ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 12:57:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 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 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 12:57:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 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 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 0 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:20 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 12:57:21 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 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 0 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:20 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 12:57:22 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) 0.44 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 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 0 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:20 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 12:57:22 Nodes: 1 Procs: 1 Mar07-2024 12:57:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 12:57:23 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1707.4020999999973 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3.672141 0.226844 -3.831114 3.647156 -0.190251 -3.846780 -3.618067 0.256150 -3.665382 0.310729 -3.723219 -3.663639 -0.199939 3.853484 3.666305 0.184000 3.831565 -1.591927 -2.422218 -2.786302 -0.621041 -3.341238 -1.232203 1.083378 -1.937325 -2.391929 1 3 -3 0.109743 -2.643574 2.431076 Rho 0.1240649E+06 3,-3 2 3 -3 0.128469 2.607169 -2.405613 Rho 0.1240648E+06 3,-3 3 3 -3 -0.062208 2.527966 2.455230 Rho 0.1240649E+06 3,-3 4 3 -3 2.455861 -2.527988 -0.048679 Rho 0.1240649E+06 3,-3 5 3 -3 2.602710 2.429633 -0.076742 Rho 0.1240650E+06 3,-3 6 3 -3 -2.651408 2.440502 0.213426 Rho 0.1240650E+06 3,-3 7 3 -3 -2.692449 -2.384000 -0.150191 Rho 0.1240650E+06 3,-3 8 3 -3 -2.415307 -0.087516 -2.581240 Rho 0.1240648E+06 3,-3 9 3 -3 -2.436809 0.099629 2.664768 Rho 0.1240649E+06 3,-3 10 3 -3 2.528957 -0.266956 2.602157 Rho 0.1240650E+06 3,-3 11 3 -3 2.522211 0.150236 -2.635375 Rho 0.1240650E+06 3,-3 12 3 -3 -0.054625 -0.017906 -0.011844 Rho 0.1943312E+04 3,-3 13 3 -3 0.922593 -0.999379 0.910012 Rho 0.3186937E+03 3,-3 14 3 -3 -1.102161 -0.890312 -0.916049 Rho 0.3186745E+03 3,-3 15 3 -3 0.921389 0.938337 -0.959822 Rho 0.3186922E+03 3,-3 16 3 -3 -0.950173 0.951111 1.001118 Rho 0.3186886E+03 3,-3 17 3 -3 -3.029793 -1.124876 1.227640 Rho 0.3190151E+03 3,-3 18 3 -3 3.037058 -1.105616 -1.126273 Rho 0.3190232E+03 3,-3 19 3 -3 -2.999955 1.122620 -1.149450 Rho 0.3190162E+03 3,-3 20 3 -3 2.991986 1.164197 1.214272 Rho 0.3190596E+03 3,-3 21 3 -3 1.307726 -1.255532 -3.094218 Rho 0.3188093E+03 3,-3 22 3 -3 1.118528 1.191775 2.981070 Rho 0.3190678E+03 3,-3 23 3 -3 -1.070444 1.080567 -3.057722 Rho 0.3190658E+03 3,-3 24 3 -3 -1.129203 -1.143984 3.075531 Rho 0.3190655E+03 3,-3 25 3 -3 -1.182095 2.987302 -1.180420 Rho 0.3190882E+03 3,-3 26 3 -3 -1.175958 -2.996020 1.169151 Rho 0.3190859E+03 3,-3 27 3 -3 1.118687 3.048135 1.056356 Rho 0.3190260E+03 3,-3 28 3 -3 1.188299 -3.113542 -1.165228 Rho 0.3192844E+03 3,-3 29 3 -3 3.448765 -1.483847 1.599188 Rho 0.3191951E+03 3,-3 30 3 -3 -3.578680 -1.504511 -1.500164 Rho 0.3191685E+03 3,-3 31 3 -3 3.456011 1.494453 -1.509300 Rho 0.3191024E+03 3,-3 32 3 -3 -3.507339 1.481906 1.566358 Rho 0.3191285E+03 3,-3 33 3 -3 1.450298 -1.504381 3.494132 Rho 0.3191179E+03 3,-3 34 3 -3 1.543103 1.496316 -3.464329 Rho 0.3191470E+03 3,-3 35 3 -3 -1.561858 1.598428 3.440340 Rho 0.3191104E+03 3,-3 36 3 -3 -1.808509 -1.698420 -3.455704 Rho 0.3188329E+03 3,-3 37 3 -3 -1.588506 -3.482624 -1.420332 Rho 0.3187780E+03 3,-3 38 3 -3 -1.572787 3.422089 1.448577 Rho 0.3191116E+03 3,-3 39 3 -3 1.573657 -3.437550 1.571798 Rho 0.3191125E+03 3,-3 40 3 -3 1.580010 3.426049 -1.554492 Rho 0.3191280E+03 3,-3 41 3 -3 -0.219894 -3.793405 3.688269 Rho 0.3194485E+03 3,-3 42 3 -3 3.801443 -0.117805 -3.772507 Rho 0.3194517E+03 3,-3 43 3 -3 -0.190673 3.725319 -3.693950 Rho 0.3194542E+03 3,-3 44 3 -3 0.190710 3.787149 3.625504 Rho 0.3194449E+03 3,-3 45 3 -3 3.757522 -3.677318 -0.198194 Rho 0.3194130E+03 3,-3 46 3 -3 3.771463 3.672141 0.226844 Rho 0.3194609E+03 3,-3 47 3 -3 -3.831114 3.647156 -0.190251 Rho 0.3194495E+03 3,-3 48 3 -3 -3.846780 -3.618067 0.256150 Rho 0.3194427E+03 3,-3 49 3 -3 -3.665382 0.310729 -3.723219 Rho 0.3194437E+03 3,-3 50 3 -3 -3.663639 -0.199939 3.853484 Rho 0.3194526E+03 3,-3 51 3 -3 3.666305 0.184000 3.831565 Rho 0.3194467E+03 3,-3 52 3 -3 -1.591927 -2.422218 -2.786302 Rho 0.4302090E+00 3,-3 53 3 -3 -0.621041 -3.341238 -1.232203 Rho 0.4444232E+00 3,-3 54 3 -3 1.083378 -1.937325 -2.391929 Rho 0.4327025E+00 3,-3 55 3 +1 -0.607275 -1.672143 0.495821 Rho 0.8704223E-02 |GRAD(Rho)| 0.6372311E-14 GRAD(Rho)x 0.4517655E-14 GRAD(Rho)y 0.3892693E-14 GRAD(Rho)z 0.2245903E-14 Laplacian 0.3460807E-01 (-1/4)Del**2(Rho)) -0.8652019E-02 Diamond 0.9445194E-03 Metallicity 0.7333631E+00 Ellipticity -0.1434030E+01 Gb(Abramov) 0.6825524E-02 Vb(Abramov) -0.4999030E-02 Hb(Abramov) 0.1826494E-02 Ex_ueg -0.1322386E-02 Ec_ueg -0.3096457E-03 Delta_ex -0.1587207E-02 Delta_ec 0.4893914E-03 Delta_et -0.3353400E-02 Pxc 0.4270643E+01 Qxc -0.3243226E+01 3,+1 56 3 +1 -0.288580 -0.588935 -2.995253 Rho 0.3704872E-02 |GRAD(Rho)| 0.8953256E-17 GRAD(Rho)x -0.8804696E-17 GRAD(Rho)y 0.1157365E-17 GRAD(Rho)z 0.1139577E-17 Laplacian 0.1462426E-01 (-1/4)Del**2(Rho)) -0.3656066E-02 Diamond 0.1752504E-03 Metallicity 0.4179855E+00 Ellipticity -0.1407747E+01 Gb(Abramov) 0.2692074E-02 Vb(Abramov) -0.1728083E-02 Hb(Abramov) 0.9639915E-03 Ex_ueg -0.4233985E-03 Ec_ueg -0.9161113E-04 Delta_ex -0.6140943E-03 Delta_ec 0.3300690E-03 Delta_et -0.1691677E-02 Pxc 0.4621693E+01 Qxc -0.1860503E+01 3,+1 57 3 -1 -3.307424 -3.044107 0.065846 Rho 0.2264163E+00 |GRAD(Rho)| 0.3908116E-15 GRAD(Rho)x -0.2938730E-15 GRAD(Rho)y -0.1587814E-15 GRAD(Rho)z 0.2028813E-15 Laplacian 0.8590087E+00 (-1/4)Del**2(Rho)) -0.2147522E+00 Diamond 0.2813705E+01 Metallicity 0.6747275E+01 Ellipticity 0.1568772E-02 Gb(Abramov) 0.3846668E+00 Vb(Abramov) -0.5545814E+00 Hb(Abramov) -0.1699146E+00 Ex_ueg -0.1019206E+00 Ec_ueg -0.1350517E-01 Delta_ex -0.1021162E+00 Delta_ec 0.1911074E-01 Delta_et -0.2632887E+00 Pxc 0.7546786E+01 Qxc -0.5343391E+01 3,-1 58 3 -1 -3.146668 -1.909038 -0.870160 Rho 0.1755920E+00 |GRAD(Rho)| 0.2358969E-15 GRAD(Rho)x -0.7140827E-16 GRAD(Rho)y -0.1093282E-15 GRAD(Rho)z -0.1964574E-15 Laplacian 0.6759663E+00 (-1/4)Del**2(Rho)) -0.1689916E+00 Diamond 0.1647628E+01 Metallicity 0.5613011E+01 Ellipticity 0.9456380E-01 Gb(Abramov) 0.2707530E+00 Vb(Abramov) -0.3725143E+00 Hb(Abramov) -0.1017614E+00 Ex_ueg -0.7262028E-01 Ec_ueg -0.1010143E-01 Delta_ex -0.7542816E-01 Delta_ec 0.1636848E-01 Delta_et -0.2219150E+00 Pxc 0.7189108E+01 Qxc -0.4608134E+01 3,-1 59 3 +1 -2.319658 -1.084847 -1.322892 Rho 0.2780189E-01 |GRAD(Rho)| 0.1255383E-13 GRAD(Rho)x -0.2804948E-14 GRAD(Rho)y -0.7858206E-15 GRAD(Rho)z -0.1221120E-13 Laplacian 0.1055057E+00 (-1/4)Del**2(Rho)) -0.2637642E-01 Diamond 0.1415437E-01 Metallicity 0.1666458E+01 Ellipticity -0.2800926E+01 Gb(Abramov) 0.2491015E-01 Vb(Abramov) -0.2344388E-01 Hb(Abramov) 0.1466274E-02 Ex_ueg -0.6220387E-02 Ec_ueg -0.1230794E-02 Delta_ex -0.6579964E-02 Delta_ec 0.1484298E-02 Delta_et -0.1349063E-01 Pxc 0.5053964E+01 Qxc -0.4433046E+01 3,+1 60 3 +1 -1.719820 1.700508 -1.784380 Rho 0.1127766E-01 |GRAD(Rho)| 0.2040840E-11 GRAD(Rho)x -0.7033670E-12 GRAD(Rho)y -0.1752300E-11 GRAD(Rho)z -0.7744326E-12 Laplacian 0.5395653E-01 (-1/4)Del**2(Rho)) -0.1348913E-01 Diamond 0.1973937E-02 Metallicity 0.7243266E+00 Ellipticity -0.1273366E+01 Gb(Abramov) 0.1062118E-01 Vb(Abramov) -0.7753223E-02 Hb(Abramov) 0.2867954E-02 Ex_ueg -0.1867858E-02 Ec_ueg -0.4263270E-03 Delta_ex -0.2605544E-02 Delta_ec 0.6937801E-03 Delta_et -0.5128784E-02 Pxc 0.4381281E+01 Qxc -0.3755576E+01 3,+1 61 3 -1 -2.814573 1.738540 -0.506968 Rho 0.1357639E+00 |GRAD(Rho)| 0.1490689E-11 GRAD(Rho)x -0.2374852E-12 GRAD(Rho)y -0.1027354E-11 GRAD(Rho)z -0.1053707E-11 Laplacian 0.5675804E+00 (-1/4)Del**2(Rho)) -0.1418951E+00 Diamond 0.1004787E+01 Metallicity 0.4354043E+01 Ellipticity 0.1894586E-01 Gb(Abramov) 0.1975663E+00 Vb(Abramov) -0.2532375E+00 Hb(Abramov) -0.5567119E-01 Ex_ueg -0.5153440E-01 Ec_ueg -0.7538521E-02 Delta_ex -0.5930940E-01 Delta_ec 0.1444058E-01 Delta_et -0.1887970E+00 Pxc 0.6836142E+01 Qxc -0.4107136E+01 3,-1 62 3 +1 -2.929243 0.154106 0.197329 Rho 0.5381981E-02 |GRAD(Rho)| 0.3062738E-17 GRAD(Rho)x -0.5506539E-18 GRAD(Rho)y 0.1174948E-17 GRAD(Rho)z -0.2774282E-17 Laplacian 0.2226522E-01 (-1/4)Del**2(Rho)) -0.5566305E-02 Diamond 0.5467805E-03 Metallicity 0.5115519E+00 Ellipticity -0.2616618E+01 Gb(Abramov) 0.4185446E-02 Vb(Abramov) -0.2804586E-02 Hb(Abramov) 0.1380859E-02 Ex_ueg -0.6965857E-03 Ec_ueg -0.1633878E-03 Delta_ex -0.1100645E-02 Delta_ec 0.6613296E-03 Delta_et -0.3687745E-02 Pxc 0.4263388E+01 Qxc -0.1664291E+01 3,+1 63 3 +1 -2.206618 1.114797 1.381260 Rho 0.2514878E-01 |GRAD(Rho)| 0.2891843E-15 GRAD(Rho)x -0.1224926E-15 GRAD(Rho)y -0.1171743E-15 GRAD(Rho)z 0.2342932E-15 Laplacian 0.9336308E-01 (-1/4)Del**2(Rho)) -0.2334077E-01 Diamond 0.1148650E-01 Metallicity 0.1593308E+01 Ellipticity -0.3207552E+01 Gb(Abramov) 0.2175868E-01 Vb(Abramov) -0.2017660E-01 Hb(Abramov) 0.1582086E-02 Ex_ueg -0.5441781E-02 Ec_ueg -0.1096208E-02 Delta_ex -0.5727049E-02 Delta_ec 0.1425684E-02 Delta_et -0.1263917E-01 Pxc 0.4964186E+01 Qxc -0.4017054E+01 3,+1 64 3 -1 -3.088533 1.922479 0.931505 Rho 0.1637252E+00 |GRAD(Rho)| 0.3478464E-15 GRAD(Rho)x -0.1626574E-15 GRAD(Rho)y 0.5407458E-17 GRAD(Rho)z 0.3074255E-15 Laplacian 0.6297925E+00 (-1/4)Del**2(Rho)) -0.1574481E+00 Diamond 0.1414701E+01 Metallicity 0.5361360E+01 Ellipticity 0.7266916E-01 Gb(Abramov) 0.2456548E+00 Vb(Abramov) -0.3338614E+00 Hb(Abramov) -0.8820664E-01 Ex_ueg -0.6615142E-01 Ec_ueg -0.9327838E-02 Delta_ex -0.6908641E-01 Delta_ec 0.1558213E-01 Delta_et -0.2097010E+00 Pxc 0.7091827E+01 Qxc -0.4433696E+01 3,-1 65 3 +1 -1.208354 1.273496 2.212925 Rho 0.2809598E-01 |GRAD(Rho)| 0.1055974E-14 GRAD(Rho)x -0.9538615E-15 GRAD(Rho)y 0.4411485E-15 GRAD(Rho)z -0.1030366E-15 Laplacian 0.1103740E+00 (-1/4)Del**2(Rho)) -0.2759351E-01 Diamond 0.1735591E-01 Metallicity 0.1621137E+01 Ellipticity -0.5682994E+01 Gb(Abramov) 0.2585115E-01 Vb(Abramov) -0.2410879E-01 Hb(Abramov) 0.1742360E-02 Ex_ueg -0.6308274E-02 Ec_ueg -0.1245820E-02 Delta_ex -0.7120293E-02 Delta_ec 0.1939669E-02 Delta_et -0.1760330E-01 Pxc 0.5063551E+01 Qxc -0.3670880E+01 3,+1 66 3 -1 -1.607257 -2.757515 -2.323845 Rho 0.4482576E-01 |GRAD(Rho)| 0.1193202E-15 GRAD(Rho)x -0.1193648E-16 GRAD(Rho)y -0.4185785E-16 GRAD(Rho)z 0.1110980E-15 Laplacian 0.1160076E+00 (-1/4)Del**2(Rho)) -0.2900189E-01 Diamond 0.7936871E-01 Metallicity 0.3360003E+01 Ellipticity 0.2426809E-01 Gb(Abramov) 0.3557567E-01 Vb(Abramov) -0.4214945E-01 Hb(Abramov) -0.6573777E-02 Ex_ueg -0.1176040E-01 Ec_ueg -0.2130923E-02 Delta_ex -0.1072061E-01 Delta_ec 0.6012088E-02 Delta_et -0.6209983E-01 Pxc 0.5518922E+01 Qxc -0.1783176E+01 3,-1 67 3 +1 -1.541475 -1.934509 -1.856342 Rho 0.1257036E-01 |GRAD(Rho)| 0.2829878E-16 GRAD(Rho)x -0.7016397E-17 GRAD(Rho)y 0.2691122E-16 GRAD(Rho)z 0.5232334E-17 Laplacian 0.5562874E-01 (-1/4)Del**2(Rho)) -0.1390719E-01 Diamond 0.2247135E-02 Metallicity 0.8418347E+00 Ellipticity -0.1327651E+01 Gb(Abramov) 0.1122272E-01 Vb(Abramov) -0.8538246E-02 Hb(Abramov) 0.2684470E-02 Ex_ueg -0.2158649E-02 Ec_ueg -0.4859625E-03 Delta_ex -0.2733243E-02 Delta_ec 0.6597237E-03 Delta_et -0.5049890E-02 Pxc 0.4442008E+01 Qxc -0.4143012E+01 3,+1 68 3 +1 0.090392 -2.975851 0.085123 Rho 0.5178377E-02 |GRAD(Rho)| 0.8393741E-17 GRAD(Rho)x -0.5986405E-17 GRAD(Rho)y -0.1651714E-18 GRAD(Rho)z 0.5881373E-17 Laplacian 0.2048819E-01 (-1/4)Del**2(Rho)) -0.5122047E-02 Diamond 0.4984268E-03 Metallicity 0.5213136E+00 Ellipticity -0.3471603E+01 Gb(Abramov) 0.3859730E-02 Vb(Abramov) -0.2597413E-02 Hb(Abramov) 0.1262317E-02 Ex_ueg -0.6616728E-03 Ec_ueg -0.1545972E-03 Delta_ex -0.1023443E-02 Delta_ec 0.6413363E-03 Delta_et -0.3521379E-02 Pxc 0.4279981E+01 Qxc -0.1595797E+01 3,+1 69 3 -1 -1.893875 -2.691011 0.538742 Rho 0.8841965E-01 |GRAD(Rho)| 0.1362413E-12 GRAD(Rho)x -0.1078890E-12 GRAD(Rho)y 0.2391991E-13 GRAD(Rho)z -0.7968367E-13 Laplacian 0.3700955E+00 (-1/4)Del**2(Rho)) -0.9252388E-01 Diamond 0.3991355E+00 Metallicity 0.3267488E+01 Ellipticity 0.7308903E-02 Gb(Abramov) 0.1120694E+00 Vb(Abramov) -0.1316148E+00 Hb(Abramov) -0.1954548E-01 Ex_ueg -0.2909266E-01 Ec_ueg -0.4629069E-02 Delta_ex -0.3510491E-01 Delta_ec 0.1068579E-01 Delta_et -0.1295037E+00 Pxc 0.6284776E+01 Qxc -0.3285194E+01 3,-1 70 3 -1 -0.837749 -3.371011 -1.272335 Rho 0.3219225E+00 |GRAD(Rho)| 0.5826735E-15 GRAD(Rho)x 0.2925749E-15 GRAD(Rho)y -0.4113735E-15 GRAD(Rho)z 0.2909985E-15 Laplacian -0.1667312E+01 (-1/4)Del**2(Rho)) 0.4168281E+00 Diamond 0.5781534E+01 Metallicity -0.6249544E+01 Ellipticity 0.5390329E-02 Gb(Abramov) 0.1562789E+00 Vb(Abramov) -0.7293858E+00 Hb(Abramov) -0.5731069E+00 Ex_ueg -0.1629496E+00 Ec_ueg -0.2028647E-01 Delta_ex 0.1667415E+00 Delta_ec 0.5760877E-01 Delta_et -0.1372930E+01 Pxc 0.8032428E+01 Qxc 0.2894377E+01 3,-1 71 3 -1 -0.536945 -1.850312 2.756651 Rho 0.1008159E+00 |GRAD(Rho)| 0.2509113E-13 GRAD(Rho)x 0.1433155E-13 GRAD(Rho)y -0.1983436E-13 GRAD(Rho)z -0.5547021E-14 Laplacian 0.4175100E+00 (-1/4)Del**2(Rho)) -0.1043775E+00 Diamond 0.5272737E+00 Metallicity 0.3604356E+01 Ellipticity 0.1162209E-01 Gb(Abramov) 0.1322873E+00 Vb(Abramov) -0.1601970E+00 Hb(Abramov) -0.2790978E-01 Ex_ueg -0.3465428E-01 Ec_ueg -0.5374500E-02 Delta_ex -0.4081350E-01 Delta_ec 0.1170875E-01 Delta_et -0.1457890E+00 Pxc 0.6447907E+01 Qxc -0.3485726E+01 3,-1 72 3 -1 -0.576668 -2.810356 1.759151 Rho 0.1721020E+00 |GRAD(Rho)| 0.2702397E-15 GRAD(Rho)x 0.1468552E-15 GRAD(Rho)y -0.1305379E-15 GRAD(Rho)z -0.1855341E-15 Laplacian 0.7076687E+00 (-1/4)Del**2(Rho)) -0.1769172E+00 Diamond 0.1660885E+01 Metallicity 0.5185133E+01 Ellipticity 0.3667141E-01 Gb(Abramov) 0.2708346E+00 Vb(Abramov) -0.3647521E+00 Hb(Abramov) -0.9391745E-01 Ex_ueg -0.7070223E-01 Ec_ueg -0.9873070E-02 Delta_ex -0.7837886E-01 Delta_ec 0.1688673E-01 Delta_et -0.2274772E+00 Pxc 0.7161119E+01 Qxc -0.4641448E+01 3,-1 73 3 +3 0.910058 -1.150306 -1.221364 Rho 0.4188627E-02 |GRAD(Rho)| 0.5613496E-13 GRAD(Rho)x 0.3828780E-13 GRAD(Rho)y 0.4087193E-13 GRAD(Rho)z 0.3829280E-14 Laplacian 0.1595859E-01 (-1/4)Del**2(Rho)) -0.3989646E-02 Diamond 0.1159884E-03 Metallicity 0.4699716E+00 Ellipticity -0.4459022E+00 Gb(Abramov) 0.2972268E-02 Vb(Abramov) -0.1954889E-02 Hb(Abramov) 0.1017379E-02 Ex_ueg -0.4986709E-03 Ec_ueg -0.1121650E-03 Delta_ex -0.5585878E-03 Delta_ec 0.1301505E-03 Delta_et -0.8230720E-03 Pxc 0.4445870E+01 Qxc -0.4291861E+01 3,+3 74 3 +1 -2.269224 -2.144437 -2.002271 Rho 0.1313154E-01 |GRAD(Rho)| 0.2372036E-16 GRAD(Rho)x 0.1210447E-16 GRAD(Rho)y 0.2034066E-16 GRAD(Rho)z -0.1547581E-17 Laplacian 0.5726107E-01 (-1/4)Del**2(Rho)) -0.1431527E-01 Diamond 0.2340944E-02 Metallicity 0.8795890E+00 Ellipticity -0.1331951E+01 Gb(Abramov) 0.1164210E-01 Vb(Abramov) -0.8968939E-02 Hb(Abramov) 0.2673164E-02 Ex_ueg -0.2288087E-02 Ec_ueg -0.5120536E-03 Delta_ex -0.2817090E-02 Delta_ec 0.6263277E-03 Delta_et -0.4885905E-02 Pxc 0.4468453E+01 Qxc -0.4497788E+01 3,+1 75 3 +1 -0.112587 -2.161919 -1.069248 Rho 0.6703706E-02 |GRAD(Rho)| 0.1875854E-16 GRAD(Rho)x -0.1333569E-16 GRAD(Rho)y 0.1236668E-16 GRAD(Rho)z 0.4594307E-17 Laplacian 0.2558162E-01 (-1/4)Del**2(Rho)) -0.6395404E-02 Diamond 0.7689540E-03 Metallicity 0.6420124E+00 Ellipticity -0.2718229E+01 Gb(Abramov) 0.4947924E-02 Vb(Abramov) -0.3500444E-02 Hb(Abramov) 0.1447480E-02 Ex_ueg -0.9335516E-03 Ec_ueg -0.2209512E-03 Delta_ex -0.1274628E-02 Delta_ec 0.6752466E-03 Delta_et -0.4054020E-02 Pxc 0.4225148E+01 Qxc -0.1887649E+01 3,+1 76 3 +3 -0.109607 -2.340979 -0.165798 Rho 0.4101565E-02 |GRAD(Rho)| 0.3119968E-14 GRAD(Rho)x 0.1557534E-14 GRAD(Rho)y 0.2312366E-14 GRAD(Rho)z 0.1400447E-14 Laplacian 0.1655138E-01 (-1/4)Del**2(Rho)) -0.4137846E-02 Diamond 0.1106536E-03 Metallicity 0.4375506E+00 Ellipticity -0.3186176E+00 Gb(Abramov) 0.3060317E-02 Vb(Abramov) -0.1982787E-02 Hb(Abramov) 0.1077529E-02 Ex_ueg -0.4848989E-03 Ec_ueg -0.1084568E-03 Delta_ex -0.5686384E-03 Delta_ec 0.1214642E-03 Delta_et -0.7858527E-03 Pxc 0.4470896E+01 Qxc -0.4681530E+01 3,+3 77 3 -1 -0.421486 0.382480 0.407761 Rho 0.1352179E+00 |GRAD(Rho)| 0.7828663E-15 GRAD(Rho)x -0.4262987E-15 GRAD(Rho)y 0.3710855E-15 GRAD(Rho)z 0.5417052E-15 Laplacian 0.7027181E+00 (-1/4)Del**2(Rho)) -0.1756795E+00 Diamond 0.1515566E+01 Metallicity 0.3493192E+01 Ellipticity 0.5142347E-02 Gb(Abramov) 0.2194001E+00 Vb(Abramov) -0.2631206E+00 Hb(Abramov) -0.4372054E-01 Ex_ueg -0.5125828E-01 Ec_ueg -0.7504073E-02 Delta_ex -0.7653356E-01 Delta_ec 0.2356497E-01 Delta_et -0.3193622E+00 Pxc 0.6830728E+01 Qxc -0.3247769E+01 3,-1 78 3 +1 0.429545 -0.745053 -1.756632 Rho 0.5538854E-02 |GRAD(Rho)| 0.1569117E-14 GRAD(Rho)x 0.1345092E-14 GRAD(Rho)y 0.5706292E-15 GRAD(Rho)z -0.5720471E-15 Laplacian 0.2150148E-01 (-1/4)Del**2(Rho)) -0.5375370E-02 Diamond 0.4347302E-03 Metallicity 0.5557055E+00 Ellipticity -0.1692259E+01 Gb(Abramov) 0.4081434E-02 Vb(Abramov) -0.2787497E-02 Hb(Abramov) 0.1293936E-02 Ex_ueg -0.7237884E-03 Ec_ueg -0.1701751E-03 Delta_ex -0.9765579E-03 Delta_ec 0.4735999E-03 Delta_et -0.2733464E-02 Pxc 0.4253198E+01 Qxc -0.2061989E+01 3,+1 79 3 +3 0.068637 -0.076822 2.336433 Rho 0.4601998E-02 |GRAD(Rho)| 0.2344551E-14 GRAD(Rho)x -0.2265109E-14 GRAD(Rho)y 0.4235944E-15 GRAD(Rho)z -0.4321677E-15 Laplacian 0.1895910E-01 (-1/4)Del**2(Rho)) -0.4739774E-02 Diamond 0.1640830E-03 Metallicity 0.4627781E+00 Ellipticity -0.4443422E+00 Gb(Abramov) 0.3525427E-02 Vb(Abramov) -0.2311079E-02 Hb(Abramov) 0.1214348E-02 Ex_ueg -0.5653450E-03 Ec_ueg -0.1298255E-03 Delta_ex -0.6877531E-03 Delta_ec 0.1685021E-03 Delta_et -0.1067256E-02 Pxc 0.4354652E+01 Qxc -0.4081569E+01 3,+3 80 3 +1 -0.527034 0.516757 -1.680884 Rho 0.9174202E-02 |GRAD(Rho)| 0.9667838E-17 GRAD(Rho)x -0.4790315E-17 GRAD(Rho)y 0.1309592E-17 GRAD(Rho)z -0.8294875E-17 Laplacian 0.3696687E-01 (-1/4)Del**2(Rho)) -0.9241717E-02 Diamond 0.1053282E-02 Metallicity 0.7494586E+00 Ellipticity -0.1409699E+01 Gb(Abramov) 0.7315526E-02 Vb(Abramov) -0.5389334E-02 Hb(Abramov) 0.1926192E-02 Ex_ueg -0.1418435E-02 Ec_ueg -0.3307441E-03 Delta_ex -0.1705513E-02 Delta_ec 0.5001543E-03 Delta_et -0.3491629E-02 Pxc 0.4288617E+01 Qxc -0.3409975E+01 3,+1 81 3 +3 -1.107654 1.139138 -1.098969 Rho 0.5115787E-02 |GRAD(Rho)| 0.5887078E-17 GRAD(Rho)x 0.1327215E-17 GRAD(Rho)y -0.8455308E-18 GRAD(Rho)z -0.5672854E-17 Laplacian 0.2001935E-01 (-1/4)Del**2(Rho)) -0.5004838E-02 Diamond 0.1456186E-03 Metallicity 0.5228179E+00 Ellipticity -0.3526802E+00 Gb(Abramov) 0.3772662E-02 Vb(Abramov) -0.2540486E-02 Hb(Abramov) 0.1232176E-02 Ex_ueg -0.6510309E-03 Ec_ueg -0.1518990E-03 Delta_ex -0.6972948E-03 Delta_ec 0.9037715E-04 Delta_et -0.7119731E-03 Pxc 0.4285947E+01 Qxc -0.7715388E+01 3,+3 82 3 +1 -0.578699 1.675171 -0.486596 Rho 0.8442636E-02 |GRAD(Rho)| 0.6668522E-16 GRAD(Rho)x 0.4299485E-16 GRAD(Rho)y -0.7344718E-17 GRAD(Rho)z -0.5044222E-16 Laplacian 0.3310758E-01 (-1/4)Del**2(Rho)) -0.8276896E-02 Diamond 0.8647281E-03 Metallicity 0.7285887E+00 Ellipticity -0.1433757E+01 Gb(Abramov) 0.6523006E-02 Vb(Abramov) -0.4769116E-02 Hb(Abramov) 0.1753890E-02 Ex_ueg -0.1269665E-02 Ec_ueg -0.2979447E-03 Delta_ex -0.1505779E-02 Delta_ec 0.4664920E-03 Delta_et -0.3172837E-02 Pxc 0.4261411E+01 Qxc -0.3227878E+01 3,+1 83 3 +3 -0.241245 -0.564004 -2.636541 Rho 0.3608795E-02 |GRAD(Rho)| 0.1758746E-14 GRAD(Rho)x -0.1095926E-14 GRAD(Rho)y -0.4668115E-15 GRAD(Rho)z 0.1293917E-14 Laplacian 0.1434566E-01 (-1/4)Del**2(Rho)) -0.3586415E-02 Diamond 0.1348040E-03 Metallicity 0.4078460E+00 Ellipticity -0.8282692E+00 Gb(Abramov) 0.2634728E-02 Vb(Abramov) -0.1683040E-02 Hb(Abramov) 0.9516875E-03 Ex_ueg -0.4088223E-03 Ec_ueg -0.8754379E-04 Delta_ex -0.5544854E-03 Delta_ec 0.2440369E-03 Delta_et -0.1287238E-02 Pxc 0.4669918E+01 Qxc -0.2272137E+01 3,+3 84 3 +3 -0.077278 2.303364 0.006473 Rho 0.4826896E-02 |GRAD(Rho)| 0.1423167E-16 GRAD(Rho)x -0.5737211E-17 GRAD(Rho)y 0.6767653E-17 GRAD(Rho)z -0.1112761E-16 Laplacian 0.2001939E-01 (-1/4)Del**2(Rho)) -0.5004849E-02 Diamond 0.1800679E-03 Metallicity 0.4745428E+00 Ellipticity -0.4108218E+00 Gb(Abramov) 0.3732402E-02 Vb(Abramov) -0.2459955E-02 Hb(Abramov) 0.1272447E-02 Ex_ueg -0.6024795E-03 Ec_ueg -0.1394710E-03 Delta_ex -0.7305280E-03 Delta_ec 0.1695961E-03 Delta_et -0.1098348E-02 Pxc 0.4319746E+01 Qxc -0.4307457E+01 3,+3 85 3 +3 -1.123282 -1.099717 1.155003 Rho 0.4864193E-02 |GRAD(Rho)| 0.2299673E-14 GRAD(Rho)x -0.1489851E-14 GRAD(Rho)y -0.1211579E-14 GRAD(Rho)z -0.1265274E-14 Laplacian 0.1910273E-01 (-1/4)Del**2(Rho)) -0.4775683E-02 Diamond 0.1280246E-03 Metallicity 0.5037353E+00 Ellipticity -0.1226549E+00 Gb(Abramov) 0.3584735E-02 Vb(Abramov) -0.2393788E-02 Hb(Abramov) 0.1190948E-02 Ex_ueg -0.6086946E-03 Ec_ueg -0.1410732E-03 Delta_ex -0.6545413E-03 Delta_ec 0.8339416E-04 Delta_et -0.6592684E-03 Pxc 0.4314744E+01 Qxc -0.7848767E+01 3,+3 86 3 +1 1.331594 -2.216367 1.087390 Rho 0.2707046E-01 |GRAD(Rho)| 0.2428216E-16 GRAD(Rho)x 0.1050727E-16 GRAD(Rho)y -0.8613875E-17 GRAD(Rho)z 0.2012515E-16 Laplacian 0.1037124E+00 (-1/4)Del**2(Rho)) -0.2592810E-01 Diamond 0.1444257E-01 Metallicity 0.1621593E+01 Ellipticity -0.3574292E+01 Gb(Abramov) 0.2429287E-01 Vb(Abramov) -0.2265765E-01 Hb(Abramov) 0.1635228E-02 Ex_ueg -0.6003152E-02 Ec_ueg -0.1193513E-02 Delta_ex -0.6521611E-02 Delta_ec 0.1639141E-02 Delta_et -0.1477240E-01 Pxc 0.5029815E+01 Qxc -0.3978677E+01 3,+1 87 3 -1 0.517753 1.737285 -1.657650 Rho 0.5259276E-01 |GRAD(Rho)| 0.1961363E-15 GRAD(Rho)x -0.8935795E-16 GRAD(Rho)y 0.1158089E-15 GRAD(Rho)z -0.1306633E-15 Laplacian 0.2026256E+00 (-1/4)Del**2(Rho)) -0.5065640E-01 Diamond 0.1097439E+00 Metallicity 0.2510704E+01 Ellipticity 0.8320555E-02 Gb(Abramov) 0.5496814E-01 Vb(Abramov) -0.5927987E-01 Hb(Abramov) -0.4311734E-02 Ex_ueg -0.1455302E-01 Ec_ueg -0.2558686E-02 Delta_ex -0.1688138E-01 Delta_ec 0.6014972E-02 Delta_et -0.6425940E-01 Pxc 0.5687692E+01 Qxc -0.2806560E+01 3,-1 88 3 +1 0.490730 1.687121 0.491090 Rho 0.8764025E-02 |GRAD(Rho)| 0.2883794E-15 GRAD(Rho)x 0.1906540E-15 GRAD(Rho)y -0.2787748E-17 GRAD(Rho)z -0.2163469E-15 Laplacian 0.3477393E-01 (-1/4)Del**2(Rho)) -0.8693482E-02 Diamond 0.9171537E-03 Metallicity 0.7382420E+00 Ellipticity -0.1393057E+01 Gb(Abramov) 0.6865304E-02 Vb(Abramov) -0.5037125E-02 Hb(Abramov) 0.1828178E-02 Ex_ueg -0.1334514E-02 Ec_ueg -0.3123250E-03 Delta_ex -0.1579659E-02 Delta_ec 0.4597378E-03 Delta_et -0.3181477E-02 Pxc 0.4272838E+01 Qxc -0.3436000E+01 3,+1 89 3 +3 1.112056 1.053162 1.083673 Rho 0.4737023E-02 |GRAD(Rho)| 0.2055620E-14 GRAD(Rho)x -0.1422999E-14 GRAD(Rho)y -0.1139500E-14 GRAD(Rho)z -0.9498342E-15 Laplacian 0.1847529E-01 (-1/4)Del**2(Rho)) -0.4618822E-02 Diamond 0.1234986E-03 Metallicity 0.4983462E+00 Ellipticity -0.2872984E+00 Gb(Abramov) 0.3462843E-02 Vb(Abramov) -0.2306865E-02 Hb(Abramov) 0.1155979E-02 Ex_ueg -0.5875693E-03 Ec_ueg -0.1356134E-03 Delta_ex -0.6324936E-03 Delta_ec 0.8793996E-04 Delta_et -0.6706704E-03 Pxc 0.4332677E+01 Qxc -0.7192334E+01 3,+3 90 3 +1 0.555134 0.449935 1.678685 Rho 0.8397917E-02 |GRAD(Rho)| 0.4720157E-15 GRAD(Rho)x 0.9250959E-16 GRAD(Rho)y -0.3761854E-15 GRAD(Rho)z -0.2696763E-15 Laplacian 0.3342045E-01 (-1/4)Del**2(Rho)) -0.8355112E-02 Diamond 0.8759177E-03 Metallicity 0.7154076E+00 Ellipticity -0.1427698E+01 Gb(Abramov) 0.6566293E-02 Vb(Abramov) -0.4777474E-02 Hb(Abramov) 0.1788819E-02 Ex_ueg -0.1260706E-02 Ec_ueg -0.2959475E-03 Delta_ex -0.1522302E-02 Delta_ec 0.4786323E-03 Delta_et -0.3244640E-02 Pxc 0.4259898E+01 Qxc -0.3180524E+01 3,+1 91 3 -1 0.563480 1.813278 2.717336 Rho 0.1621599E+00 |GRAD(Rho)| 0.2197723E-15 GRAD(Rho)x 0.1922833E-15 GRAD(Rho)y -0.1061976E-15 GRAD(Rho)z -0.7006657E-17 Laplacian 0.6775514E+00 (-1/4)Del**2(Rho)) -0.1693879E+00 Diamond 0.1481733E+01 Metallicity 0.4904296E+01 Ellipticity 0.2936709E-01 Gb(Abramov) 0.2513799E+00 Vb(Abramov) -0.3333720E+00 Hb(Abramov) -0.8199207E-01 Ex_ueg -0.6530950E-01 Ec_ueg -0.9226413E-02 Delta_ex -0.7394350E-01 Delta_ec 0.1643959E-01 Delta_et -0.2200329E+00 Pxc 0.7078536E+01 Qxc -0.4497892E+01 3,-1 92 3 +1 1.719246 1.784309 1.721187 Rho 0.1196467E-01 |GRAD(Rho)| 0.3753164E-14 GRAD(Rho)x -0.1838586E-14 GRAD(Rho)y 0.3031973E-14 GRAD(Rho)z -0.1230035E-14 Laplacian 0.5864248E-01 (-1/4)Del**2(Rho)) -0.1466062E-01 Diamond 0.2340688E-02 Metallicity 0.7354767E+00 Ellipticity -0.1281332E+01 Gb(Abramov) 0.1157084E-01 Vb(Abramov) -0.8481054E-02 Hb(Abramov) 0.3089782E-02 Ex_ueg -0.2021092E-02 Ec_ueg -0.4579384E-03 Delta_ex -0.2880399E-02 Delta_ec 0.7613631E-03 Delta_et -0.5704697E-02 Pxc 0.4413459E+01 Qxc -0.3783213E+01 3,+1 93 3 +1 1.175661 1.271551 -2.194595 Rho 0.2571251E-01 |GRAD(Rho)| 0.1877509E-11 GRAD(Rho)x -0.1396641E-11 GRAD(Rho)y 0.5206095E-12 GRAD(Rho)z 0.1141665E-11 Laplacian 0.9931463E-01 (-1/4)Del**2(Rho)) -0.2482866E-01 Diamond 0.1380004E-01 Metallicity 0.1554202E+01 Ellipticity -0.4751024E+01 Gb(Abramov) 0.2298390E-01 Vb(Abramov) -0.2113913E-01 Hb(Abramov) 0.1844762E-02 Ex_ueg -0.5605027E-02 Ec_ueg -0.1124654E-02 Delta_ex -0.6254625E-02 Delta_ec 0.1741024E-02 Delta_et -0.1546230E-01 Pxc 0.4983777E+01 Qxc -0.3592498E+01 3,+1 94 3 -1 0.864606 2.009942 -2.944305 Rho 0.9484291E-01 |GRAD(Rho)| 0.8013558E-16 GRAD(Rho)x 0.1261740E-16 GRAD(Rho)y 0.5297683E-16 GRAD(Rho)z 0.5878747E-16 Laplacian 0.3694569E+00 (-1/4)Del**2(Rho)) -0.9236421E-01 Diamond 0.4310823E+00 Metallicity 0.3678953E+01 Ellipticity 0.1447416E-01 Gb(Abramov) 0.1182101E+00 Vb(Abramov) -0.1440559E+00 Hb(Abramov) -0.2584586E-01 Ex_ueg -0.3194417E-01 Ec_ueg -0.5013727E-02 Delta_ex -0.3556543E-01 Delta_ec 0.1042319E-01 Delta_et -0.1281023E+00 Pxc 0.6371341E+01 Qxc -0.3412144E+01 3,-1 95 3 -1 -1.669324 0.520508 1.799610 Rho 0.4758219E-01 |GRAD(Rho)| 0.1046314E-15 GRAD(Rho)x 0.6464365E-16 GRAD(Rho)y 0.5347827E-16 GRAD(Rho)z -0.6252204E-16 Laplacian 0.1840210E+00 (-1/4)Del**2(Rho)) -0.4600524E-01 Diamond 0.8674189E-01 Metallicity 0.2339663E+01 Ellipticity 0.1750181E-01 Gb(Abramov) 0.4860962E-01 Vb(Abramov) -0.5121400E-01 Hb(Abramov) -0.2604376E-02 Ex_ueg -0.1273438E-01 Ec_ueg -0.2281669E-02 Delta_ex -0.1493830E-01 Delta_ec 0.5446901E-02 Delta_et -0.5668582E-01 Pxc 0.5581168E+01 Qxc -0.2742532E+01 3,-1 96 3 +1 1.149618 -1.306830 2.176272 Rho 0.2455885E-01 |GRAD(Rho)| 0.2559732E-16 GRAD(Rho)x -0.3153619E-17 GRAD(Rho)y -0.9204241E-17 GRAD(Rho)z -0.2367614E-16 Laplacian 0.9173259E-01 (-1/4)Del**2(Rho)) -0.2293315E-01 Diamond 0.1147693E-01 Metallicity 0.1558725E+01 Ellipticity -0.3916684E+01 Gb(Abramov) 0.2124651E-01 Vb(Abramov) -0.1955988E-01 Hb(Abramov) 0.1686636E-02 Ex_ueg -0.5272248E-02 Ec_ueg -0.1066529E-02 Delta_ex -0.5652616E-02 Delta_ec 0.1510918E-02 Delta_et -0.1329029E-01 Pxc 0.4943371E+01 Qxc -0.3741181E+01 3,+1 97 3 -1 1.662284 -1.733570 0.430298 Rho 0.5013617E-01 |GRAD(Rho)| 0.1469288E-15 GRAD(Rho)x -0.1172929E-15 GRAD(Rho)y 0.6553960E-16 GRAD(Rho)z 0.5945600E-16 Laplacian 0.1892165E+00 (-1/4)Del**2(Rho)) -0.4730412E-01 Diamond 0.9631500E-01 Metallicity 0.2482596E+01 Ellipticity 0.1622449E-01 Gb(Abramov) 0.5110892E-01 Vb(Abramov) -0.5491372E-01 Hb(Abramov) -0.3804799E-02 Ex_ueg -0.1365379E-01 Ec_ueg -0.2422402E-02 Delta_ex -0.1558729E-01 Delta_ec 0.5640906E-02 Delta_et -0.5952537E-01 Pxc 0.5636467E+01 Qxc -0.2763261E+01 3,-1 98 3 +1 2.185404 -1.381772 1.088036 Rho 0.2407025E-01 |GRAD(Rho)| 0.4960417E-16 GRAD(Rho)x -0.4765755E-16 GRAD(Rho)y 0.1367583E-16 GRAD(Rho)z -0.1517430E-17 Laplacian 0.8979527E-01 (-1/4)Del**2(Rho)) -0.2244882E-01 Diamond 0.1026607E-01 Metallicity 0.1539905E+01 Ellipticity -0.2836652E+01 Gb(Abramov) 0.2072739E-01 Vb(Abramov) -0.1900595E-01 Hb(Abramov) 0.1721432E-02 Ex_ueg -0.5132856E-02 Ec_ueg -0.1042017E-02 Delta_ex -0.5427936E-02 Delta_ec 0.1344028E-02 Delta_et -0.1180059E-01 Pxc 0.4925884E+01 Qxc -0.4038558E+01 3,+1 99 3 +1 2.936927 -0.185193 0.253900 Rho 0.5196138E-02 |GRAD(Rho)| 0.1392863E-17 GRAD(Rho)x -0.6708211E-18 GRAD(Rho)y 0.9614320E-19 GRAD(Rho)z -0.1216890E-17 Laplacian 0.2150960E-01 (-1/4)Del**2(Rho)) -0.5377401E-02 Diamond 0.4753322E-03 Metallicity 0.4994000E+00 Ellipticity -0.2019092E+01 Gb(Abramov) 0.4032513E-02 Vb(Abramov) -0.2687625E-02 Hb(Abramov) 0.1344888E-02 Ex_ueg -0.6647005E-03 Ec_ueg -0.1553632E-03 Delta_ex -0.1030759E-02 Delta_ec 0.5939980E-03 Delta_et -0.3296924E-02 Pxc 0.4278366E+01 Qxc -0.1735290E+01 3,+1 100 3 +1 1.667785 -0.504746 -0.544809 Rho 0.8581518E-02 |GRAD(Rho)| 0.2759745E-13 GRAD(Rho)x -0.9890508E-14 GRAD(Rho)y -0.8557364E-14 GRAD(Rho)z 0.2430162E-13 Laplacian 0.3405434E-01 (-1/4)Del**2(Rho)) -0.8513584E-02 Diamond 0.8870985E-03 Metallicity 0.7278595E+00 Ellipticity -0.1401352E+01 Gb(Abramov) 0.6708505E-02 Vb(Abramov) -0.4903426E-02 Hb(Abramov) 0.1805079E-02 Ex_ueg -0.1297589E-02 Ec_ueg -0.3041532E-03 Delta_ex -0.1545140E-02 Delta_ec 0.4617967E-03 Delta_et -0.3168763E-02 Pxc 0.4266235E+01 Qxc -0.3345932E+01 3,+1 101 3 -1 1.696428 -0.620361 1.727095 Rho 0.4145361E-01 |GRAD(Rho)| 0.6124223E-16 GRAD(Rho)x 0.4236668E-16 GRAD(Rho)y 0.1144363E-16 GRAD(Rho)z 0.4271672E-16 Laplacian 0.1610107E+00 (-1/4)Del**2(Rho)) -0.4025267E-01 Diamond 0.6317692E-01 Metallicity 0.2125017E+01 Ellipticity 0.1320755E-01 Gb(Abramov) 0.4109138E-01 Vb(Abramov) -0.4193010E-01 Hb(Abramov) -0.8387120E-03 Ex_ueg -0.1059583E-01 Ec_ueg -0.1948214E-02 Delta_ex -0.1264172E-01 Delta_ec 0.4795758E-02 Delta_et -0.4812023E-01 Pxc 0.5438738E+01 Qxc -0.2636022E+01 3,-1 102 3 +1 1.671821 0.493107 0.546058 Rho 0.7791361E-02 |GRAD(Rho)| 0.2082448E-15 GRAD(Rho)x -0.1362452E-15 GRAD(Rho)y -0.1239015E-16 GRAD(Rho)z -0.1570019E-15 Laplacian 0.3061603E-01 (-1/4)Del**2(Rho)) -0.7654008E-02 Diamond 0.7284320E-03 Metallicity 0.6892125E+00 Ellipticity -0.1417646E+01 Gb(Abramov) 0.5981878E-02 Vb(Abramov) -0.4309749E-02 Hb(Abramov) 0.1672130E-02 Ex_ueg -0.1140782E-02 Ec_ueg -0.2689459E-03 Delta_ex -0.1370559E-02 Delta_ec 0.4420191E-03 Delta_et -0.2935837E-02 Pxc 0.4241680E+01 Qxc -0.3100677E+01 3,+1 103 3 +1 -1.750902 -1.736378 1.797890 Rho 0.1135486E-01 |GRAD(Rho)| 0.8030913E-12 GRAD(Rho)x -0.4360464E-12 GRAD(Rho)y 0.6710376E-12 GRAD(Rho)z -0.6728811E-13 Laplacian 0.5538056E-01 (-1/4)Del**2(Rho)) -0.1384514E-01 Diamond 0.2063754E-02 Metallicity 0.7137707E+00 Ellipticity -0.1262666E+01 Gb(Abramov) 0.1087714E-01 Vb(Abramov) -0.7909131E-02 Hb(Abramov) 0.2968004E-02 Ex_ueg -0.1884925E-02 Ec_ueg -0.4298695E-03 Delta_ex -0.2684925E-02 Delta_ec 0.7224718E-03 Delta_et -0.5341546E-02 Pxc 0.4384877E+01 Qxc -0.3716305E+01 3,+1 104 3 +1 0.193192 -0.175311 2.978852 Rho 0.5387391E-02 |GRAD(Rho)| 0.7745521E-14 GRAD(Rho)x -0.7973538E-15 GRAD(Rho)y 0.7277214E-14 GRAD(Rho)z -0.2529719E-14 Laplacian 0.2219468E-01 (-1/4)Del**2(Rho)) -0.5548671E-02 Diamond 0.5051380E-03 Metallicity 0.5140377E+00 Ellipticity -0.1982749E+01 Gb(Abramov) 0.4174485E-02 Vb(Abramov) -0.2800299E-02 Hb(Abramov) 0.1374186E-02 Ex_ueg -0.6975195E-03 Ec_ueg -0.1636217E-03 Delta_ex -0.1063208E-02 Delta_ec 0.5982283E-03 Delta_et -0.3362790E-02 Pxc 0.4263001E+01 Qxc -0.1777261E+01 3,+1 105 3 -1 0.192672 -1.155407 -1.885575 Rho 0.6003769E-02 |GRAD(Rho)| 0.3319609E-17 GRAD(Rho)x -0.2034573E-17 GRAD(Rho)y 0.1029992E-17 GRAD(Rho)z 0.2412350E-17 Laplacian 0.2327274E-01 (-1/4)Del**2(Rho)) -0.5818186E-02 Diamond 0.8265320E-03 Metallicity 0.5872264E+00 Ellipticity 0.4095056E+00 Gb(Abramov) 0.4448222E-02 Vb(Abramov) -0.3078259E-02 Hb(Abramov) 0.1369963E-02 Ex_ueg -0.8059047E-03 Ec_ueg -0.1903616E-03 Delta_ex -0.1295573E-02 Delta_ec 0.9048108E-03 Delta_et -0.5123058E-02 Pxc 0.4233547E+01 Qxc -0.1431872E+01 3,-1 106 3 +3 2.312002 0.012294 0.040860 Rho 0.4457014E-02 |GRAD(Rho)| 0.9503447E-16 GRAD(Rho)x 0.4669494E-16 GRAD(Rho)y -0.6890502E-16 GRAD(Rho)z 0.4586101E-16 Laplacian 0.1840840E-01 (-1/4)Del**2(Rho)) -0.4602100E-02 Diamond 0.1552843E-03 Metallicity 0.4518598E+00 Ellipticity -0.3123922E+00 Gb(Abramov) 0.3414651E-02 Vb(Abramov) -0.2227201E-02 Hb(Abramov) 0.1187449E-02 Ex_ueg -0.5417227E-03 Ec_ueg -0.1236212E-03 Delta_ex -0.6652827E-03 Delta_ec 0.1689089E-03 Delta_et -0.1054055E-02 Pxc 0.4382116E+01 Qxc -0.3938708E+01 3,+3 107 3 -1 1.696712 0.537653 -1.767599 Rho 0.4135539E-01 |GRAD(Rho)| 0.1214013E-15 GRAD(Rho)x -0.9793564E-16 GRAD(Rho)y 0.5633881E-16 GRAD(Rho)z 0.4441650E-16 Laplacian 0.1590209E+00 (-1/4)Del**2(Rho)) -0.3975521E-01 Diamond 0.6196449E-01 Metallicity 0.2143117E+01 Ellipticity 0.2046981E-01 Gb(Abramov) 0.4070349E-01 Vb(Abramov) -0.4165176E-01 Hb(Abramov) -0.9482753E-03 Ex_ueg -0.1056237E-01 Ec_ueg -0.1942922E-02 Delta_ex -0.1246533E-01 Delta_ec 0.4713697E-02 Delta_et -0.4726359E-01 Pxc 0.5436331E+01 Qxc -0.2644490E+01 3,-1 108 3 -1 1.784013 0.496720 2.784786 Rho 0.9712276E-01 |GRAD(Rho)| 0.5239711E-13 GRAD(Rho)x 0.3680710E-13 GRAD(Rho)y -0.3703173E-13 GRAD(Rho)z -0.4398310E-14 Laplacian 0.4035274E+00 (-1/4)Del**2(Rho)) -0.1008818E+00 Diamond 0.4850165E+00 Metallicity 0.3504359E+01 Ellipticity 0.1205063E-01 Gb(Abramov) 0.1261756E+00 Vb(Abramov) -0.1514693E+00 Hb(Abramov) -0.2529374E-01 Ex_ueg -0.3297209E-01 Ec_ueg -0.5151091E-02 Delta_ex -0.3906804E-01 Delta_ec 0.1134098E-01 Delta_et -0.1400754E+00 Pxc 0.6400991E+01 Qxc -0.3444855E+01 3,-1 109 3 -1 1.992767 0.866210 -3.056685 Rho 0.1663287E+00 |GRAD(Rho)| 0.2212354E-13 GRAD(Rho)x 0.1839539E-13 GRAD(Rho)y -0.1029455E-13 GRAD(Rho)z -0.6714383E-14 Laplacian 0.6456490E+00 (-1/4)Del**2(Rho)) -0.1614123E+00 Diamond 0.1475697E+01 Metallicity 0.5369024E+01 Ellipticity 0.7830951E-01 Gb(Abramov) 0.2520459E+00 Vb(Abramov) -0.3426795E+00 Hb(Abramov) -0.9063363E-01 Ex_ueg -0.6755767E-01 Ec_ueg -0.9496853E-02 Delta_ex -0.7108416E-01 Delta_ec 0.1587340E-01 Delta_et -0.2139313E+00 Pxc 0.7113690E+01 Qxc -0.4478194E+01 3,-1 110 3 +1 2.167088 1.116267 -1.325993 Rho 0.2512737E-01 |GRAD(Rho)| 0.2626076E-16 GRAD(Rho)x 0.2183768E-16 GRAD(Rho)y 0.1449608E-16 GRAD(Rho)z 0.1614637E-17 Laplacian 0.9575413E-01 (-1/4)Del**2(Rho)) -0.2393853E-01 Diamond 0.1255032E-01 Metallicity 0.1551317E+01 Ellipticity -0.4063606E+01 Gb(Abramov) 0.2214840E-01 Vb(Abramov) -0.2035827E-01 Hb(Abramov) 0.1790134E-02 Ex_ueg -0.5435603E-02 Ec_ueg -0.1095129E-02 Delta_ex -0.5956879E-02 Delta_ec 0.1613092E-02 Delta_et -0.1425946E-01 Pxc 0.4963436E+01 Qxc -0.3692833E+01 3,+1 111 3 -1 3.151488 -3.142289 -0.125424 Rho 0.2242083E+00 |GRAD(Rho)| 0.2072103E-10 GRAD(Rho)x 0.1549748E-10 GRAD(Rho)y -0.1365323E-10 GRAD(Rho)z -0.1666935E-11 Laplacian 0.8295914E+00 (-1/4)Del**2(Rho)) -0.2073979E+00 Diamond 0.2699593E+01 Metallicity 0.6873347E+01 Ellipticity 0.8944197E-02 Gb(Abramov) 0.3758515E+00 Vb(Abramov) -0.5443051E+00 Hb(Abramov) -0.1684536E+00 Ex_ueg -0.1005975E+00 Ec_ueg -0.1335431E-01 Delta_ex -0.9845062E-01 Delta_ec 0.1865539E-01 Delta_et -0.2574980E+00 Pxc 0.7532961E+01 Qxc -0.5277328E+01 3,-1 112 3 -1 2.956067 -1.973392 0.813626 Rho 0.7384139E-01 |GRAD(Rho)| 0.2030974E-14 GRAD(Rho)x -0.3235700E-15 GRAD(Rho)y 0.1483769E-14 GRAD(Rho)z 0.1348551E-14 Laplacian 0.2927334E+00 (-1/4)Del**2(Rho)) -0.7318335E-01 Diamond 0.2508705E+00 Metallicity 0.3059431E+01 Ellipticity 0.3192750E-02 Gb(Abramov) 0.8610546E-01 Vb(Abramov) -0.9902758E-01 Hb(Abramov) -0.1292212E-01 Ex_ueg -0.2287976E-01 Ec_ueg -0.3769946E-02 Delta_ex -0.2658549E-01 Delta_ec 0.8638281E-02 Delta_et -0.1004660E+00 Pxc 0.6068990E+01 Qxc -0.3077637E+01 3,-1 113 3 +1 1.385723 2.162674 -1.087164 Rho 0.2587418E-01 |GRAD(Rho)| 0.1112228E-14 GRAD(Rho)x 0.8499572E-15 GRAD(Rho)y 0.4278628E-15 GRAD(Rho)z 0.5758095E-15 Laplacian 0.9668829E-01 (-1/4)Del**2(Rho)) -0.2417207E-01 Diamond 0.1178390E-01 Metallicity 0.1613183E+01 Ellipticity -0.2737287E+01 Gb(Abramov) 0.2261371E-01 Vb(Abramov) -0.2105535E-01 Hb(Abramov) 0.1558361E-02 Ex_ueg -0.5652066E-02 Ec_ueg -0.1132828E-02 Delta_ex -0.5916026E-02 Delta_ec 0.1367591E-02 Delta_et -0.1223021E-01 Pxc 0.4989342E+01 Qxc -0.4325872E+01 3,+1 114 3 -1 3.206246 0.007639 -3.242574 Rho 0.2301798E+00 |GRAD(Rho)| 0.3231351E-13 GRAD(Rho)x -0.2482666E-13 GRAD(Rho)y 0.2065257E-13 GRAD(Rho)z -0.1127462E-14 Laplacian 0.8405828E+00 (-1/4)Del**2(Rho)) -0.2101457E+00 Diamond 0.2829204E+01 Metallicity 0.7087253E+01 Ellipticity 0.1991289E-02 Gb(Abramov) 0.3883231E+00 Vb(Abramov) -0.5665005E+00 Hb(Abramov) -0.1781774E+00 Ex_ueg -0.1041857E+00 Ec_ueg -0.1376291E-01 Delta_ex -0.1004716E+00 Delta_ec 0.1881920E-01 Delta_et -0.2603353E+00 Pxc 0.7570031E+01 Qxc -0.5338781E+01 3,-1 115 3 -1 1.883098 -0.602423 -2.844303 Rho 0.1463238E+00 |GRAD(Rho)| 0.7713228E-16 GRAD(Rho)x -0.1971893E-16 GRAD(Rho)y 0.3110305E-16 GRAD(Rho)z -0.6777280E-16 Laplacian 0.5561504E+00 (-1/4)Del**2(Rho)) -0.1390376E+00 Diamond 0.1108081E+01 Metallicity 0.5034378E+01 Ellipticity 0.1185434E+00 Gb(Abramov) 0.2093530E+00 Vb(Abramov) -0.2796685E+00 Hb(Abramov) -0.7031544E-01 Ex_ueg -0.5694711E-01 Ec_ueg -0.8208601E-02 Delta_ex -0.5950827E-01 Delta_ec 0.1445762E-01 Delta_et -0.1923642E+00 Pxc 0.6937493E+01 Qxc -0.4116050E+01 3,-1 116 3 +1 0.276554 -1.609669 -1.578067 Rho 0.5466016E-02 |GRAD(Rho)| 0.1748088E-12 GRAD(Rho)x -0.8450579E-13 GRAD(Rho)y 0.1093604E-12 GRAD(Rho)z 0.1070382E-12 Laplacian 0.2082394E-01 (-1/4)Del**2(Rho)) -0.5205986E-02 Diamond 0.4359900E-03 Metallicity 0.5612655E+00 Ellipticity -0.1876792E+01 Gb(Abramov) 0.3957647E-02 Vb(Abramov) -0.2709309E-02 Hb(Abramov) 0.1248339E-02 Ex_ueg -0.7111255E-03 Ec_ueg -0.1670222E-03 Delta_ex -0.9615307E-03 Delta_ec 0.4916673E-03 Delta_et -0.2808132E-02 Pxc 0.4257671E+01 Qxc -0.1955653E+01 3,+1 117 3 -1 -3.280776 3.085481 -0.001866 Rho 0.2284082E+00 |GRAD(Rho)| 0.1702753E-14 GRAD(Rho)x -0.1216150E-14 GRAD(Rho)y 0.1144375E-14 GRAD(Rho)z -0.3327959E-15 Laplacian 0.8455505E+00 (-1/4)Del**2(Rho)) -0.2113876E+00 Diamond 0.2810358E+01 Metallicity 0.6955471E+01 Ellipticity 0.4118860E-02 Gb(Abramov) 0.3859751E+00 Vb(Abramov) -0.5605627E+00 Hb(Abramov) -0.1745875E+00 Ex_ueg -0.1031179E+00 Ec_ueg -0.1364149E-01 Delta_ex -0.1008102E+00 Delta_ec 0.1887916E-01 Delta_et -0.2606828E+00 Pxc 0.7559138E+01 Qxc -0.5339762E+01 3,-1 118 3 +3 -1.924214 -1.892831 -1.832426 Rho 0.1194595E-01 |GRAD(Rho)| 0.1191968E-15 GRAD(Rho)x 0.2018696E-17 GRAD(Rho)y 0.7790475E-16 GRAD(Rho)z 0.9019230E-16 Laplacian 0.5188577E-01 (-1/4)Del**2(Rho)) -0.1297144E-01 Diamond 0.1084866E-02 Metallicity 0.8290853E+00 Ellipticity -0.5830786E+00 Gb(Abramov) 0.1044003E-01 Vb(Abramov) -0.7908624E-02 Hb(Abramov) 0.2531408E-02 Ex_ueg -0.2016876E-02 Ec_ueg -0.4570743E-03 Delta_ex -0.2262073E-02 Delta_ec 0.1640873E-03 Delta_et -0.1621414E-02 Pxc 0.4412578E+01 Qxc -0.1378579E+02 3,+3 119 3 -1 -3.006824 -0.825618 -2.002183 Rho 0.8621880E-01 |GRAD(Rho)| 0.3735963E-13 GRAD(Rho)x 0.1731417E-13 GRAD(Rho)y 0.2467789E-13 GRAD(Rho)z -0.2206724E-13 Laplacian 0.3303319E+00 (-1/4)Del**2(Rho)) -0.8258297E-01 Diamond 0.3432451E+00 Metallicity 0.3510206E+01 Ellipticity 0.3236621E-02 Gb(Abramov) 0.1033692E+00 Vb(Abramov) -0.1241554E+00 Hb(Abramov) -0.2078622E-01 Ex_ueg -0.2813116E-01 Ec_ueg -0.4498096E-02 Delta_ex -0.3110540E-01 Delta_ec 0.9502618E-02 Delta_et -0.1144606E+00 Pxc 0.6254015E+01 Qxc -0.3273351E+01 3,-1 120 3 -1 -0.243911 -1.445900 -3.232583 Rho 0.5728119E-02 |GRAD(Rho)| 0.5450640E-16 GRAD(Rho)x 0.4438453E-16 GRAD(Rho)y 0.8097635E-17 GRAD(Rho)z 0.3058414E-16 Laplacian 0.2236656E-01 (-1/4)Del**2(Rho)) -0.5591640E-02 Diamond 0.9031971E-03 Metallicity 0.5649814E+00 Ellipticity 0.5211472E-01 Gb(Abramov) 0.4254288E-02 Vb(Abramov) -0.2916937E-02 Hb(Abramov) 0.1337351E-02 Ex_ueg -0.7569511E-03 Ec_ueg -0.1783801E-03 Delta_ex -0.1356449E-02 Delta_ec 0.1087356E-02 Delta_et -0.5998815E-02 Pxc 0.4243473E+01 Qxc -0.1247474E+01 3,-1 121 3 +3 -2.429549 0.094067 0.143105 Rho 0.4931608E-02 |GRAD(Rho)| 0.5180686E-14 GRAD(Rho)x 0.4708757E-15 GRAD(Rho)y -0.5159234E-14 GRAD(Rho)z -0.9739797E-17 Laplacian 0.2070629E-01 (-1/4)Del**2(Rho)) -0.5176573E-02 Diamond 0.2173975E-03 Metallicity 0.4755087E+00 Ellipticity -0.2658967E+00 Gb(Abramov) 0.3861299E-02 Vb(Abramov) -0.2546026E-02 Hb(Abramov) 0.1315273E-02 Ex_ueg -0.6199687E-03 Ec_ueg -0.1439708E-03 Delta_ex -0.7840655E-03 Delta_ec 0.2187032E-03 Delta_et -0.1358293E-02 Pxc 0.4306212E+01 Qxc -0.3585067E+01 3,+3 122 3 +1 -1.249792 2.170377 1.226314 Rho 0.2825155E-01 |GRAD(Rho)| 0.3259809E-14 GRAD(Rho)x -0.9580842E-15 GRAD(Rho)y -0.7837925E-15 GRAD(Rho)z 0.3015643E-14 Laplacian 0.1126451E+00 (-1/4)Del**2(Rho)) -0.2816126E-01 Diamond 0.1826817E-01 Metallicity 0.1603140E+01 Ellipticity -0.6617194E+01 Gb(Abramov) 0.2629859E-01 Vb(Abramov) -0.2443591E-01 Hb(Abramov) 0.1862678E-02 Ex_ueg -0.6354892E-02 Ec_ueg -0.1253778E-02 Delta_ex -0.7316296E-02 Delta_ec 0.2048762E-02 Delta_et -0.1860898E-01 Pxc 0.5068594E+01 Qxc -0.3571082E+01 3,+1 123 3 +1 -1.742336 -0.457582 0.600454 Rho 0.9171295E-02 |GRAD(Rho)| 0.1242279E-16 GRAD(Rho)x 0.3409433E-17 GRAD(Rho)y 0.1194018E-16 GRAD(Rho)z 0.3653094E-18 Laplacian 0.3696105E-01 (-1/4)Del**2(Rho)) -0.9240264E-02 Diamond 0.1056442E-02 Metallicity 0.7491807E+00 Ellipticity -0.1412990E+01 Gb(Abramov) 0.7313947E-02 Vb(Abramov) -0.5387630E-02 Hb(Abramov) 0.1926317E-02 Ex_ueg -0.1417836E-02 Ec_ueg -0.3306133E-03 Delta_ex -0.1706670E-02 Delta_ec 0.5028672E-03 Delta_et -0.3507976E-02 Pxc 0.4288502E+01 Qxc -0.3393878E+01 3,+1 124 3 +1 -0.504758 -0.553713 1.712925 Rho 0.8303408E-02 |GRAD(Rho)| 0.3090020E-16 GRAD(Rho)x 0.4955305E-17 GRAD(Rho)y 0.8037293E-17 GRAD(Rho)z 0.2942226E-16 Laplacian 0.3274232E-01 (-1/4)Del**2(Rho)) -0.8185580E-02 Diamond 0.8256994E-03 Metallicity 0.7165794E+00 Ellipticity -0.1408437E+01 Gb(Abramov) 0.6434656E-02 Vb(Abramov) -0.4683733E-02 Hb(Abramov) 0.1750924E-02 Ex_ueg -0.1241824E-02 Ec_ueg -0.2917294E-03 Delta_ex -0.1478049E-02 Delta_ec 0.4526343E-03 Delta_et -0.3072564E-02 Pxc 0.4256769E+01 Qxc -0.3265436E+01 3,+1 125 3 -1 -1.877898 2.713207 -0.514078 Rho 0.8901348E-01 |GRAD(Rho)| 0.2535725E-15 GRAD(Rho)x 0.2217939E-15 GRAD(Rho)y 0.4203232E-16 GRAD(Rho)z -0.1154980E-15 Laplacian 0.3707653E+00 (-1/4)Del**2(Rho)) -0.9269132E-01 Diamond 0.4021011E+00 Metallicity 0.3298175E+01 Ellipticity 0.5118172E-02 Gb(Abramov) 0.1127462E+00 Vb(Abramov) -0.1328012E+00 Hb(Abramov) -0.2005493E-01 Ex_ueg -0.2935347E-01 Ec_ueg -0.4664481E-02 Delta_ex -0.3520219E-01 Delta_ec 0.1065407E-01 Delta_et -0.1292685E+00 Pxc 0.6292976E+01 Qxc -0.3304107E+01 3,-1 126 3 -1 -2.065708 2.943998 0.863220 Rho 0.1471390E+00 |GRAD(Rho)| 0.1080293E-15 GRAD(Rho)x 0.7907900E-16 GRAD(Rho)y 0.5324788E-16 GRAD(Rho)z 0.5080842E-16 Laplacian 0.5634782E+00 (-1/4)Del**2(Rho)) -0.1408695E+00 Diamond 0.1113914E+01 Metallicity 0.5015135E+01 Ellipticity 0.5625041E-01 Gb(Abramov) 0.2116597E+00 Vb(Abramov) -0.2824498E+00 Hb(Abramov) -0.7079012E-01 Ex_ueg -0.5737055E-01 Ec_ueg -0.8260624E-02 Delta_ex -0.6020777E-01 Delta_ec 0.1433106E-01 Delta_et -0.1901819E+00 Pxc 0.6945062E+01 Qxc -0.4201209E+01 3,-1 127 3 +1 -0.273911 2.946152 0.180320 Rho 0.5627826E-02 |GRAD(Rho)| 0.1476600E-16 GRAD(Rho)x 0.1303804E-16 GRAD(Rho)y -0.1941669E-17 GRAD(Rho)z 0.6653893E-17 Laplacian 0.2377677E-01 (-1/4)Del**2(Rho)) -0.5944193E-02 Diamond 0.5401691E-03 Metallicity 0.5160535E+00 Ellipticity -0.1731365E+01 Gb(Abramov) 0.4474049E-02 Vb(Abramov) -0.3003905E-02 Hb(Abramov) 0.1470144E-02 Ex_ueg -0.7393316E-03 Ec_ueg -0.1740300E-03 Delta_ex -0.1122525E-02 Delta_ec 0.5930826E-03 Delta_et -0.3399250E-02 Pxc 0.4248301E+01 Qxc -0.1892695E+01 3,+1 128 3 +1 -0.314659 -1.240407 -2.524557 Rho 0.4148070E-02 |GRAD(Rho)| 0.3417556E-17 GRAD(Rho)x 0.3230584E-17 GRAD(Rho)y -0.1062179E-17 GRAD(Rho)z -0.3388132E-18 Laplacian 0.1661632E-01 (-1/4)Del**2(Rho)) -0.4154080E-02 Diamond 0.1988580E-03 Metallicity 0.4441079E+00 Ellipticity -0.1299145E+01 Gb(Abramov) 0.3076863E-02 Vb(Abramov) -0.1999646E-02 Hb(Abramov) 0.1077217E-02 Ex_ueg -0.4922433E-03 Ec_ueg -0.1104370E-03 Delta_ex -0.6750588E-03 Delta_ec 0.3049595E-03 Delta_et -0.1655359E-02 Pxc 0.4457230E+01 Qxc -0.2213601E+01 3,+1 129 3 +1 1.978340 -1.993918 1.995802 Rho 0.1184832E-01 |GRAD(Rho)| 0.3557618E-12 GRAD(Rho)x -0.1120418E-12 GRAD(Rho)y -0.3165905E-12 GRAD(Rho)z -0.1174035E-12 Laplacian 0.5154191E-01 (-1/4)Del**2(Rho)) -0.1288548E-01 Diamond 0.1453950E-02 Metallicity 0.8232800E+00 Ellipticity -0.1035393E+01 Gb(Abramov) 0.1035838E-01 Vb(Abramov) -0.7831278E-02 Hb(Abramov) 0.2527100E-02 Ex_ueg -0.1994930E-02 Ec_ueg -0.4525717E-03 Delta_ex -0.2355841E-02 Delta_ec 0.3669412E-03 Delta_et -0.2976591E-02 Pxc 0.4407987E+01 Qxc -0.6420213E+01 3,+1 130 3 -1 0.057195 -2.002900 -1.031157 Rho 0.6768559E-02 |GRAD(Rho)| 0.6732853E-14 GRAD(Rho)x 0.6190252E-14 GRAD(Rho)y -0.2599446E-14 GRAD(Rho)z 0.5049401E-15 Laplacian 0.2538105E-01 (-1/4)Del**2(Rho)) -0.6345263E-02 Diamond 0.9553997E-03 Metallicity 0.6575526E+00 Ellipticity 0.1430039E+01 Gb(Abramov) 0.4925566E-02 Vb(Abramov) -0.3505869E-02 Hb(Abramov) 0.1419697E-02 Ex_ueg -0.9456128E-03 Ec_ueg -0.2237974E-03 Delta_ex -0.1380396E-02 Delta_ec 0.8719957E-03 Delta_et -0.5157023E-02 Pxc 0.4225307E+01 Qxc -0.1583031E+01 3,-1 131 3 +1 0.324492 -1.789563 -0.730662 Rho 0.6415053E-02 |GRAD(Rho)| 0.2699969E-14 GRAD(Rho)x 0.6364944E-15 GRAD(Rho)y 0.1417625E-14 GRAD(Rho)z 0.2207951E-14 Laplacian 0.2440709E-01 (-1/4)Del**2(Rho)) -0.6101773E-02 Diamond 0.6019649E-03 Metallicity 0.6253132E+00 Ellipticity -0.1893142E+01 Gb(Abramov) 0.4703768E-02 Vb(Abramov) -0.3305764E-02 Hb(Abramov) 0.1398004E-02 Ex_ueg -0.8803433E-03 Ec_ueg -0.2083075E-03 Delta_ex -0.1145249E-02 Delta_ec 0.5379360E-03 Delta_et -0.3237774E-02 Pxc 0.4226172E+01 Qxc -0.2128969E+01 3,+1 132 3 -1 0.812485 -2.032544 2.970603 Rho 0.1023640E+00 |GRAD(Rho)| 0.1685976E-15 GRAD(Rho)x -0.1372939E-15 GRAD(Rho)y -0.9235031E-16 GRAD(Rho)z 0.3235666E-16 Laplacian 0.3985283E+00 (-1/4)Del**2(Rho)) -0.9963207E-01 Diamond 0.5093323E+00 Metallicity 0.3873165E+01 Ellipticity 0.1810481E-01 Gb(Abramov) 0.1307366E+00 Vb(Abramov) -0.1618412E+00 Hb(Abramov) -0.3110455E-01 Ex_ueg -0.3536562E-01 Ec_ueg -0.5468475E-02 Delta_ex -0.3904168E-01 Delta_ec 0.1104103E-01 Delta_et -0.1377665E+00 Pxc 0.6467182E+01 Qxc -0.3536054E+01 3,-1 133 3 -1 0.509412 -1.787085 1.646303 Rho 0.4820912E-01 |GRAD(Rho)| 0.3309068E-15 GRAD(Rho)x -0.2864814E-16 GRAD(Rho)y -0.2821556E-15 GRAD(Rho)z 0.1704899E-15 Laplacian 0.1864229E+00 (-1/4)Del**2(Rho)) -0.4660571E-01 Diamond 0.8960832E-01 Metallicity 0.2360456E+01 Ellipticity 0.6963431E-02 Gb(Abramov) 0.4940560E-01 Vb(Abramov) -0.5220549E-01 Hb(Abramov) -0.2799888E-02 Ex_ueg -0.1295858E-01 Ec_ueg -0.2316122E-02 Delta_ex -0.1519022E-01 Delta_ec 0.5530093E-02 Delta_et -0.5775280E-01 Pxc 0.5594945E+01 Qxc -0.2746830E+01 3,-1 134 3 -1 0.887415 -3.046280 1.966290 Rho 0.1610169E+00 |GRAD(Rho)| 0.1722918E-11 GRAD(Rho)x 0.1350915E-11 GRAD(Rho)y -0.7009462E-12 GRAD(Rho)z -0.8075574E-12 Laplacian 0.6149840E+00 (-1/4)Del**2(Rho)) -0.1537460E+00 Diamond 0.1355208E+01 Metallicity 0.5339925E+01 Ellipticity 0.7073551E-01 Gb(Abramov) 0.2393293E+00 Vb(Abramov) -0.3249127E+00 Hb(Abramov) -0.8558335E-01 Ex_ueg -0.6469644E-01 Ec_ueg -0.9152444E-02 Delta_ex -0.6719347E-01 Delta_ec 0.1529947E-01 Delta_et -0.2055195E+00 Pxc 0.7068760E+01 Qxc -0.4391883E+01 3,-1 135 3 -1 1.775712 -2.835214 -0.639377 Rho 0.1995398E+00 |GRAD(Rho)| 0.2532980E-15 GRAD(Rho)x 0.2284956E-15 GRAD(Rho)y 0.5416945E-16 GRAD(Rho)z -0.9494901E-16 Laplacian 0.7647529E+00 (-1/4)Del**2(Rho)) -0.1911882E+00 Diamond 0.2157205E+01 Metallicity 0.6139617E+01 Ellipticity 0.4111430E-02 Gb(Abramov) 0.3230959E+00 Vb(Abramov) -0.4550036E+00 Hb(Abramov) -0.1319077E+00 Ex_ueg -0.8611744E-01 Ec_ueg -0.1168723E-01 Delta_ex -0.8803275E-01 Delta_ec 0.1769747E-01 Delta_et -0.2421777E+00 Pxc 0.7368511E+01 Qxc -0.4974313E+01 3,-1 136 3 -1 1.143953 -2.318825 -1.974479 Rho 0.4488905E-01 |GRAD(Rho)| 0.9645070E-14 GRAD(Rho)x 0.2993635E-14 GRAD(Rho)y -0.6649631E-14 GRAD(Rho)z 0.6312522E-14 Laplacian 0.1242220E+00 (-1/4)Del**2(Rho)) -0.3105550E-01 Diamond 0.8362052E-01 Metallicity 0.3145203E+01 Ellipticity 0.1833094E-01 Gb(Abramov) 0.3698298E-01 Vb(Abramov) -0.4291045E-01 Hb(Abramov) -0.5927476E-02 Ex_ueg -0.1178254E-01 Ec_ueg -0.2134370E-02 Delta_ex -0.1140708E-01 Delta_ec 0.6301798E-02 Delta_et -0.6510391E-01 Pxc 0.5520383E+01 Qxc -0.1810131E+01 3,-1 137 3 +1 1.853301 -1.782039 -1.729848 Rho 0.1415875E-01 |GRAD(Rho)| 0.1210782E-16 GRAD(Rho)x 0.6114267E-17 GRAD(Rho)y 0.1024086E-16 GRAD(Rho)z -0.2083235E-17 Laplacian 0.6493481E-01 (-1/4)Del**2(Rho)) -0.1623370E-01 Diamond 0.3362926E-02 Metallicity 0.8793808E+00 Ellipticity -0.1446797E+01 Gb(Abramov) 0.1320174E-01 Vb(Abramov) -0.1016977E-01 Hb(Abramov) 0.3031966E-02 Ex_ueg -0.2529792E-02 Ec_ueg -0.5601194E-03 Delta_ex -0.3357701E-02 Delta_ec 0.8831715E-03 Delta_et -0.6865438E-02 Pxc 0.4516523E+01 Qxc -0.3801868E+01 3,+1 138 3 -1 1.984068 -2.985178 0.804645 Rho 0.1021507E+00 |GRAD(Rho)| 0.3108689E-13 GRAD(Rho)x 0.2517840E-13 GRAD(Rho)y -0.7569954E-14 GRAD(Rho)z -0.1658732E-13 Laplacian 0.3965255E+00 (-1/4)Del**2(Rho)) -0.9913138E-01 Diamond 0.5099989E+00 Metallicity 0.3879219E+01 Ellipticity 0.2210373E-01 Gb(Abramov) 0.1301796E+00 Vb(Abramov) -0.1612279E+00 Hb(Abramov) -0.3104826E-01 Ex_ueg -0.3526741E-01 Ec_ueg -0.5455517E-02 Delta_ex -0.3890136E-01 Delta_ec 0.1112419E-01 Delta_et -0.1389170E+00 Pxc 0.6464540E+01 Qxc -0.3497005E+01 3,-1 139 3 +3 1.958917 -1.975155 1.973406 Rho 0.1184781E-01 |GRAD(Rho)| 0.1381809E-16 GRAD(Rho)x 0.7455350E-17 GRAD(Rho)y 0.9762344E-17 GRAD(Rho)z 0.6328814E-17 Laplacian 0.5135764E-01 (-1/4)Del**2(Rho)) -0.1283941E-01 Diamond 0.1368382E-02 Metallicity 0.8261740E+00 Ellipticity -0.9615089E+00 Gb(Abramov) 0.1032754E-01 Vb(Abramov) -0.7815665E-02 Hb(Abramov) 0.2511872E-02 Ex_ueg -0.1994814E-02 Ec_ueg -0.4525479E-03 Delta_ex -0.2323791E-02 Delta_ec 0.3234968E-03 Delta_et -0.2683583E-02 Pxc 0.4407963E+01 Qxc -0.7183350E+01 3,+3 140 3 -1 2.747280 -1.770244 -0.621226 Rho 0.1555967E+00 |GRAD(Rho)| 0.1774717E-14 GRAD(Rho)x 0.5167308E-15 GRAD(Rho)y 0.1108786E-14 GRAD(Rho)z -0.1285769E-14 Laplacian 0.6355895E+00 (-1/4)Del**2(Rho)) -0.1588974E+00 Diamond 0.1331411E+01 Metallicity 0.4880195E+01 Ellipticity 0.2149568E-01 Gb(Abramov) 0.2351733E+00 Vb(Abramov) -0.3114492E+00 Hb(Abramov) -0.7627590E-01 Ex_ueg -0.6180908E-01 Ec_ueg -0.8802742E-02 Delta_ex -0.6873725E-01 Delta_ec 0.1573315E-01 Delta_et -0.2098855E+00 Pxc 0.7021572E+01 Qxc -0.4368945E+01 3,-1 141 3 -1 2.773836 -0.510321 -1.837613 Rho 0.1064440E+00 |GRAD(Rho)| 0.1434001E-13 GRAD(Rho)x -0.2195365E-14 GRAD(Rho)y 0.8016222E-14 GRAD(Rho)z -0.1168574E-13 Laplacian 0.4304013E+00 (-1/4)Del**2(Rho)) -0.1076003E+00 Diamond 0.5764605E+00 Metallicity 0.3827736E+01 Ellipticity 0.1822017E-01 Gb(Abramov) 0.1403778E+00 Vb(Abramov) -0.1731553E+00 Hb(Abramov) -0.3277749E-01 Ex_ueg -0.3725749E-01 Ec_ueg -0.5717036E-02 Delta_ex -0.4254971E-01 Delta_ec 0.1181633E-01 Delta_et -0.1485509E+00 Pxc 0.6516924E+01 Qxc -0.3600926E+01 3,-1 142 3 +1 -1.723405 0.596425 -0.413329 Rho 0.9792555E-02 |GRAD(Rho)| 0.5864592E-16 GRAD(Rho)x -0.1317396E-16 GRAD(Rho)y -0.7191442E-18 GRAD(Rho)z -0.5714258E-16 Laplacian 0.3972950E-01 (-1/4)Del**2(Rho)) -0.9932375E-02 Diamond 0.1221336E-02 Metallicity 0.7774278E+00 Ellipticity -0.1413693E+01 Gb(Abramov) 0.7908534E-02 Vb(Abramov) -0.5884693E-02 Hb(Abramov) 0.2023841E-02 Ex_ueg -0.1547319E-02 Ec_ueg -0.3586493E-03 Delta_ex -0.1857852E-02 Delta_ec 0.5266265E-03 Delta_et -0.3746340E-02 Pxc 0.4314294E+01 Qxc -0.3527836E+01 3,+1 143 3 -1 -1.768924 1.668412 0.596972 Rho 0.4678924E-01 |GRAD(Rho)| 0.7828191E-12 GRAD(Rho)x -0.6183870E-12 GRAD(Rho)y 0.1764305E-12 GRAD(Rho)z -0.4464028E-12 Laplacian 0.1828322E+00 (-1/4)Del**2(Rho)) -0.4570806E-01 Diamond 0.8423996E-01 Metallicity 0.2289832E+01 Ellipticity 0.1804557E-01 Gb(Abramov) 0.4791600E-01 Vb(Abramov) -0.5012395E-01 Hb(Abramov) -0.2207944E-02 Ex_ueg -0.1245221E-01 Ec_ueg -0.2238179E-02 Delta_ex -0.1477955E-01 Delta_ec 0.5412825E-02 Delta_et -0.5608291E-01 Pxc 0.5563545E+01 Qxc -0.2730469E+01 3,-1 144 3 -1 -2.980533 0.823309 2.075184 Rho 0.9995230E-01 |GRAD(Rho)| 0.9172044E-14 GRAD(Rho)x 0.3784940E-14 GRAD(Rho)y -0.5762172E-14 GRAD(Rho)z 0.6049628E-14 Laplacian 0.3909908E+00 (-1/4)Del**2(Rho)) -0.9774771E-01 Diamond 0.4845399E+00 Metallicity 0.3794034E+01 Ellipticity 0.2103389E-01 Gb(Abramov) 0.1269748E+00 Vb(Abramov) -0.1562019E+00 Hb(Abramov) -0.2922712E-01 Ex_ueg -0.3425906E-01 Ec_ueg -0.5322163E-02 Delta_ex -0.3807381E-01 Delta_ec 0.1085915E-01 Delta_et -0.1348253E+00 Pxc 0.6437056E+01 Qxc -0.3506149E+01 3,-1 145 3 -1 -2.710308 0.545755 -1.818934 Rho 0.1252255E+00 |GRAD(Rho)| 0.6064601E-14 GRAD(Rho)x 0.1296658E-14 GRAD(Rho)y -0.2636529E-14 GRAD(Rho)z -0.5305354E-14 Laplacian 0.5154158E+00 (-1/4)Del**2(Rho)) -0.1288540E+00 Diamond 0.8404698E+00 Metallicity 0.4190604E+01 Ellipticity 0.7501592E-02 Gb(Abramov) 0.1758986E+00 Vb(Abramov) -0.2229433E+00 Hb(Abramov) -0.4704467E-01 Ex_ueg -0.4627098E-01 Ec_ueg -0.6877005E-02 Delta_ex -0.5297201E-01 Delta_ec 0.1365342E-01 Delta_et -0.1767592E+00 Pxc 0.6728362E+01 Qxc -0.3879762E+01 3,-1 146 3 -1 -0.851648 2.028429 2.954719 Rho 0.1119540E+00 |GRAD(Rho)| 0.1392568E-12 GRAD(Rho)x -0.1037725E-12 GRAD(Rho)y -0.6585157E-13 GRAD(Rho)z 0.6547747E-13 Laplacian 0.4350548E+00 (-1/4)Del**2(Rho)) -0.1087637E+00 Diamond 0.6212608E+00 Metallicity 0.4119098E+01 Ellipticity 0.3662361E-01 Gb(Abramov) 0.1471772E+00 Vb(Abramov) -0.1855907E+00 Hb(Abramov) -0.3841348E-01 Ex_ueg -0.3985089E-01 Ec_ueg -0.6054707E-02 Delta_ex -0.4355455E-01 Delta_ec 0.1186200E-01 Delta_et -0.1506185E+00 Pxc 0.6581803E+01 Qxc -0.3671770E+01 3,-1 147 3 -1 -1.859704 -1.607456 -0.521951 Rho 0.5616996E-01 |GRAD(Rho)| 0.4620414E-14 GRAD(Rho)x -0.3424332E-14 GRAD(Rho)y -0.2749390E-14 GRAD(Rho)z 0.1436326E-14 Laplacian 0.2210966E+00 (-1/4)Del**2(Rho)) -0.5527416E-01 Diamond 0.1306560E+00 Metallicity 0.2567663E+01 Ellipticity 0.1259843E-01 Gb(Abramov) 0.6050367E-01 Vb(Abramov) -0.6573318E-01 Hb(Abramov) -0.5229512E-02 Ex_ueg -0.1588756E-01 Ec_ueg -0.2758662E-02 Delta_ex -0.1871907E-01 Delta_ec 0.6540294E-02 Delta_et -0.7105680E-01 Pxc 0.5759155E+01 Qxc -0.2862114E+01 3,-1 148 3 -1 -1.731081 -0.485590 -1.710521 Rho 0.6252655E-01 |GRAD(Rho)| 0.1761109E-15 GRAD(Rho)x 0.3661469E-16 GRAD(Rho)y -0.4723479E-16 GRAD(Rho)z 0.1656602E-15 Laplacian 0.2452966E+00 (-1/4)Del**2(Rho)) -0.6132416E-01 Diamond 0.1671694E+00 Metallicity 0.2767127E+01 Ellipticity 0.2513340E-01 Gb(Abramov) 0.6916473E-01 Vb(Abramov) -0.7700530E-01 Hb(Abramov) -0.7840567E-02 Ex_ueg -0.1832896E-01 Ec_ueg -0.3118176E-02 Delta_ex -0.2132690E-01 Delta_ec 0.7219558E-02 Delta_et -0.8057882E-01 Pxc 0.5878101E+01 Qxc -0.2954046E+01 3,-1 149 3 -1 -1.741451 -0.564810 2.861959 Rho 0.1654198E+00 |GRAD(Rho)| 0.9897270E-16 GRAD(Rho)x 0.3797418E-16 GRAD(Rho)y -0.2794531E-16 GRAD(Rho)z -0.8702078E-16 Laplacian 0.6833080E+00 (-1/4)Del**2(Rho)) -0.1708270E+00 Diamond 0.1534138E+01 Metallicity 0.5027003E+01 Ellipticity 0.3712812E-01 Gb(Abramov) 0.2570093E+00 Vb(Abramov) -0.3431916E+00 Hb(Abramov) -0.8618231E-01 Ex_ueg -0.6706590E-01 Ec_ueg -0.9437803E-02 Delta_ex -0.7497557E-01 Delta_ec 0.1655147E-01 Delta_et -0.2221997E+00 Pxc 0.7106092E+01 Qxc -0.4529843E+01 3,-1 150 3 -1 -0.504070 1.709151 1.698103 Rho 0.5555458E-01 |GRAD(Rho)| 0.1130192E-15 GRAD(Rho)x -0.4876686E-16 GRAD(Rho)y -0.8589211E-16 GRAD(Rho)z -0.5493347E-16 Laplacian 0.2158488E+00 (-1/4)Del**2(Rho)) -0.5396221E-01 Diamond 0.1259594E+00 Metallicity 0.2582240E+01 Ellipticity 0.1566494E-01 Gb(Abramov) 0.5919870E-01 Vb(Abramov) -0.6443519E-01 Hb(Abramov) -0.5236490E-02 Ex_ueg -0.1565591E-01 Ec_ueg -0.2724135E-02 Delta_ex -0.1823494E-01 Delta_ec 0.6405715E-02 Delta_et -0.6940652E-01 Pxc 0.5747110E+01 Qxc -0.2846668E+01 3,-1 151 3 -1 -0.857571 2.977309 1.914807 Rho 0.1113326E+00 |GRAD(Rho)| 0.7855683E-16 GRAD(Rho)x 0.7601612E-16 GRAD(Rho)y -0.1589034E-16 GRAD(Rho)z 0.1184152E-16 Laplacian 0.4325875E+00 (-1/4)Del**2(Rho)) -0.1081469E+00 Diamond 0.6116886E+00 Metallicity 0.4104339E+01 Ellipticity 0.3679824E-01 Gb(Abramov) 0.1460765E+00 Vb(Abramov) -0.1840061E+00 Hb(Abramov) -0.3792961E-01 Ex_ueg -0.3955623E-01 Ec_ueg -0.6016512E-02 Delta_ex -0.4322215E-01 Delta_ec 0.1175881E-01 Delta_et -0.1490805E+00 Pxc 0.6574612E+01 Qxc -0.3675726E+01 3,-1 152 3 -1 0.348212 -0.423452 0.368218 Rho 0.1354563E+00 |GRAD(Rho)| 0.1017632E-15 GRAD(Rho)x -0.2601138E-16 GRAD(Rho)y -0.8092130E-16 GRAD(Rho)z 0.5595446E-16 Laplacian 0.6982990E+00 (-1/4)Del**2(Rho)) -0.1745747E+00 Diamond 0.1504291E+01 Metallicity 0.3525631E+01 Ellipticity 0.3280032E-02 Gb(Abramov) 0.2189642E+00 Vb(Abramov) -0.2633536E+00 Hb(Abramov) -0.4438944E-01 Ex_ueg -0.5137878E-01 Ec_ueg -0.7519110E-02 Delta_ex -0.7602650E-01 Delta_ec 0.2330730E-01 Delta_et -0.3158284E+00 Pxc 0.6833094E+01 Qxc -0.3261918E+01 3,-1 153 3 -1 1.814537 2.738684 0.520176 Rho 0.1240649E+00 |GRAD(Rho)| 0.2080454E-15 GRAD(Rho)x 0.1141123E-15 GRAD(Rho)y -0.2917520E-16 GRAD(Rho)z -0.1714937E-15 Laplacian 0.5094941E+00 (-1/4)Del**2(Rho)) -0.1273735E+00 Diamond 0.8193679E+00 Metallicity 0.4174031E+01 Ellipticity 0.3519971E-02 Gb(Abramov) 0.1735259E+00 Vb(Abramov) -0.2196782E+00 Hb(Abramov) -0.4615233E-01 Ex_ueg -0.4570009E-01 Ec_ueg -0.6804607E-02 Delta_ex -0.5221843E-01 Delta_ec 0.1347588E-01 Delta_et -0.1740998E+00 Pxc 0.6716051E+01 Qxc -0.3874956E+01 3,-1 154 3 -1 -2.088399 -2.947148 -0.803122 Rho 0.1186943E+00 |GRAD(Rho)| 0.1058941E-13 GRAD(Rho)x -0.4452866E-14 GRAD(Rho)y -0.9557262E-14 GRAD(Rho)z 0.9829716E-15 Laplacian 0.4210536E+00 (-1/4)Del**2(Rho)) -0.1052634E+00 Diamond 0.6566886E+00 Metallicity 0.4691652E+01 Ellipticity 0.1001146E+00 Gb(Abramov) 0.1524855E+00 Vb(Abramov) -0.1997076E+00 Hb(Abramov) -0.4722208E-01 Ex_ueg -0.4308160E-01 Ec_ueg -0.6470790E-02 Delta_ex -0.4289915E-01 Delta_ec 0.1160862E-01 Delta_et -0.1494183E+00 Pxc 0.6657857E+01 Qxc -0.3695457E+01 3,-1 155 3 -1 -0.569873 2.789755 -1.752171 Rho 0.1723228E+00 |GRAD(Rho)| 0.9668718E-16 GRAD(Rho)x -0.4865357E-16 GRAD(Rho)y -0.6763389E-16 GRAD(Rho)z -0.4906015E-16 Laplacian 0.7161176E+00 (-1/4)Del**2(Rho)) -0.1790294E+00 Diamond 0.1676354E+01 Metallicity 0.5134916E+01 Ellipticity 0.4176982E-01 Gb(Abramov) 0.2725697E+00 Vb(Abramov) -0.3661101E+00 Hb(Abramov) -0.9354034E-01 Ex_ueg -0.7082316E-01 Ec_ueg -0.9887493E-02 Delta_ex -0.7928267E-01 Delta_ec 0.1697986E-01 Delta_et -0.2284665E+00 Pxc 0.7162904E+01 Qxc -0.4669218E+01 3,-1 156 3 -1 0.347228 0.377652 -0.402979 Rho 0.1356640E+00 |GRAD(Rho)| 0.2845997E-15 GRAD(Rho)x 0.2337298E-15 GRAD(Rho)y 0.1509678E-15 GRAD(Rho)z -0.5980018E-16 Laplacian 0.7001889E+00 (-1/4)Del**2(Rho)) -0.1750472E+00 Diamond 0.1509898E+01 Metallicity 0.3525107E+01 Ellipticity 0.4494235E-02 Gb(Abramov) 0.2195415E+00 Vb(Abramov) -0.2640358E+00 Hb(Abramov) -0.4449430E-01 Ex_ueg -0.5148387E-01 Ec_ueg -0.7532219E-02 Delta_ex -0.7624477E-01 Delta_ec 0.2333731E-01 Delta_et -0.3162939E+00 Pxc 0.6835153E+01 Qxc -0.3267076E+01 3,-1 157 3 -1 1.945568 -0.922303 3.058524 Rho 0.1627433E+00 |GRAD(Rho)| 0.7559370E-16 GRAD(Rho)x -0.7440337E-17 GRAD(Rho)y -0.7138116E-16 GRAD(Rho)z -0.2374403E-16 Laplacian 0.6254648E+00 (-1/4)Del**2(Rho)) -0.1563662E+00 Diamond 0.1396005E+01 Metallicity 0.5344605E+01 Ellipticity 0.6601265E-01 Gb(Abramov) 0.2435300E+00 Vb(Abramov) -0.3306939E+00 Hb(Abramov) -0.8716386E-01 Ex_ueg -0.6562298E-01 Ec_ueg -0.9264199E-02 Delta_ex -0.6851928E-01 Delta_ec 0.1551699E-01 Delta_et -0.2087170E+00 Pxc 0.7083503E+01 Qxc -0.4415759E+01 3,-1 158 3 -1 2.791295 1.754039 0.608523 Rho 0.1651641E+00 |GRAD(Rho)| 0.3359542E-15 GRAD(Rho)x 0.4824700E-17 GRAD(Rho)y -0.2692616E-15 GRAD(Rho)z 0.2008485E-15 Laplacian 0.6980266E+00 (-1/4)Del**2(Rho)) -0.1745066E+00 Diamond 0.1558261E+01 Metallicity 0.4908333E+01 Ellipticity 0.3665499E-01 Gb(Abramov) 0.2590939E+00 Vb(Abramov) -0.3436811E+00 Hb(Abramov) -0.8458725E-01 Ex_ueg -0.6692771E-01 Ec_ueg -0.9421200E-02 Delta_ex -0.7650826E-01 Delta_ec 0.1682070E-01 Delta_et -0.2255192E+00 Pxc 0.7103948E+01 Qxc -0.4548458E+01 3,-1 159 3 -1 3.033264 1.925645 -0.838331 Rho 0.1458167E+00 |GRAD(Rho)| 0.3706875E-15 GRAD(Rho)x 0.2085260E-15 GRAD(Rho)y -0.1522491E-15 GRAD(Rho)z -0.2659819E-15 Laplacian 0.5684114E+00 (-1/4)Del**2(Rho)) -0.1421029E+00 Diamond 0.1111795E+01 Metallicity 0.4897363E+01 Ellipticity 0.6094514E-01 Gb(Abramov) 0.2107234E+00 Vb(Abramov) -0.2793440E+00 Hb(Abramov) -0.6862059E-01 Ex_ueg -0.5668410E-01 Ec_ueg -0.8176260E-02 Delta_ex -0.6060318E-01 Delta_ec 0.1449337E-01 Delta_et -0.1920986E+00 Pxc 0.6932766E+01 Qxc -0.4181440E+01 3,-1 160 3 -1 2.998372 0.852822 -2.027564 Rho 0.1209557E+00 |GRAD(Rho)| 0.1120451E-15 GRAD(Rho)x -0.2583789E-16 GRAD(Rho)y -0.9351244E-17 GRAD(Rho)z -0.1086235E-15 Laplacian 0.4748337E+00 (-1/4)Del**2(Rho)) -0.1187084E+00 Diamond 0.7449478E+00 Metallicity 0.4293208E+01 Ellipticity 0.2572412E-01 Gb(Abramov) 0.1640790E+00 Vb(Abramov) -0.2094495E+00 Hb(Abramov) -0.4537052E-01 Ex_ueg -0.4417942E-01 Ec_ueg -0.6611102E-02 Delta_ex -0.4842794E-01 Delta_ec 0.1273553E-01 Delta_et -0.1639944E+00 Pxc 0.6682610E+01 Qxc -0.3802584E+01 3,-1 161 3 -1 -0.498160 1.800612 -2.735438 Rho 0.1011148E+00 |GRAD(Rho)| 0.2248498E-13 GRAD(Rho)x -0.4032053E-14 GRAD(Rho)y -0.2049473E-13 GRAD(Rho)z 0.8323615E-14 Laplacian 0.4181011E+00 (-1/4)Del**2(Rho)) -0.1045253E+00 Diamond 0.5297194E+00 Metallicity 0.3617063E+01 Ellipticity 0.8808887E-02 Gb(Abramov) 0.1326959E+00 Vb(Abramov) -0.1608666E+00 Hb(Abramov) -0.2817066E-01 Ex_ueg -0.3479134E-01 Ec_ueg -0.5392630E-02 Delta_ex -0.4089626E-01 Delta_ec 0.1171197E-01 Delta_et -0.1459078E+00 Pxc 0.6451646E+01 Qxc -0.3491834E+01 3,-1 162 3 -1 0.563850 2.785095 1.710948 Rho 0.1449642E+00 |GRAD(Rho)| 0.5149695E-15 GRAD(Rho)x 0.2413163E-15 GRAD(Rho)y -0.1522626E-16 GRAD(Rho)z -0.4546737E-15 Laplacian 0.6025171E+00 (-1/4)Del**2(Rho)) -0.1506293E+00 Diamond 0.1162551E+01 Metallicity 0.4575216E+01 Ellipticity 0.1949007E-01 Gb(Abramov) 0.2152797E+00 Vb(Abramov) -0.2799302E+00 Hb(Abramov) -0.6465047E-01 Ex_ueg -0.5624267E-01 Ec_ueg -0.8121931E-02 Delta_ex -0.6406719E-01 Delta_ec 0.1524221E-01 Delta_et -0.2015390E+00 Pxc 0.6924790E+01 Qxc -0.4203275E+01 3,-1 163 3 -1 0.069883 3.200595 3.080512 Rho 0.2270213E+00 |GRAD(Rho)| 0.1107893E-14 GRAD(Rho)x 0.2569017E-15 GRAD(Rho)y 0.8412325E-15 GRAD(Rho)z 0.6736148E-15 Laplacian 0.8496203E+00 (-1/4)Del**2(Rho)) -0.2124051E+00 Diamond 0.2797971E+01 Metallicity 0.6852238E+01 Ellipticity 0.4152057E-02 Gb(Abramov) 0.3841784E+00 Vb(Abramov) -0.5559518E+00 Hb(Abramov) -0.1717733E+00 Ex_ueg -0.1022839E+00 Ec_ueg -0.1354655E-01 Delta_ex -0.1011050E+00 Delta_ec 0.1894936E-01 Delta_et -0.2613546E+00 Pxc 0.7550549E+01 Qxc -0.5335535E+01 3,-1 164 3 -1 -0.040466 3.202967 -3.095148 Rho 0.2281675E+00 |GRAD(Rho)| 0.6342621E-14 GRAD(Rho)x 0.2072954E-14 GRAD(Rho)y 0.5887651E-14 GRAD(Rho)z -0.1125727E-14 Laplacian 0.8510881E+00 (-1/4)Del**2(Rho)) -0.2127720E+00 Diamond 0.2821062E+01 Metallicity 0.6898081E+01 Ellipticity 0.5760122E-02 Gb(Abramov) 0.3864678E+00 Vb(Abramov) -0.5601635E+00 Hb(Abramov) -0.1736958E+00 Ex_ueg -0.1029730E+00 Ec_ueg -0.1362500E-01 Delta_ex -0.1014192E+00 Delta_ec 0.1896678E-01 Delta_et -0.2617062E+00 Pxc 0.7557651E+01 Qxc -0.5347202E+01 3,-1 165 3 -1 1.729804 1.659774 -0.512884 Rho 0.4493355E-01 |GRAD(Rho)| 0.1766469E-15 GRAD(Rho)x 0.1467480E-15 GRAD(Rho)y 0.9550233E-16 GRAD(Rho)z 0.2341930E-16 Laplacian 0.1710356E+00 (-1/4)Del**2(Rho)) -0.4275889E-01 Diamond 0.7461848E-01 Metallicity 0.2288115E+01 Ellipticity 0.1451870E-01 Gb(Abramov) 0.4481214E-01 Vb(Abramov) -0.4686539E-01 Hb(Abramov) -0.2053248E-02 Ex_ueg -0.1179812E-01 Ec_ueg -0.2136794E-02 Delta_ex -0.1368810E-01 Delta_ec 0.5067971E-02 Delta_et -0.5195221E-01 Pxc 0.5521409E+01 Qxc -0.2700902E+01 3,-1 166 3 -1 2.050621 2.935830 -0.848541 Rho 0.1025474E+00 |GRAD(Rho)| 0.9861081E-14 GRAD(Rho)x -0.5532972E-14 GRAD(Rho)y -0.8066867E-14 GRAD(Rho)z -0.1246111E-14 Laplacian 0.4021779E+00 (-1/4)Del**2(Rho)) -0.1005445E+00 Diamond 0.5155139E+00 Metallicity 0.3849489E+01 Ellipticity 0.2111405E-01 Gb(Abramov) 0.1315371E+00 Vb(Abramov) -0.1625298E+00 Hb(Abramov) -0.3099265E-01 Ex_ueg -0.3545016E-01 Ec_ueg -0.5479624E-02 Delta_ex -0.3942242E-01 Delta_ec 0.1114971E-01 Delta_et -0.1391865E+00 Pxc 0.6469451E+01 Qxc -0.3535737E+01 3,-1 167 3 -1 3.136311 -0.025805 3.258761 Rho 0.2288809E+00 |GRAD(Rho)| 0.2777024E-15 GRAD(Rho)x -0.7903834E-16 GRAD(Rho)y 0.2978845E-16 GRAD(Rho)z 0.2645453E-15 Laplacian 0.8396368E+00 (-1/4)Del**2(Rho)) -0.2099092E+00 Diamond 0.2802925E+01 Metallicity 0.7028632E+01 Ellipticity 0.3718798E-02 Gb(Abramov) 0.3858352E+00 Vb(Abramov) -0.5617612E+00 Hb(Abramov) -0.1759260E+00 Ex_ueg -0.1034025E+00 Ec_ueg -0.1367387E-01 Delta_ex -0.1001889E+00 Delta_ec 0.1878925E-01 Delta_et -0.2596882E+00 Pxc 0.7562053E+01 Qxc -0.5332244E+01 3,-1 168 3 -1 2.755714 0.484339 1.870421 Rho 0.1009293E+00 |GRAD(Rho)| 0.5457187E-13 GRAD(Rho)x 0.4188238E-13 GRAD(Rho)y -0.1253111E-13 GRAD(Rho)z -0.3266385E-13 Laplacian 0.4218631E+00 (-1/4)Del**2(Rho)) -0.1054658E+00 Diamond 0.5349502E+00 Metallicity 0.3573855E+01 Ellipticity 0.1220911E-01 Gb(Abramov) 0.1331304E+00 Vb(Abramov) -0.1607951E+00 Hb(Abramov) -0.2766464E-01 Ex_ueg -0.3470627E-01 Ec_ueg -0.5381379E-02 Delta_ex -0.4127442E-01 Delta_ec 0.1187181E-01 Delta_et -0.1479065E+00 Pxc 0.6449327E+01 Qxc -0.3476674E+01 3,-1 169 3 -1 -2.849670 -1.715658 0.581609 Rho 0.1470049E+00 |GRAD(Rho)| 0.1981668E-13 GRAD(Rho)x -0.2006448E-14 GRAD(Rho)y -0.1309410E-13 GRAD(Rho)z -0.1473837E-13 Laplacian 0.6047389E+00 (-1/4)Del**2(Rho)) -0.1511847E+00 Diamond 0.1185353E+01 Metallicity 0.4665857E+01 Ellipticity 0.2539643E-01 Gb(Abramov) 0.2183575E+00 Vb(Abramov) -0.2855304E+00 Hb(Abramov) -0.6717282E-01 Ex_ueg -0.5730080E-01 Ec_ueg -0.8252059E-02 Delta_ex -0.6451179E-01 Delta_ec 0.1522281E-01 Delta_et -0.2016281E+00 Pxc 0.6943818E+01 Qxc -0.4237837E+01 3,-1 170 3 -1 -2.094046 -0.950559 -3.013364 Rho 0.1419146E+00 |GRAD(Rho)| 0.1551574E-11 GRAD(Rho)x 0.4898559E-12 GRAD(Rho)y -0.1317346E-11 GRAD(Rho)z -0.6572843E-12 Laplacian 0.5243615E+00 (-1/4)Del**2(Rho)) -0.1310904E+00 Diamond 0.1010743E+01 Metallicity 0.5074123E+01 Ellipticity 0.1259166E+00 Gb(Abramov) 0.1982550E+00 Vb(Abramov) -0.2654197E+00 Hb(Abramov) -0.6716466E-01 Ex_ueg -0.5467070E-01 Ec_ueg -0.7927960E-02 Delta_ex -0.5572994E-01 Delta_ec 0.1380401E-01 Delta_et -0.1829739E+00 Pxc 0.6895935E+01 Qxc -0.4037228E+01 3,-1 171 3 -1 -2.733838 -0.541878 1.900171 Rho 0.1200729E+00 |GRAD(Rho)| 0.5318429E-15 GRAD(Rho)x -0.1436873E-15 GRAD(Rho)y -0.3608835E-15 GRAD(Rho)z -0.3632823E-15 Laplacian 0.4996370E+00 (-1/4)Del**2(Rho)) -0.1249092E+00 Diamond 0.7745630E+00 Metallicity 0.4030576E+01 Ellipticity 0.9957704E-02 Gb(Abramov) 0.1671822E+00 Vb(Abramov) -0.2094551E+00 Hb(Abramov) -0.4227295E-01 Ex_ueg -0.4375005E-01 Ec_ueg -0.6556287E-02 Delta_ex -0.5083620E-01 Delta_ec 0.1336571E-01 Delta_et -0.1717943E+00 Pxc 0.6672991E+01 Qxc -0.3803480E+01 3,-1 172 3 -1 -0.492591 -0.376237 -0.385519 Rho 0.1443640E+00 |GRAD(Rho)| 0.2013573E-15 GRAD(Rho)x -0.7114344E-16 GRAD(Rho)y -0.1734936E-15 GRAD(Rho)z -0.7337126E-16 Laplacian 0.7847127E+00 (-1/4)Del**2(Rho)) -0.1961782E+00 Diamond 0.1824137E+01 Metallicity 0.3488730E+01 Ellipticity 0.2637543E-01 Gb(Abramov) 0.2448542E+00 Vb(Abramov) -0.2935303E+00 Hb(Abramov) -0.4867607E-01 Ex_ueg -0.5593243E-01 Ec_ueg -0.8083711E-02 Delta_ex -0.8668481E-01 Delta_ec 0.2581553E-01 Delta_et -0.3542538E+00 Pxc 0.6919152E+01 Qxc -0.3357855E+01 3,-1 173 3 -1 3.226624 3.094314 0.083840 Rho 0.2300320E+00 |GRAD(Rho)| 0.8448219E-14 GRAD(Rho)x -0.7731283E-14 GRAD(Rho)y -0.3342053E-15 GRAD(Rho)z 0.3389392E-14 Laplacian 0.8459229E+00 (-1/4)Del**2(Rho)) -0.2114807E+00 Diamond 0.2840999E+01 Metallicity 0.7034980E+01 Ellipticity 0.3090205E-02 Gb(Abramov) 0.3889476E+00 Vb(Abramov) -0.5664145E+00 Hb(Abramov) -0.1774669E+00 Ex_ueg -0.1040965E+00 Ec_ueg -0.1375278E-01 Delta_ex -0.1010706E+00 Delta_ec 0.1890227E-01 Delta_et -0.2613095E+00 Pxc 0.7569125E+01 Qxc -0.5347009E+01 3,-1 174 3 -1 -1.699886 0.537119 -2.815042 Rho 0.1681927E+00 |GRAD(Rho)| 0.2213851E-15 GRAD(Rho)x 0.6190794E-16 GRAD(Rho)y -0.2075163E-15 GRAD(Rho)z -0.4599728E-16 Laplacian 0.6937720E+00 (-1/4)Del**2(Rho)) -0.1734430E+00 Diamond 0.1593114E+01 Metallicity 0.5090279E+01 Ellipticity 0.3274980E-01 Gb(Abramov) 0.2627742E+00 Vb(Abramov) -0.3521054E+00 Hb(Abramov) -0.8933121E-01 Ex_ueg -0.6856901E-01 Ec_ueg -0.9618105E-02 Delta_ex -0.7647594E-01 Delta_ec 0.1679483E-01 Delta_et -0.2260662E+00 Pxc 0.7129160E+01 Qxc -0.4553541E+01 3,-1 175 3 -1 -1.964174 0.894546 3.055508 Rho 0.1505871E+00 |GRAD(Rho)| 0.3867079E-15 GRAD(Rho)x 0.2358140E-17 GRAD(Rho)y 0.3644681E-15 GRAD(Rho)z 0.1292301E-15 Laplacian 0.5805957E+00 (-1/4)Del**2(Rho)) -0.1451489E+00 Diamond 0.1178785E+01 Metallicity 0.5058853E+01 Ellipticity 0.6853609E-01 Gb(Abramov) 0.2191471E+00 Vb(Abramov) -0.2931453E+00 Hb(Abramov) -0.7399821E-01 Ex_ueg -0.5917005E-01 Ec_ueg -0.8481105E-02 Delta_ex -0.6237747E-01 Delta_ec 0.1465793E-01 Delta_et -0.1950953E+00 Pxc 0.6976691E+01 Qxc -0.4255544E+01 3,-1 176 3 -1 0.000639 -3.257757 -1.216622 Rho 0.3185587E-01 |GRAD(Rho)| 0.7144565E-15 GRAD(Rho)x 0.5593697E-15 GRAD(Rho)y 0.2138135E-15 GRAD(Rho)z 0.3896631E-15 Laplacian 0.1022187E+00 (-1/4)Del**2(Rho)) -0.2555468E-01 Diamond 0.4376511E-01 Metallicity 0.2158069E+01 Ellipticity 0.3802552E-02 Gb(Abramov) 0.2622791E-01 Vb(Abramov) -0.2690114E-01 Hb(Abramov) -0.6732324E-03 Ex_ueg -0.7458263E-02 Ec_ueg -0.1439727E-02 Delta_ex -0.8758917E-02 Delta_ec 0.5257177E-02 Delta_et -0.4905103E-01 Pxc 0.5180333E+01 Qxc -0.1666088E+01 3,-1 177 3 -1 -0.065160 -3.256891 3.103442 Rho 0.2283272E+00 |GRAD(Rho)| 0.1902175E-10 GRAD(Rho)x 0.3599879E-11 GRAD(Rho)y 0.1259442E-10 GRAD(Rho)z -0.1379307E-10 Laplacian 0.8461980E+00 (-1/4)Del**2(Rho)) -0.2115495E+00 Diamond 0.2810813E+01 Metallicity 0.6946039E+01 Ellipticity 0.5422337E-02 Gb(Abramov) 0.3859382E+00 Vb(Abramov) -0.5603268E+00 Hb(Abramov) -0.1743887E+00 Ex_ueg -0.1030691E+00 Ec_ueg -0.1363594E-01 Delta_ex -0.1008753E+00 Delta_ec 0.1889052E-01 Delta_et -0.2608145E+00 Pxc 0.7558638E+01 Qxc -0.5339996E+01 3,-1 178 3 -1 3.005050 -0.912180 2.057001 Rho 0.1818794E+00 |GRAD(Rho)| 0.2286011E-15 GRAD(Rho)x 0.1395097E-15 GRAD(Rho)y -0.1118355E-15 GRAD(Rho)z 0.1424371E-15 Laplacian 0.6916388E+00 (-1/4)Del**2(Rho)) -0.1729097E+00 Diamond 0.1759809E+01 Metallicity 0.5817098E+01 Ellipticity 0.6444391E-01 Gb(Abramov) 0.2829119E+00 Vb(Abramov) -0.3929141E+00 Hb(Abramov) -0.1100022E+00 Ex_ueg -0.7610790E-01 Ec_ueg -0.1051462E-01 Delta_ex -0.7787301E-01 Delta_ec 0.1661029E-01 Delta_et -0.2260744E+00 Pxc 0.7238294E+01 Qxc -0.4688239E+01 3,-1 179 3 -1 -3.084542 0.122725 -3.189574 Rho 0.2256345E+00 |GRAD(Rho)| 0.1332000E-12 GRAD(Rho)x 0.9784036E-13 GRAD(Rho)y -0.2950938E-13 GRAD(Rho)z 0.8543237E-13 Laplacian 0.8610351E+00 (-1/4)Del**2(Rho)) -0.2152588E+00 Diamond 0.2803229E+01 Metallicity 0.6692704E+01 Ellipticity 0.5049795E-02 Gb(Abramov) 0.3836164E+00 Vb(Abramov) -0.5519740E+00 Hb(Abramov) -0.1683576E+00 Ex_ueg -0.1014517E+00 Ec_ueg -0.1345173E-01 Delta_ex -0.1022339E+00 Delta_ec 0.1911929E-01 Delta_et -0.2631353E+00 Pxc 0.7541907E+01 Qxc -0.5347159E+01 3,-1 180 3 -1 -1.639457 -2.258483 -2.935076 Rho 0.3064908E+00 |GRAD(Rho)| 0.1693223E-12 GRAD(Rho)x -0.1585366E-12 GRAD(Rho)y 0.5879893E-13 GRAD(Rho)z 0.8880415E-14 Laplacian -0.1512125E+01 (-1/4)Del**2(Rho)) 0.3780313E+00 Diamond 0.5155702E+01 Metallicity -0.6349233E+01 Ellipticity 0.3127865E-02 Gb(Abramov) 0.1480139E+00 Vb(Abramov) -0.6740591E+00 Hb(Abramov) -0.5260452E+00 Ex_ueg -0.1526189E+00 Ec_ueg -0.1915666E-01 Delta_ex 0.1475193E+00 Delta_ec 0.5370806E-01 Delta_et -0.1249138E+01 Pxc 0.7966885E+01 Qxc 0.2746687E+01 3,-1 181 3 -1 0.901323 3.022738 -1.946510 Rho 0.1618271E+00 |GRAD(Rho)| 0.1609330E-15 GRAD(Rho)x 0.1244393E-15 GRAD(Rho)y -0.3713392E-17 GRAD(Rho)z -0.1019828E-15 Laplacian 0.6202839E+00 (-1/4)Del**2(Rho)) -0.1550710E+00 Diamond 0.1374997E+01 Metallicity 0.5338770E+01 Ellipticity 0.7233181E-01 Gb(Abramov) 0.2413620E+00 Vb(Abramov) -0.3276531E+00 Hb(Abramov) -0.8629105E-01 Ex_ueg -0.6513082E-01 Ec_ueg -0.9204865E-02 Delta_ex -0.6785566E-01 Delta_ec 0.1540917E-01 Delta_et -0.2071174E+00 Pxc 0.7075696E+01 Qxc -0.4403588E+01 3,-1 182 3 -1 -3.092962 -0.058744 3.299190 Rho 0.2289549E+00 |GRAD(Rho)| 0.3368480E-14 GRAD(Rho)x -0.8886121E-15 GRAD(Rho)y -0.1661974E-14 GRAD(Rho)z 0.2791929E-14 Laplacian 0.8460438E+00 (-1/4)Del**2(Rho)) -0.2115110E+00 Diamond 0.2822054E+01 Metallicity 0.6979164E+01 Ellipticity 0.2754489E-02 Gb(Abramov) 0.3870356E+00 Vb(Abramov) -0.5625602E+00 Hb(Abramov) -0.1755246E+00 Ex_ueg -0.1034471E+00 Ec_ueg -0.1367894E-01 Delta_ex -0.1009428E+00 Delta_ec 0.1889687E-01 Delta_et -0.2610381E+00 Pxc 0.7562508E+01 Qxc -0.5341776E+01 3,-1 183 3 -1 1.134107 -1.783389 -2.547691 Rho 0.3100263E+00 |GRAD(Rho)| 0.4912818E-12 GRAD(Rho)x -0.2499953E-12 GRAD(Rho)y 0.3164777E-12 GRAD(Rho)z -0.2805387E-12 Laplacian -0.1558261E+01 (-1/4)Del**2(Rho)) 0.3895653E+00 Diamond 0.5336971E+01 Metallicity -0.6280158E+01 Ellipticity 0.4888715E-02 Gb(Abramov) 0.1480451E+00 Vb(Abramov) -0.6856554E+00 Hb(Abramov) -0.5376103E+00 Ex_ueg -0.1549708E+00 Ec_ueg -0.1941434E-01 Delta_ex 0.1528997E+00 Delta_ec 0.5500667E-01 Delta_et -0.1286571E+01 Pxc 0.7982286E+01 Qxc 0.2779658E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 133 71 72 132 134 177 152 172 156 77 87 161 155 94 181 164 150 91 162 146 151 163 97 140 135 112 138 111 165 158 153 159 166 173 143 61 125 64 126 117 147 169 69 58 154 57 148 145 174 119 170 179 95 171 149 144 175 182 101 168 108 178 157 167 107 141 115 160 109 114 105 130 120 183 176 136 180 66 70 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 54 53 54 52 52 53 2.382801 2.049165 1.835674 2.055465 1.873981 1.735311 1.663750 1.635851 1.663029 1.663458 2.346067 2.047719 1.833897 2.087118 1.871348 1.735489 2.321507 1.859046 1.903140 2.020750 2.023525 1.737541 2.367835 1.876737 1.787811 2.188963 2.057069 1.742882 2.414671 1.849210 1.966921 1.911781 2.054874 1.732621 2.394357 1.927623 2.097779 1.865998 1.911161 1.735129 2.312284 1.896736 2.101184 1.838840 2.009707 1.737964 2.267530 1.963737 1.843938 2.128389 1.930778 1.739369 2.388062 1.978985 1.850711 2.064759 1.900908 1.734330 2.445446 2.046661 2.064166 1.825601 1.868247 1.734464 2.447695 2.029685 1.913555 1.986693 1.859502 1.732440 3.268847 3.201726 3.168240 1.004184 1.824841 1.702730 1.009401 1.729262 0.995676 2.383552 2.049603 1.836270 2.056183 1.874537 1.735337 1.663755 1.635959 1.663036 1.663477 2.346793 2.048146 1.834430 2.087817 1.871915 1.735529 2.322112 1.859550 1.903647 2.021350 2.024305 1.737571 2.368484 1.877266 1.787966 2.189732 2.057745 1.742915 2.415311 1.849695 1.967506 1.912535 2.055571 1.732637 2.395184 1.928407 2.098224 1.866482 1.911858 1.735165 2.313166 1.897471 2.101668 1.839286 2.010911 1.738003 2.268101 1.964343 1.844466 2.129046 1.932116 1.739414 2.388758 1.979597 1.851330 2.065449 1.901569 1.734354 2.446218 2.047195 2.064841 1.826061 1.868795 1.734494 2.448382 2.030343 1.915210 1.987510 1.860097 1.732458 3.313681 3.202781 3.171439 1.004284 1.827035 1.707812 1.009505 1.733469 0.995811 30 24 22 29 24 22 22 20 21 21 27 24 23 25 23 24 27 24 25 25 25 25 27 26 22 25 25 23 27 22 25 23 26 21 27 23 29 23 27 22 27 25 25 22 23 22 27 25 22 25 23 22 27 23 23 25 26 22 27 24 28 23 23 24 31 25 24 25 23 22 35 35 35 18 25 23 17 22 21 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 Mo Si Mo Mo Mo Mo Mo Mo Mo 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 O O O O O O O O O O O O O O O O H H H 2.3403 1.9781 2.3629 2.3588 2.2813 2.3450 2.3269 2.3540 2.3855 2.3332 2.3102 2.3293 -1.1471 -1.1071 -1.1458 -1.1585 -0.9071 -0.9228 -0.9068 -0.8954 -0.7350 -0.8954 -0.9031 -0.8954 -0.8886 -0.8997 -0.9103 -0.8425 -0.8726 -0.8881 -0.9030 -0.8933 -0.8993 -0.8888 -0.9064 -0.7535 -0.8243 -0.9016 -0.9125 -0.8994 -0.7206 -0.7151 -0.7165 -0.7230 -0.7406 -0.7135 -0.7185 -0.7211 -0.7194 -0.7179 -0.7214 0.2969 0.3334 0.2950 1.9011 2.3199 1.8974 1.9055 1.9409 1.9038 1.9080 1.9341 1.9150 1.9022 1.9251 1.9182 1.9009 1.8999 1.9005 1.9003 1.9428 1.9442 1.9419 1.9472 1.8817 1.9472 1.9486 1.9475 1.9500 1.9497 1.9433 1.9729 1.9595 1.9546 1.9508 1.9534 1.9523 1.9554 1.9514 1.8834 1.8822 1.9506 1.9527 1.9536 1.9749 1.9748 1.9753 1.9739 1.9723 1.9763 1.9745 1.9730 1.9728 1.9752 1.9747 0.5472 0.5248 0.5414 6.0941 7.1119 6.0834 6.0863 6.1065 6.0940 6.0966 6.0811 6.0762 6.0979 6.0949 6.1002 5.2194 5.1802 5.2185 5.2299 4.9376 4.9517 4.9393 4.9206 4.8232 4.9219 4.9262 4.9202 4.9107 4.9222 4.9396 4.8381 4.8839 4.9025 4.9233 4.9105 4.9176 4.9046 4.9262 4.8404 4.9113 4.9235 4.9306 4.9163 4.7132 4.7073 4.7087 4.7170 4.7371 4.7042 4.7114 4.7161 4.7148 4.7100 4.7139 0.1559 0.1418 0.1636 3.6645 0.5901 3.6563 3.6494 3.6713 3.6573 3.6686 3.6308 3.6232 3.6667 3.6697 3.6522 0.0268 0.0270 0.0268 0.0283 0.0267 0.0269 0.0256 0.0276 0.0301 0.0263 0.0283 0.0278 0.0279 0.0279 0.0274 0.0315 0.0292 0.0310 0.0289 0.0295 0.0294 0.0288 0.0288 0.0296 0.0308 0.0275 0.0292 0.0295 0.0325 0.0330 0.0326 0.0322 0.0312 0.0330 0.0326 0.0320 0.0317 0.0327 0.0328 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo Si Mo Mo Mo Mo Mo Mo Mo 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 O O O O O O O O O O O O O O O O H H H 3.171838 1.761930 3.172956 3.182597 3.148220 3.179648 3.173991 3.183647 3.191369 3.176587 3.169431 3.174649 -1.194299 -1.130318 -1.193615 -1.206293 -1.184716 -1.183609 -1.183479 -1.166149 -0.730204 -1.165975 -1.165666 -1.167622 -1.157893 -1.155954 -1.186543 -0.912207 -1.132573 -1.130452 -1.162612 -1.151523 -1.157804 -1.137263 -1.160725 -0.723787 -0.658205 -1.156522 -1.164692 -1.153498 -0.986287 -0.985354 -0.981192 -0.989175 -1.010894 -0.977289 -0.986372 -0.987744 -0.983298 -0.983730 -0.988357 0.046097 0.054080 0.046850 2.377576 1.332785 2.383130 2.379910 2.339396 2.383325 2.377953 2.358145 2.356317 2.380635 2.380521 2.353921 -0.927388 -0.865687 -0.927106 -0.937108 -0.904173 -0.921889 -0.899160 -0.908078 -0.807660 -0.910968 -0.884252 -0.906410 -0.908401 -0.900674 -0.905638 -0.734233 -0.913843 -0.906838 -0.919170 -0.926503 -0.924829 -0.899785 -0.931044 -0.818156 -0.837485 -0.930808 -0.934768 -0.924613 -0.746474 -0.733686 -0.739731 -0.755325 -0.777397 -0.737417 -0.749512 -0.743434 -0.741443 -0.744634 -0.747380 0.341619 0.298595 0.289271 2.451521 1.327263 2.452216 2.457604 2.399752 2.460148 2.453826 2.498224 2.505782 2.457436 2.454927 2.446857 -0.917200 -0.931834 -0.924324 -0.934172 -0.988601 -0.997804 -0.986558 -0.985638 -0.871525 -0.988385 -0.971888 -0.970996 -0.985382 -1.012631 -0.977954 -0.818354 -0.944494 -0.969140 -0.971214 -0.958318 -0.954766 -0.943799 -0.978679 -0.923174 -0.961740 -0.970269 -0.992843 -0.966451 -0.705539 -0.712802 -0.699381 -0.710851 -0.736725 -0.693581 -0.711615 -0.732614 -0.740036 -0.701078 -0.713173 0.535926 0.398584 0.355462 1.08846553 -1.65725877 -2.49983773 3.19068214 -14.26781387 1.94590732 -2.41603373 8.91887122 13.33825789 5.34894265 -326.0982 406.2486 -151.3144 -345.4826 -29.5505 -446.1970 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 0 Mar07-2024 12:57:19 Nodes: 1 Procs: 1 Mar07-2024 12:57:20 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Mar07-2024 12:57:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 12:57:22 Nodes: 1 Procs: 1 Mar07-2024 12:57:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar07-2024 12:57:23 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -16.35589301 -16.38333761 -16.39029517 -16.39312092 -16.39557400 -16.39688124 -16.39726372 -16.39735432 -16.39741661 -16.39742279 -16.39742454 -16.39743080 -16.39743754 -16.39743894 GEOMETRY CONVERGED