Rho 0.2101137E+00 |GRAD(Rho)| 0.2751492E-15 GRAD(Rho)x -0.2486076E-15 GRAD(Rho)y -0.1074444E-15 GRAD(Rho)z -0.4854939E-16 Laplacian 0.8180472E+00 (-1/4)Del**2(Rho)) -0.2045118E+00 Diamond 0.2438015E+01 Metallicity 0.6255455E+01 Ellipticity 0.1133613E-01 Gb(Abramov) 0.3495603E+00 Vb(Abramov) -0.4946087E+00 Hb(Abramov) -0.1450485E+00 Ex_ueg -0.9225523E-01 Ec_ueg -0.1239768E-01 Delta_ex -0.9531365E-01 Delta_ec 0.1846488E-01 Delta_et -0.2528775E+00 Pxc 0.7441330E+01 Qxc -0.5161889E+01 3,-1 128 3 -1 2.045932 0.070490 2.142636 Rho 0.5261862E-02 |GRAD(Rho)| 0.9703151E-17 GRAD(Rho)x 0.9544339E-18 GRAD(Rho)y 0.1253027E-17 GRAD(Rho)z -0.9574451E-17 Laplacian 0.2099472E-01 (-1/4)Del**2(Rho)) -0.5248681E-02 Diamond 0.6037893E-03 Metallicity 0.5224789E+00 Ellipticity 0.4168542E+01 Gb(Abramov) 0.3956175E-02 Vb(Abramov) -0.2663669E-02 Hb(Abramov) 0.1292506E-02 Ex_ueg -0.6759341E-03 Ec_ueg -0.1581991E-03 Delta_ex -0.1123092E-02 Delta_ec 0.7840941E-03 Delta_et -0.4274610E-02 Pxc 0.4272678E+01 Qxc -0.1432343E+01 3,-1 129 3 -1 4.551262 0.064174 -0.029520 Rho 0.2080755E+00 |GRAD(Rho)| 0.1778660E-13 GRAD(Rho)x 0.1269026E-13 GRAD(Rho)y -0.8050323E-14 GRAD(Rho)z 0.9513822E-14 Laplacian 0.7476243E+00 (-1/4)Del**2(Rho)) -0.1869061E+00 Diamond 0.2242560E+01 Metallicity 0.6734384E+01 Ellipticity 0.2890783E-02 Gb(Abramov) 0.3343869E+00 Vb(Abramov) -0.4818678E+00 Hb(Abramov) -0.1474808E+00 Ex_ueg -0.9106389E-01 Ec_ueg -0.1226025E-01 Delta_ex -0.8714993E-01 Delta_ec 0.1738600E-01 Delta_et -0.2396903E+00 Pxc 0.7427575E+01 Qxc -0.5012649E+01 3,-1 130 3 -1 -2.338985 3.167759 2.218500 Rho 0.2070150E+00 |GRAD(Rho)| 0.2898421E-14 GRAD(Rho)x -0.2529471E-14 GRAD(Rho)y 0.3863554E-15 GRAD(Rho)z 0.1361378E-14 Laplacian 0.7783624E+00 (-1/4)Del**2(Rho)) -0.1945906E+00 Diamond 0.2302143E+01 Metallicity 0.6413589E+01 Ellipticity 0.1217823E-01 Gb(Abramov) 0.3377311E+00 Vb(Abramov) -0.4808716E+00 Hb(Abramov) -0.1431405E+00 Ex_ueg -0.9044562E-01 Ec_ueg -0.1218884E-01 Delta_ex -0.9049552E-01 Delta_ec 0.1791438E-01 Delta_et -0.2461159E+00 Pxc 0.7420366E+01 Qxc -0.5051558E+01 3,-1 131 3 -1 -2.272884 3.236919 -2.224179 Rho 0.2044204E+00 |GRAD(Rho)| 0.2099343E-15 GRAD(Rho)x -0.2547875E-16 GRAD(Rho)y 0.1766165E-15 GRAD(Rho)z 0.1105886E-15 Laplacian 0.7631693E+00 (-1/4)Del**2(Rho)) -0.1907923E+00 Diamond 0.2229198E+01 Metallicity 0.6405201E+01 Ellipticity 0.1545042E-01 Gb(Abramov) 0.3308721E+00 Vb(Abramov) -0.4709518E+00 Hb(Abramov) -0.1400798E+00 Ex_ueg -0.8893734E-01 Ec_ueg -0.1201438E-01 Delta_ex -0.8848176E-01 Delta_ec 0.1769644E-01 Delta_et -0.2431528E+00 Pxc 0.7402576E+01 Qxc -0.4999974E+01 3,-1 132 3 +1 0.034552 2.156540 1.716652 Rho 0.2534504E-01 |GRAD(Rho)| 0.1704018E-16 GRAD(Rho)x 0.1115863E-16 GRAD(Rho)y -0.1287290E-16 GRAD(Rho)z -0.3755211E-18 Laplacian 0.9996642E-01 (-1/4)Del**2(Rho)) -0.2499161E-01 Diamond 0.1435957E-01 Metallicity 0.1507465E+01 Ellipticity -0.6688557E+01 Gb(Abramov) 0.2294007E-01 Vb(Abramov) -0.2088852E-01 Hb(Abramov) 0.2051541E-02 Ex_ueg -0.5498475E-02 Ec_ueg -0.1106102E-02 Delta_ex -0.6350662E-02 Delta_ec 0.1893603E-02 Delta_et -0.1672744E-01 Pxc 0.4971039E+01 Qxc -0.3353745E+01 3,+1 133 3 -1 -0.826201 -0.520325 3.405714 Rho 0.2105860E+00 |GRAD(Rho)| 0.3076445E-13 GRAD(Rho)x -0.2926359E-13 GRAD(Rho)y 0.7604648E-14 GRAD(Rho)z 0.5680054E-14 Laplacian 0.8187032E+00 (-1/4)Del**2(Rho)) -0.2046758E+00 Diamond 0.2448461E+01 Metallicity 0.6273873E+01 Ellipticity 0.1043380E-01 Gb(Abramov) 0.3504689E+00 Vb(Abramov) -0.4962619E+00 Hb(Abramov) -0.1457931E+00 Ex_ueg -0.9253179E-01 Ec_ueg -0.1242955E-01 Delta_ex -0.9545735E-01 Delta_ec 0.1848943E-01 Delta_et -0.2533297E+00 Pxc 0.7444498E+01 Qxc -0.5162806E+01 3,-1 134 3 -1 -0.725652 -0.367411 0.050839 Rho 0.1363303E+00 |GRAD(Rho)| 0.2877360E-13 GRAD(Rho)x 0.2567775E-13 GRAD(Rho)y 0.1270233E-13 GRAD(Rho)z -0.2687718E-14 Laplacian 0.6812036E+00 (-1/4)Del**2(Rho)) -0.1703009E+00 Diamond 0.1486043E+01 Metallicity 0.3653060E+01 Ellipticity 0.8254949E-01 Gb(Abramov) 0.2172205E+00 Vb(Abramov) -0.2641401E+00 Hb(Abramov) -0.4691959E-01 Ex_ueg -0.5182128E-01 Ec_ueg -0.7574284E-02 Delta_ex -0.7435571E-01 Delta_ec 0.2285030E-01 Delta_et -0.3102651E+00 Pxc 0.6841741E+01 Qxc -0.3254036E+01 3,-1 135 3 +3 -0.030341 2.278554 0.019183 Rho 0.4312282E-02 |GRAD(Rho)| 0.2332855E-14 GRAD(Rho)x 0.1446179E-16 GRAD(Rho)y -0.1733240E-14 GRAD(Rho)z -0.1561371E-14 Laplacian 0.1778274E-01 (-1/4)Del**2(Rho)) -0.4445685E-02 Diamond 0.1395164E-03 Metallicity 0.4427173E+00 Ellipticity -0.3729620E+00 Gb(Abramov) 0.3291820E-02 Vb(Abramov) -0.2137955E-02 Hb(Abramov) 0.1153865E-02 Ex_ueg -0.5183956E-03 Ec_ueg -0.1174386E-03 Delta_ex -0.6328559E-03 Delta_ec 0.1552514E-03 Delta_et -0.9722995E-03 Pxc 0.4414183E+01 Qxc -0.4076331E+01 3,+3 136 3 -1 1.438598 -1.825710 -2.320838 Rho 0.1477511E+00 |GRAD(Rho)| 0.9904615E-15 GRAD(Rho)x 0.2618009E-15 GRAD(Rho)y -0.8986139E-15 GRAD(Rho)z 0.3239867E-15 Laplacian 0.6008381E+00 (-1/4)Del**2(Rho)) -0.1502095E+00 Diamond 0.1190012E+01 Metallicity 0.4735949E+01 Ellipticity 0.1663683E-01 Gb(Abramov) 0.2187038E+00 Vb(Abramov) -0.2871980E+00 Hb(Abramov) -0.6849426E-01 Ex_ueg -0.5768897E-01 Ec_ueg -0.8299709E-02 Delta_ex -0.6422756E-01 Delta_ec 0.1519851E-01 Delta_et -0.2016603E+00 Pxc 0.6950722E+01 Qxc -0.4225912E+01 3,-1 137 3 -1 1.481359 -1.828724 2.327636 Rho 0.1161649E+00 |GRAD(Rho)| 0.1052341E-13 GRAD(Rho)x 0.1257729E-14 GRAD(Rho)y -0.8907114E-14 GRAD(Rho)z -0.5461092E-14 Laplacian 0.4740454E+00 (-1/4)Del**2(Rho)) -0.1185113E+00 Diamond 0.7086522E+00 Metallicity 0.4020237E+01 Ellipticity 0.5461057E-02 Gb(Abramov) 0.1584148E+00 Vb(Abramov) -0.1983183E+00 Hb(Abramov) -0.3990350E-01 Ex_ueg -0.4186185E-01 Ec_ueg -0.6314267E-02 Delta_ex -0.4788808E-01 Delta_ec 0.1283989E-01 Delta_et -0.1641707E+00 Pxc 0.6629725E+01 Qxc -0.3729633E+01 3,-1 138 3 -1 -2.398385 0.259313 0.874646 Rho 0.3909929E-01 |GRAD(Rho)| 0.3320268E-15 GRAD(Rho)x 0.2767269E-15 GRAD(Rho)y -0.1175829E-15 GRAD(Rho)z -0.1408485E-15 Laplacian 0.1153296E+00 (-1/4)Del**2(Rho)) -0.2883240E-01 Diamond 0.6296239E-01 Metallicity 0.2691248E+01 Ellipticity 0.2199983E-01 Gb(Abramov) 0.3215413E-01 Vb(Abramov) -0.3547585E-01 Hb(Abramov) -0.3321725E-02 Ex_ueg -0.9801146E-02 Ec_ueg -0.1821836E-02 Delta_ex -0.1019115E-01 Delta_ec 0.5697438E-02 Delta_et -0.5650042E-01 Pxc 0.5379818E+01 Qxc -0.1788726E+01 3,-1 139 3 +3 -0.012212 1.934896 2.713335 Rho 0.1163723E-01 |GRAD(Rho)| 0.8126702E-17 GRAD(Rho)x 0.2183863E-17 GRAD(Rho)y 0.2195801E-17 GRAD(Rho)z 0.7513487E-17 Laplacian 0.5233230E-01 (-1/4)Del**2(Rho)) -0.1308307E-01 Diamond 0.1130042E-02 Metallicity 0.7869118E+00 Ellipticity -0.7154042E+00 Gb(Abramov) 0.1043792E-01 Vb(Abramov) -0.7792766E-02 Hb(Abramov) 0.2645154E-02 Ex_ueg -0.1947681E-02 Ec_ueg -0.4428483E-03 Delta_ex -0.2286570E-02 Delta_ec 0.2060078E-03 Delta_et -0.1902676E-02 Pxc 0.4398078E+01 Qxc -0.1109943E+02 3,+3 140 3 -1 -1.522775 2.033618 2.805826 Rho 0.1443328E+00 |GRAD(Rho)| 0.7096759E-15 GRAD(Rho)x -0.2276418E-15 GRAD(Rho)y 0.2381315E-15 GRAD(Rho)z -0.6285798E-15 Laplacian 0.5501321E+00 (-1/4)Del**2(Rho)) -0.1375330E+00 Diamond 0.1065619E+01 Metallicity 0.4974559E+01 Ellipticity 0.6154140E-01 Gb(Abramov) 0.2057163E+00 Vb(Abramov) -0.2738997E+00 Hb(Abramov) -0.6818333E-01 Ex_ueg -0.5591630E-01 Ec_ueg -0.8081723E-02 Delta_ex -0.5853605E-01 Delta_ec 0.1411353E-01 Delta_et -0.1868994E+00 Pxc 0.6918858E+01 Qxc -0.4147513E+01 3,-1 141 3 -1 -1.512752 2.036688 -2.760499 Rho 0.1061547E+00 |GRAD(Rho)| 0.3432946E-13 GRAD(Rho)x 0.1844303E-13 GRAD(Rho)y -0.2869839E-13 GRAD(Rho)z -0.3842995E-14 Laplacian 0.4067752E+00 (-1/4)Del**2(Rho)) -0.1016938E+00 Diamond 0.5461450E+00 Metallicity 0.4031723E+01 Ellipticity 0.3460143E-01 Gb(Abramov) 0.1361294E+00 Vb(Abramov) -0.1705650E+00 Hb(Abramov) -0.3443560E-01 Ex_ueg -0.3712251E-01 Ec_ueg -0.5699366E-02 Delta_ex -0.4023749E-01 Delta_ec 0.1126230E-01 Delta_et -0.1416312E+00 Pxc 0.6513445E+01 Qxc -0.3572760E+01 3,-1 142 3 -1 -0.840724 2.967840 1.986830 Rho 0.1126581E+00 |GRAD(Rho)| 0.1095032E-15 GRAD(Rho)x 0.8669552E-16 GRAD(Rho)y -0.6512667E-16 GRAD(Rho)z 0.1527624E-16 Laplacian 0.4442662E+00 (-1/4)Del**2(Rho)) -0.1110666E+00 Diamond 0.6296816E+00 Metallicity 0.4076060E+01 Ellipticity 0.4269312E-01 Gb(Abramov) 0.1494967E+00 Vb(Abramov) -0.1879268E+00 Hb(Abramov) -0.3843013E-01 Ex_ueg -0.4018540E-01 Ec_ueg -0.6098016E-02 Delta_ex -0.4440348E-01 Delta_ec 0.1184732E-01 Delta_et -0.1502366E+00 Pxc 0.6589913E+01 Qxc -0.3747977E+01 3,-1 143 3 -1 0.021573 -0.021731 -4.507059 Rho 0.2055459E+00 |GRAD(Rho)| 0.1206494E-10 GRAD(Rho)x 0.2145664E-11 GRAD(Rho)y -0.1303462E-11 GRAD(Rho)z -0.1180084E-10 Laplacian 0.7711975E+00 (-1/4)Del**2(Rho)) -0.1927994E+00 Diamond 0.2265252E+01 Metallicity 0.6396794E+01 Ellipticity 0.1797343E-01 Gb(Abramov) 0.3340826E+00 Vb(Abramov) -0.4753658E+00 Hb(Abramov) -0.1412832E+00 Ex_ueg -0.8959083E-01 Ec_ueg -0.1209001E-01 Delta_ex -0.8952330E-01 Delta_ec 0.1782842E-01 Delta_et -0.2449688E+00 Pxc 0.7410320E+01 Qxc -0.5021381E+01 3,-1 144 3 -1 -0.830700 -0.539653 -3.406706 Rho 0.2109174E+00 |GRAD(Rho)| 0.6852277E-14 GRAD(Rho)x -0.5835989E-14 GRAD(Rho)y -0.3529403E-14 GRAD(Rho)z 0.6620003E-15 Laplacian 0.8159903E+00 (-1/4)Del**2(Rho)) -0.2039976E+00 Diamond 0.2446856E+01 Metallicity 0.6311251E+01 Ellipticity 0.8127080E-02 Gb(Abramov) 0.3505783E+00 Vb(Abramov) -0.4971591E+00 Hb(Abramov) -0.1465808E+00 Ex_ueg -0.9272600E-01 Ec_ueg -0.1245193E-01 Delta_ex -0.9519157E-01 Delta_ec 0.1844132E-01 Delta_et -0.2527757E+00 Pxc 0.7446717E+01 Qxc -0.5161864E+01 3,-1 145 3 +3 0.032378 1.934116 -2.697908 Rho 0.1119090E-01 |GRAD(Rho)| 0.2174897E-16 GRAD(Rho)x -0.2026476E-16 GRAD(Rho)y 0.7768514E-17 GRAD(Rho)z -0.1416780E-17 Laplacian 0.4941122E-01 (-1/4)Del**2(Rho)) -0.1235281E-01 Diamond 0.1003794E-02 Metallicity 0.7808408E+00 Ellipticity -0.6143893E+00 Gb(Abramov) 0.9842799E-02 Vb(Abramov) -0.7332793E-02 Hb(Abramov) 0.2510006E-02 Ex_ueg -0.1848722E-02 Ec_ueg -0.4223481E-03 Delta_ex -0.2132295E-02 Delta_ec 0.1909113E-03 Delta_et -0.1765718E-02 Pxc 0.4377248E+01 Qxc -0.1116903E+02 3,+3 146 3 -1 1.425287 -1.821064 0.810549 Rho 0.4840184E-01 |GRAD(Rho)| 0.1372582E-15 GRAD(Rho)x 0.4150948E-16 GRAD(Rho)y -0.8672220E-16 GRAD(Rho)z 0.9795936E-16 Laplacian 0.1836056E+00 (-1/4)Del**2(Rho)) -0.4590141E-01 Diamond 0.8975346E-01 Metallicity 0.2412665E+01 Ellipticity 0.8559730E-02 Gb(Abramov) 0.4905839E-01 Vb(Abramov) -0.5221538E-01 Hb(Abramov) -0.3156981E-02 Ex_ueg -0.1302770E-01 Ec_ueg -0.2326726E-02 Delta_ex -0.1502156E-01 Delta_ec 0.5528268E-02 Delta_et -0.5781533E-01 Pxc 0.5599153E+01 Qxc -0.2717227E+01 3,-1 147 3 -1 0.029215 -0.041336 4.518635 Rho 0.2058135E+00 |GRAD(Rho)| 0.1943618E-14 GRAD(Rho)x -0.1750038E-15 GRAD(Rho)y 0.1394623E-15 GRAD(Rho)z -0.1930693E-14 Laplacian 0.7699266E+00 (-1/4)Del**2(Rho)) -0.1924816E+00 Diamond 0.2267537E+01 Metallicity 0.6421263E+01 Ellipticity 0.1724409E-01 Gb(Abramov) 0.3343170E+00 Vb(Abramov) -0.4761523E+00 Hb(Abramov) -0.1418353E+00 Ex_ueg -0.8974639E-01 Ec_ueg -0.1210800E-01 Delta_ex -0.8942178E-01 Delta_ec 0.1782153E-01 Delta_et -0.2450018E+00 Pxc 0.7412155E+01 Qxc -0.5017627E+01 3,-1 148 3 -1 -0.131911 0.353476 -0.562940 Rho 0.1340154E+00 |GRAD(Rho)| 0.2785908E-15 GRAD(Rho)x 0.7562810E-17 GRAD(Rho)y 0.1935559E-15 GRAD(Rho)z 0.2002292E-15 Laplacian 0.6771430E+00 (-1/4)Del**2(Rho)) -0.1692857E+00 Diamond 0.1423819E+01 Metallicity 0.3571554E+01 Ellipticity 0.1020328E-01 Gb(Abramov) 0.2136260E+00 Vb(Abramov) -0.2579663E+00 Hb(Abramov) -0.4434027E-01 Ex_ueg -0.5065137E-01 Ec_ueg -0.7428260E-02 Delta_ex -0.7335517E-01 Delta_ec 0.2231732E-01 Delta_et -0.3012465E+00 Pxc 0.6818740E+01 Qxc -0.3286916E+01 3,-1 149 3 -1 -0.092374 0.351469 0.568921 Rho 0.1347253E+00 |GRAD(Rho)| 0.1475118E-15 GRAD(Rho)x 0.2464675E-17 GRAD(Rho)y -0.1000883E-15 GRAD(Rho)z -0.1083327E-15 Laplacian 0.6853162E+00 (-1/4)Del**2(Rho)) -0.1713290E+00 Diamond 0.1452671E+01 Metallicity 0.3560169E+01 Ellipticity 0.4641952E-02 Gb(Abramov) 0.2158794E+00 Vb(Abramov) -0.2604298E+00 Hb(Abramov) -0.4455037E-01 Ex_ueg -0.5100943E-01 Ec_ueg -0.7473003E-02 Delta_ex -0.7435904E-01 Delta_ec 0.2261179E-01 Delta_et -0.3056248E+00 Pxc 0.6825828E+01 Qxc -0.3288508E+01 3,-1 150 3 -1 -2.033851 -0.356305 0.486770 Rho 0.3166724E+00 |GRAD(Rho)| 0.8834328E-15 GRAD(Rho)x 0.4150559E-15 GRAD(Rho)y -0.6309680E-15 GRAD(Rho)z -0.4583247E-15 Laplacian -0.1586682E+01 (-1/4)Del**2(Rho)) 0.3966706E+00 Diamond 0.5458612E+01 Metallicity -0.6389599E+01 Ellipticity 0.6725197E-02 Gb(Abramov) 0.1579806E+00 Vb(Abramov) -0.7126318E+00 Hb(Abramov) -0.5546512E+00 Ex_ueg -0.1594161E+00 Ec_ueg -0.1990060E-01 Delta_ex 0.1574230E+00 Delta_ec 0.5524400E-01 Delta_et -0.1306161E+01 Pxc 0.8010614E+01 Qxc 0.2849595E+01 3,-1 151 3 -1 -0.030061 2.979936 -0.061568 Rho 0.5461431E-02 |GRAD(Rho)| 0.8443249E-15 GRAD(Rho)x -0.6543564E-15 GRAD(Rho)y -0.4507587E-15 GRAD(Rho)z 0.2855150E-15 Laplacian 0.2178740E-01 (-1/4)Del**2(Rho)) -0.5446850E-02 Diamond 0.6682676E-03 Metallicity 0.5356961E+00 Ellipticity 0.2403430E+01 Gb(Abramov) 0.4117543E-02 Vb(Abramov) -0.2788235E-02 Hb(Abramov) 0.1329307E-02 Ex_ueg -0.7103303E-03 Ec_ueg -0.1668238E-03 Delta_ex -0.1181347E-02 Delta_ec 0.8277737E-03 Delta_et -0.4559485E-02 Pxc 0.4257968E+01 Qxc -0.1427138E+01 3,-1 152 3 -1 1.511601 2.035582 2.734101 Rho 0.1564365E+00 |GRAD(Rho)| 0.1856602E-15 GRAD(Rho)x 0.1709651E-16 GRAD(Rho)y -0.4906015E-16 GRAD(Rho)z 0.1782428E-15 Laplacian 0.5994134E+00 (-1/4)Del**2(Rho)) -0.1498534E+00 Diamond 0.1270380E+01 Metallicity 0.5221361E+01 Ellipticity 0.5496513E-01 Gb(Abramov) 0.2303086E+00 Vb(Abramov) -0.3107639E+00 Hb(Abramov) -0.8045529E-01 Ex_ueg -0.6225430E-01 Ec_ueg -0.8856810E-02 Delta_ex -0.6497366E-01 Delta_ec 0.1492852E-01 Delta_et -0.1995655E+00 Pxc 0.7028975E+01 Qxc -0.4352318E+01 3,-1 153 3 -1 0.835228 3.064389 -2.054451 Rho 0.1691759E+00 |GRAD(Rho)| 0.4573990E-13 GRAD(Rho)x 0.4078695E-13 GRAD(Rho)y -0.2034436E-13 GRAD(Rho)z 0.3830090E-14 Laplacian 0.6434047E+00 (-1/4)Del**2(Rho)) -0.1608512E+00 Diamond 0.1500354E+01 Metallicity 0.5542339E+01 Ellipticity 0.5270285E-01 Gb(Abramov) 0.2558161E+00 Vb(Abramov) -0.3507810E+00 Hb(Abramov) -0.9496490E-01 Ex_ueg -0.6910398E-01 Ec_ueg -0.9682145E-02 Delta_ex -0.7113370E-01 Delta_ec 0.1574163E-01 Delta_et -0.2125577E+00 Pxc 0.7137259E+01 Qxc -0.4518826E+01 3,-1 154 3 -1 2.157222 -3.163599 -2.293044 Rho 0.2048829E+00 |GRAD(Rho)| 0.2411392E-15 GRAD(Rho)x 0.3388132E-16 GRAD(Rho)y -0.1357421E-15 GRAD(Rho)z -0.1964032E-15 Laplacian 0.7728618E+00 (-1/4)Del**2(Rho)) -0.1932154E+00 Diamond 0.2258296E+01 Metallicity 0.6348739E+01 Ellipticity 0.1759045E-01 Gb(Abramov) 0.3332560E+00 Vb(Abramov) -0.4732966E+00 Hb(Abramov) -0.1400406E+00 Ex_ueg -0.8920571E-01 Ec_ueg -0.1204545E-01 Delta_ex -0.8962221E-01 Delta_ec 0.1784717E-01 Delta_et -0.2450399E+00 Pxc 0.7405763E+01 Qxc -0.5021648E+01 3,-1 155 3 -1 2.013146 -3.028949 0.792155 Rho 0.1381585E+00 |GRAD(Rho)| 0.4272353E-15 GRAD(Rho)x -0.8112543E-16 GRAD(Rho)y -0.1680310E-15 GRAD(Rho)z -0.3843361E-15 Laplacian 0.5210541E+00 (-1/4)Del**2(Rho)) -0.1302635E+00 Diamond 0.9641751E+00 Metallicity 0.4883070E+01 Ellipticity 0.5285899E-01 Gb(Abramov) 0.1928567E+00 Vb(Abramov) -0.2554498E+00 Hb(Abramov) -0.6259315E-01 Ex_ueg -0.5274992E-01 Ec_ueg -0.7689851E-02 Delta_ex -0.5492682E-01 Delta_ec 0.1364032E-01 Delta_et -0.1797193E+00 Pxc 0.6859681E+01 Qxc -0.4026800E+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 67 146 137 127 85 155 83 154 105 91 50 141 47 131 113 119 80 152 118 82 103 136 125 84 126 81 116 117 79 120 153 130 107 92 51 140 142 97 133 67 98 115 147 110 89 88 122 86 129 61 62 144 143 75 100 64 123 102 134 150 148 149 57 46 138 96 128 151 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 15 16 17 19 19 21 22 25 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 17 23 36 45 36 36 26 23 45 28 24 27 2.377009 1.992832 1.767189 2.136406 1.937001 1.774208 1.777465 2.361897 1.765076 1.874724 2.043211 2.201391 1.778640 2.448021 1.886586 1.969485 1.887300 1.967105 1.774122 2.307070 1.897001 1.762121 2.226782 2.008952 1.773795 2.553964 2.022927 1.950438 1.870758 1.855220 1.772805 2.394999 1.800961 2.054618 1.918008 2.020273 2.373323 1.766215 1.905391 2.036665 2.139534 1.775786 2.652678 1.907083 2.067026 1.845987 1.883468 1.771993 2.362585 1.995621 1.765748 1.776135 2.179617 1.914496 1.657649 3.151219 3.210187 1.667699 0.999937 1.670197 1.667877 3.160983 3.098686 1.764300 3.139933 3.274526 3.251948 2.377924 1.993473 1.767330 2.136994 1.937543 1.774249 1.777505 2.362705 1.765180 1.875296 2.043801 2.201995 1.778669 2.448675 1.887242 1.970159 1.887789 1.967713 1.774163 2.307773 1.897540 1.762191 2.227277 2.009633 1.773842 2.554450 2.023568 1.951201 1.871274 1.855636 1.772830 2.395825 1.801320 2.055057 1.918428 2.020995 2.374144 1.766382 1.905920 2.037247 2.140085 1.775811 2.653028 1.907796 2.067633 1.846341 1.884052 1.772015 2.363499 1.996292 1.765851 1.776185 2.180161 1.915034 1.657697 3.161960 3.223308 1.667829 1.000028 1.670211 1.667898 3.170767 3.104632 1.768157 3.148834 3.278190 3.253375 27 26 24 25 23 23 22 27 22 27 24 29 21 29 23 23 29 26 24 27 23 24 25 26 21 29 26 25 23 22 21 27 22 30 25 25 28 22 24 26 26 23 29 23 25 22 25 21 27 24 23 23 25 26 21 35 35 21 19 21 21 35 33 24 33 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Mo O Mo Mo Mo Mo Mo O O Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 2.1549 -0.8392 2.1474 2.1834 2.1871 2.1495 2.1080 -0.8540 -0.8371 2.1473 2.1416 2.1461 -1.1347 -0.8558 -1.1281 -1.1363 -0.7779 -0.9412 -0.8341 -0.9206 -0.7841 -0.9115 -0.7884 -0.9417 -0.9304 -0.7813 -0.9209 -0.7851 -0.9210 -0.8392 -0.9311 -0.9494 -0.9393 -0.9584 -0.9404 1.9827 -0.8380 -0.9499 -0.9614 -0.9254 -0.8345 -0.8514 -0.8445 -0.8502 0.2884 1.9770 1.9535 1.9795 1.9673 1.9526 1.9756 1.9794 1.9526 1.9542 1.9719 1.9665 1.9769 1.9024 1.8619 1.9028 1.9018 1.9643 1.9384 1.9588 1.9357 1.9641 1.9369 1.9633 1.9368 1.9383 1.9640 1.9335 1.9646 1.9455 1.9539 1.9423 1.9399 1.9404 1.9404 1.9407 2.3430 1.9540 1.9366 1.9399 1.9441 1.9545 1.9540 1.9533 1.9523 0.5590 6.1369 4.8597 6.1360 6.1263 6.1283 6.1366 6.1584 4.8748 4.8563 6.1404 6.1442 6.1392 5.2065 4.9617 5.1992 5.2070 4.7854 4.9771 4.8482 4.9608 4.7920 4.9500 4.7970 4.9797 4.9668 4.7895 4.9633 4.7922 4.9498 4.8591 4.9644 4.9828 4.9748 4.9915 4.9755 7.0997 4.8577 4.9902 4.9951 4.9559 4.8535 4.8706 4.8652 4.8714 0.1526 3.7312 0.0260 3.7371 3.7230 3.7321 3.7384 3.7541 0.0266 0.0266 3.7404 3.7477 3.7377 0.0259 0.0322 0.0261 0.0274 0.0281 0.0257 0.0271 0.0242 0.0280 0.0246 0.0281 0.0252 0.0253 0.0278 0.0241 0.0282 0.0258 0.0262 0.0243 0.0267 0.0240 0.0264 0.0242 0.5746 0.0263 0.0231 0.0264 0.0254 0.0265 0.0269 0.0259 0.0265 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 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 Mo O Mo Mo Mo Mo Mo O O Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 3.151162 -1.125105 3.140106 3.164600 3.151736 3.157190 3.145347 -1.146329 -1.128733 3.145107 3.148617 3.147755 -1.167716 -0.646524 -1.171915 -1.174110 -1.063488 -1.231752 -1.030717 -1.231603 -1.073420 -1.220547 -1.072718 -1.233135 -1.227507 -1.069716 -1.233120 -1.068563 -1.214385 -1.126181 -1.222061 -1.233688 -1.230948 -1.232992 -1.230501 1.785172 -1.125843 -1.239341 -1.233568 -1.218560 -1.121334 -1.143367 -1.131776 -1.142039 0.026508 2.362405 -0.944738 2.359541 2.348825 2.367636 2.347654 2.341665 -0.959172 -0.938242 2.360161 2.347168 2.361646 -0.853502 -0.774078 -0.855671 -0.852908 -0.871735 -0.924184 -0.876886 -0.948134 -0.879552 -0.955103 -0.881923 -0.930253 -0.945669 -0.878301 -0.936851 -0.871288 -1.012964 -0.942972 -1.021693 -1.013440 -1.022468 -1.008541 -1.028813 1.417492 -0.939422 -1.024838 -1.005454 -1.017118 -0.936980 -0.952253 -0.948367 -0.959114 0.298434 2.451825 -0.922928 2.437413 2.454294 2.450078 2.442935 2.422416 -0.928261 -0.911672 2.437493 2.439900 2.448893 -0.911271 -0.739476 -0.911966 -0.905385 -0.887312 -1.007224 -0.956441 -1.044111 -0.888998 -1.036979 -0.896046 -1.016934 -1.013887 -0.885670 -1.029548 -0.874754 -1.026147 -0.924825 -1.033900 -1.062949 -1.043769 -1.081324 -1.052260 1.371328 -0.912868 -1.066270 -1.083594 -1.032815 -0.915257 -0.921525 -0.920525 -0.919907 0.410221 -25.92523210 -19.58670303 1.00115324 32.50782833 48.38742647 61.39263557 -1.37441421 -1.94296626 2.46346699 -46.44446021 -259.1637 345.3726 -53.1697 -322.8707 -101.4063 -391.2377 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 Mar06-2024 04:58:58 Nodes: 1 Procs: 1 0 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Mar06-2024 04:58:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 04:59:00 Nodes: 1 Procs: 1 Mar06-2024 04:59:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar06-2024 04:59:01 Nodes: 1 Procs: 1 Mar06-2024 04:59:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 04:59:03 Nodes: 1 Procs: 24 *** (NO TITLE) *** -9 -14.32071579 -14.34353642 -14.35136892 -14.35747644 -14.35651324 -14.36105244 -14.36285854 -14.36480278 -14.36582750 -14.36972074 -14.37137320 -14.37202564 -14.37400157 -14.37489319 -14.37622454 -14.37648853 -14.37691384 -14.37704921 -14.37722783 -14.37733340 -14.37741101 -14.37750422 -14.37756032 -14.37759167 -14.37761517 -14.37769481 -14.37772150 -14.37772214 GEOMETRY CONVERGED