ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 10:05:47 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.64 0.01 0.69 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 10:05:48 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.73 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 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 0 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 10:05:49 Arsenic (TZP, 3p frozen) kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.40 0.03 0.47 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 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 0 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar03-2024 10:05:49 Nodes: 1 Procs: 1 Mar03-2024 10:05:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 10:05:50 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1866.177599999997 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3.938859 -0.012912 -1.933360 2.156844 -4.449594 -3.810639 -3.690765 0.242463 -0.899444 -2.753082 -4.452628 -5.189730 1.122115 -0.003841 0.989493 3.079674 4.208032 5.102223 -1.446875 0.251685 0.000103 0.000104 0.000255 1 3 -3 -1.966231 -0.363745 3.014899 Rho 0.1240648E+06 3,-3 2 3 -3 0.939070 -3.492574 -0.195959 Rho 0.1240648E+06 3,-3 3 3 -3 2.152121 0.402593 -2.891905 Rho 0.1240648E+06 3,-3 4 3 -3 -1.121186 3.447207 0.072063 Rho 0.1240647E+06 3,-3 5 3 -3 1.295619 -1.530324 3.026199 Rho 0.1240648E+06 3,-3 6 3 -3 2.550386 2.565317 -0.208533 Rho 0.1240648E+06 3,-3 7 3 -3 -1.423640 1.659685 -2.886210 Rho 0.1240647E+06 3,-3 8 3 -3 -2.426333 -2.688751 0.064457 Rho 0.1240648E+06 3,-3 9 3 -3 -0.722596 -2.062211 -2.889648 Rho 0.1240648E+06 3,-3 10 3 -3 -3.492901 0.934469 -0.196889 Rho 0.1240647E+06 3,-3 11 3 -3 0.678459 1.881379 3.017004 Rho 0.1240648E+06 3,-3 12 3 -3 3.542109 -0.749831 0.074025 Rho 0.1240648E+06 3,-3 13 3 -3 0.001566 -0.003982 1.699384 Rho 0.3190257E+03 3,-3 14 3 -3 -0.415288 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3,-3 48 3 -3 -3.810639 -3.690765 0.242463 Rho 0.3195345E+03 3,-3 49 3 -3 -0.899444 -2.753082 -4.452628 Rho 0.3195345E+03 3,-3 50 3 -3 -5.189730 1.122115 -0.003841 Rho 0.3195346E+03 3,-3 51 3 -3 0.989493 3.079674 4.208032 Rho 0.3195354E+03 3,-3 52 3 -3 5.102223 -1.446875 0.251685 Rho 0.3195343E+03 3,-3 53 3 -3 0.000103 0.000104 0.000255 Rho 0.4276079E+05 3,-3 54 3 +1 -1.498027 0.437742 0.961005 Rho 0.8728194E-02 |GRAD(Rho)| 0.1335822E-12 GRAD(Rho)x -0.1231081E-12 GRAD(Rho)y 0.4499254E-13 GRAD(Rho)z -0.2577347E-13 Laplacian 0.3386039E-01 (-1/4)Del**2(Rho)) -0.8465098E-02 Diamond 0.9372855E-03 Metallicity 0.7530004E+00 Ellipticity -0.1474288E+01 Gb(Abramov) 0.6705769E-02 Vb(Abramov) -0.4946440E-02 Hb(Abramov) 0.1759329E-02 Ex_ueg -0.1327245E-02 Ec_ueg -0.3107195E-03 Delta_ex -0.1558284E-02 Delta_ec 0.4864703E-03 Delta_et -0.3329585E-02 Pxc 0.4271519E+01 Qxc -0.3203246E+01 3,+1 55 3 +1 -2.753785 -0.738647 1.007471 Rho 0.1164135E-01 |GRAD(Rho)| 0.7647016E-15 GRAD(Rho)x -0.3265651E-15 GRAD(Rho)y 0.5490399E-15 GRAD(Rho)z -0.4203321E-15 Laplacian 0.5778798E-01 (-1/4)Del**2(Rho)) -0.1444700E-01 Diamond 0.2226378E-02 Metallicity 0.7130408E+00 Ellipticity -0.1243006E+01 Gb(Abramov) 0.1134821E-01 Vb(Abramov) -0.8249431E-02 Hb(Abramov) 0.3098782E-02 Ex_ueg -0.1948600E-02 Ec_ueg -0.4430377E-03 Delta_ex -0.2819470E-02 Delta_ec 0.7528615E-03 Delta_et -0.5601239E-02 Pxc 0.4398271E+01 Qxc -0.3745005E+01 3,+1 56 3 +1 -2.234621 -0.851689 -1.675660 Rho 0.5344712E-02 |GRAD(Rho)| 0.1050570E-16 GRAD(Rho)x -0.4313939E-17 GRAD(Rho)y -0.2655660E-17 GRAD(Rho)z 0.9203648E-17 Laplacian 0.2208777E-01 (-1/4)Del**2(Rho)) -0.5521944E-02 Diamond 0.5447468E-03 Metallicity 0.5097240E+00 Ellipticity -0.2725064E+01 Gb(Abramov) 0.4150407E-02 Vb(Abramov) -0.2778870E-02 Hb(Abramov) 0.1371537E-02 Ex_ueg -0.6901616E-03 Ec_ueg -0.1617772E-03 Delta_ex -0.1096627E-02 Delta_ec 0.6672406E-03 Delta_et -0.3708255E-02 Pxc 0.4266124E+01 Qxc -0.1643526E+01 3,+1 57 3 -1 -2.857048 -1.750937 -0.180330 Rho 0.1078249E+00 |GRAD(Rho)| 0.1332191E-13 GRAD(Rho)x -0.5332499E-14 GRAD(Rho)y -0.1190111E-13 GRAD(Rho)z 0.2720551E-14 Laplacian 0.4458563E+00 (-1/4)Del**2(Rho)) -0.1114641E+00 Diamond 0.6053451E+00 Metallicity 0.3775288E+01 Ellipticity 0.1123408E-01 Gb(Abramov) 0.1444442E+00 Vb(Abramov) -0.1774244E+00 Hb(Abramov) -0.3298014E-01 Ex_ueg -0.3790332E-01 Ec_ueg -0.5801447E-02 Delta_ex -0.4419341E-01 Delta_ec 0.1217305E-01 Delta_et -0.1533652E+00 Pxc 0.6533424E+01 Qxc -0.3630431E+01 3,-1 58 3 +1 -1.738295 -0.472556 -0.353376 Rho 0.8672706E-02 |GRAD(Rho)| 0.4686652E-17 GRAD(Rho)x 0.5279795E-18 GRAD(Rho)y 0.2823316E-18 GRAD(Rho)z -0.4648250E-17 Laplacian 0.3366480E-01 (-1/4)Del**2(Rho)) -0.8416201E-02 Diamond 0.9251487E-03 Metallicity 0.7493675E+00 Ellipticity -0.1472485E+01 Gb(Abramov) 0.6661938E-02 Vb(Abramov) -0.4907676E-02 Hb(Abramov) 0.1754262E-02 Ex_ueg -0.1316006E-02 Ec_ueg -0.3082344E-03 Delta_ex -0.1547388E-02 Delta_ec 0.4847269E-03 Delta_et -0.3311345E-02 Pxc 0.4269498E+01 Qxc -0.3192287E+01 3,+1 59 3 -1 -2.296968 -0.616537 -1.682132 Rho 0.5383852E-02 |GRAD(Rho)| 0.1955536E-14 GRAD(Rho)x -0.1221923E-14 GRAD(Rho)y 0.1164073E-14 GRAD(Rho)z 0.9879066E-15 Laplacian 0.2168441E-01 (-1/4)Del**2(Rho)) -0.5421102E-02 Diamond 0.6505557E-03 Metallicity 0.5255581E+00 Ellipticity 0.2879881E+01 Gb(Abramov) 0.4088919E-02 Vb(Abramov) -0.2756735E-02 Hb(Abramov) 0.1332183E-02 Ex_ueg -0.6969086E-03 Ec_ueg -0.1634687E-03 Delta_ex -0.1171110E-02 Delta_ec 0.8210177E-03 Delta_et -0.4503513E-02 Pxc 0.4263254E+01 Qxc -0.1426413E+01 3,-1 60 3 -1 -2.304907 -2.270184 0.957951 Rho 0.1541127E+00 |GRAD(Rho)| 0.1704395E-15 GRAD(Rho)x 0.1144375E-15 GRAD(Rho)y -0.7438982E-16 GRAD(Rho)z -0.1020776E-15 Laplacian 0.6422357E+00 (-1/4)Del**2(Rho)) -0.1605589E+00 Diamond 0.1318733E+01 Metallicity 0.4753166E+01 Ellipticity 0.2948711E-01 Gb(Abramov) 0.2342331E+00 Vb(Abramov) -0.3079074E+00 Hb(Abramov) -0.7367422E-01 Ex_ueg -0.6102434E-01 Ec_ueg -0.8707306E-02 Delta_ex -0.6918374E-01 Delta_ec 0.1574398E-01 Delta_et -0.2093013E+00 Pxc 0.7008407E+01 Qxc -0.4394298E+01 3,-1 61 3 +1 -1.785809 1.778615 1.472278 Rho 0.5398803E-02 |GRAD(Rho)| 0.4309002E-17 GRAD(Rho)x 0.1785545E-17 GRAD(Rho)y 0.1733453E-17 GRAD(Rho)z -0.3517736E-17 Laplacian 0.2229607E-01 (-1/4)Del**2(Rho)) -0.5574018E-02 Diamond 0.5523939E-03 Metallicity 0.5135081E+00 Ellipticity -0.2661542E+01 Gb(Abramov) 0.4193063E-02 Vb(Abramov) -0.2812107E-02 Hb(Abramov) 0.1380955E-02 Ex_ueg -0.6994904E-03 Ec_ueg -0.1641151E-03 Delta_ex -0.1104994E-02 Delta_ec 0.6660649E-03 Delta_et -0.3715984E-02 Pxc 0.4262194E+01 Qxc -0.1658988E+01 3,+1 62 3 +1 -1.078628 -1.123161 0.972634 Rho 0.8678401E-02 |GRAD(Rho)| 0.8799315E-17 GRAD(Rho)x 0.4822132E-18 GRAD(Rho)y -0.8386725E-17 GRAD(Rho)z -0.2618827E-17 Laplacian 0.3370321E-01 (-1/4)Del**2(Rho)) -0.8425801E-02 Diamond 0.9262453E-03 Metallicity 0.7493329E+00 Ellipticity -0.1471148E+01 Gb(Abramov) 0.6669489E-02 Vb(Abramov) -0.4913177E-02 Hb(Abramov) 0.1756312E-02 Ex_ueg -0.1317158E-02 Ec_ueg -0.3084894E-03 Delta_ex -0.1549059E-02 Delta_ec 0.4846540E-03 Delta_et -0.3311904E-02 Pxc 0.4269704E+01 Qxc -0.3196216E+01 3,+1 63 3 +1 -2.355650 -0.375662 -1.685201 Rho 0.5342691E-02 |GRAD(Rho)| 0.5930504E-16 GRAD(Rho)x -0.5879806E-16 GRAD(Rho)y -0.7236838E-17 GRAD(Rho)z 0.2739199E-17 Laplacian 0.2207836E-01 (-1/4)Del**2(Rho)) -0.5519590E-02 Diamond 0.5432618E-03 Metallicity 0.5096200E+00 Ellipticity -0.2694192E+01 Gb(Abramov) 0.4148542E-02 Vb(Abramov) -0.2777494E-02 Hb(Abramov) 0.1371048E-02 Ex_ueg -0.6898137E-03 Ec_ueg -0.1616899E-03 Delta_ex -0.1095249E-02 Delta_ec 0.6654753E-03 Delta_et -0.3698645E-02 Pxc 0.4266276E+01 Qxc -0.1645814E+01 3,+1 64 3 +3 -1.761846 -0.474608 0.643301 Rho 0.5057574E-02 |GRAD(Rho)| 0.7963440E-14 GRAD(Rho)x -0.7616988E-14 GRAD(Rho)y -0.1977704E-14 GRAD(Rho)z -0.1219244E-14 Laplacian 0.1965497E-01 (-1/4)Del**2(Rho)) -0.4913743E-02 Diamond 0.1397777E-03 Metallicity 0.5224497E+00 Ellipticity -0.6395578E-02 Gb(Abramov) 0.3703693E-02 Vb(Abramov) -0.2493642E-02 Hb(Abramov) 0.1210050E-02 Ex_ueg -0.6411722E-03 Ec_ueg -0.1493913E-03 Delta_ex -0.6815490E-03 Delta_ec 0.8715438E-04 Delta_et -0.6896701E-03 Pxc 0.4291899E+01 Qxc -0.7820020E+01 3,+3 65 3 -1 -2.604644 -0.538077 3.652516 Rho 0.2391053E+00 |GRAD(Rho)| 0.8201299E-14 GRAD(Rho)x -0.7954412E-14 GRAD(Rho)y -0.1965537E-14 GRAD(Rho)z 0.3539920E-15 Laplacian 0.8609595E+00 (-1/4)Del**2(Rho)) -0.2152399E+00 Diamond 0.3039870E+01 Metallicity 0.7372459E+01 Ellipticity 0.2050778E-02 Gb(Abramov) 0.4079678E+00 Vb(Abramov) -0.6006957E+00 Hb(Abramov) -0.1927279E+00 Ex_ueg -0.1096067E+00 Ec_ueg -0.1437729E-01 Delta_ex -0.1039658E+00 Delta_ec 0.1912213E-01 Delta_et -0.2652000E+00 Pxc 0.7623605E+01 Qxc -0.5436936E+01 3,-1 66 3 +1 -1.200974 2.302491 -1.058389 Rho 0.2688068E-01 |GRAD(Rho)| 0.1749547E-12 GRAD(Rho)x -0.2127338E-13 GRAD(Rho)y -0.4706471E-13 GRAD(Rho)z -0.1671571E-12 Laplacian 0.1072818E+00 (-1/4)Del**2(Rho)) -0.2682044E-01 Diamond 0.1557943E-01 Metallicity 0.1549368E+01 Ellipticity -0.3782423E+01 Gb(Abramov) 0.2480608E-01 Vb(Abramov) -0.2279172E-01 Hb(Abramov) 0.2014359E-02 Ex_ueg -0.5947103E-02 Ec_ueg -0.1183862E-02 Delta_ex -0.6810506E-02 Delta_ec 0.1833578E-02 Delta_et -0.1647097E-01 Pxc 0.5023477E+01 Qxc -0.3714325E+01 3,+1 67 3 +3 -1.834685 -0.488480 -1.343163 Rho 0.4642526E-02 |GRAD(Rho)| 0.7775386E-15 GRAD(Rho)x 0.3095131E-15 GRAD(Rho)y 0.6272366E-15 GRAD(Rho)z 0.3396206E-15 Laplacian 0.1897531E-01 (-1/4)Del**2(Rho)) -0.4743827E-02 Diamond 0.1713576E-03 Metallicity 0.4691894E+00 Ellipticity -0.3212792E+00 Gb(Abramov) 0.3533510E-02 Vb(Abramov) -0.2323193E-02 Hb(Abramov) 0.1210317E-02 Ex_ueg -0.5719932E-03 Ec_ueg -0.1315618E-03 Delta_ex -0.6951911E-03 Delta_ec 0.1781031E-03 Delta_et -0.1116764E-02 Pxc 0.4347714E+01 Qxc -0.3903308E+01 3,+3 68 3 +1 0.369123 -1.523845 0.960152 Rho 0.8634451E-02 |GRAD(Rho)| 0.2176408E-13 GRAD(Rho)x -0.5204283E-14 GRAD(Rho)y 0.1816470E-13 GRAD(Rho)z 0.1079973E-13 Laplacian 0.3353470E-01 (-1/4)Del**2(Rho)) -0.8383675E-02 Diamond 0.9170553E-03 Metallicity 0.7467524E+00 Ellipticity -0.1471223E+01 Gb(Abramov) 0.6632538E-02 Vb(Abramov) -0.4881401E-02 Hb(Abramov) 0.1751137E-02 Ex_ueg -0.1308272E-02 Ec_ueg -0.3065218E-03 Delta_ex -0.1540145E-02 Delta_ec 0.4836670E-03 Delta_et -0.3299685E-02 Pxc 0.4268120E+01 Qxc -0.3184308E+01 3,+1 69 3 -1 -2.082702 -1.179503 2.349415 Rho 0.1086808E+00 |GRAD(Rho)| 0.1441029E-12 GRAD(Rho)x 0.5874585E-13 GRAD(Rho)y -0.1278637E-12 GRAD(Rho)z 0.3107185E-13 Laplacian 0.4493449E+00 (-1/4)Del**2(Rho)) -0.1123362E+00 Diamond 0.6157672E+00 Metallicity 0.3795664E+01 Ellipticity 0.1090963E-01 Gb(Abramov) 0.1459559E+00 Vb(Abramov) -0.1795756E+00 Hb(Abramov) -0.3361970E-01 Ex_ueg -0.3830499E-01 Ec_ueg -0.5853837E-02 Delta_ex -0.4461990E-01 Delta_ec 0.1224219E-01 Delta_et -0.1544593E+00 Pxc 0.6543569E+01 Qxc -0.3644765E+01 3,-1 70 3 +1 1.507455 -1.847625 -1.683942 Rho 0.5307385E-02 |GRAD(Rho)| 0.1937299E-15 GRAD(Rho)x -0.1139346E-15 GRAD(Rho)y -0.1558325E-15 GRAD(Rho)z 0.1632195E-16 Laplacian 0.2191672E-01 (-1/4)Del**2(Rho)) -0.5479181E-02 Diamond 0.5385926E-03 Metallicity 0.5077367E+00 Ellipticity -0.2787509E+01 Gb(Abramov) 0.4116451E-02 Vb(Abramov) -0.2753721E-02 Hb(Abramov) 0.1362730E-02 Ex_ueg -0.6837425E-03 Ec_ueg -0.1601647E-03 Delta_ex -0.1089319E-02 Delta_ec 0.6668756E-03 Delta_et -0.3696468E-02 Pxc 0.4268995E+01 Qxc -0.1633467E+01 3,+1 71 3 -1 -0.082156 -3.693067 0.023301 Rho 0.1093336E+00 |GRAD(Rho)| 0.1031205E-12 GRAD(Rho)x 0.1002863E-12 GRAD(Rho)y 0.4135560E-14 GRAD(Rho)z -0.2365162E-13 Laplacian 0.4227844E+00 (-1/4)Del**2(Rho)) -0.1056961E+00 Diamond 0.5843352E+00 Metallicity 0.4074586E+01 Ellipticity 0.2240000E-01 Gb(Abramov) 0.1422420E+00 Vb(Abramov) -0.1787880E+00 Hb(Abramov) -0.3654593E-01 Ex_ueg -0.3861207E-01 Ec_ueg -0.5893834E-02 Delta_ex -0.4205348E-01 Delta_ec 0.1152383E-01 Delta_et -0.1455883E+00 Pxc 0.6551265E+01 Qxc -0.3649262E+01 3,-1 72 3 +1 0.248312 0.900977 -1.580521 Rho 0.8665460E-02 |GRAD(Rho)| 0.1346753E-11 GRAD(Rho)x -0.3992645E-12 GRAD(Rho)y -0.1273722E-11 GRAD(Rho)z -0.1787800E-12 Laplacian 0.3361439E-01 (-1/4)Del**2(Rho)) -0.8403598E-02 Diamond 0.9226871E-03 Metallicity 0.7494465E+00 Ellipticity -0.1472918E+01 Gb(Abramov) 0.6652073E-02 Vb(Abramov) -0.4900548E-02 Hb(Abramov) 0.1751525E-02 Ex_ueg -0.1314540E-02 Ec_ueg -0.3079099E-03 Delta_ex -0.1544734E-02 Delta_ec 0.4839814E-03 Delta_et -0.3305553E-02 Pxc 0.4269236E+01 Qxc -0.3191721E+01 3,+1 73 3 +3 0.489573 1.836010 -1.342897 Rho 0.4637790E-02 |GRAD(Rho)| 0.1487463E-15 GRAD(Rho)x -0.8013556E-16 GRAD(Rho)y 0.1194085E-15 GRAD(Rho)z 0.3801789E-16 Laplacian 0.1896431E-01 (-1/4)Del**2(Rho)) -0.4741078E-02 Diamond 0.1706241E-03 Metallicity 0.4686635E+00 Ellipticity -0.3188283E+00 Gb(Abramov) 0.3531047E-02 Vb(Abramov) -0.2321016E-02 Hb(Abramov) 0.1210031E-02 Ex_ueg -0.5712153E-03 Ec_ueg -0.1313589E-03 Delta_ex -0.6941997E-03 Delta_ec 0.1772720E-03 Delta_et -0.1112275E-02 Pxc 0.4348509E+01 Qxc -0.3916014E+01 3,+3 74 3 +1 0.458315 1.745250 -0.355756 Rho 0.8626182E-02 |GRAD(Rho)| 0.8455356E-17 GRAD(Rho)x -0.7531900E-17 GRAD(Rho)y -0.1432855E-17 GRAD(Rho)z -0.3565173E-17 Laplacian 0.3350008E-01 (-1/4)Del**2(Rho)) -0.8375021E-02 Diamond 0.9145266E-03 Metallicity 0.7463313E+00 Ellipticity -0.1470395E+01 Gb(Abramov) 0.6625104E-02 Vb(Abramov) -0.4875187E-02 Hb(Abramov) 0.1749917E-02 Ex_ueg -0.1306602E-02 Ec_ueg -0.3061517E-03 Delta_ex -0.1538010E-02 Delta_ec 0.4828577E-03 Delta_et -0.3293593E-02 Pxc 0.4267824E+01 Qxc -0.3185223E+01 3,+1 75 3 +3 0.470370 1.765320 0.640201 Rho 0.5037951E-02 |GRAD(Rho)| 0.1436685E-16 GRAD(Rho)x 0.1281491E-16 GRAD(Rho)y -0.6372214E-17 GRAD(Rho)z -0.1256712E-17 Laplacian 0.1958773E-01 (-1/4)Del**2(Rho)) -0.4896934E-02 Diamond 0.1388190E-03 Metallicity 0.5208574E+00 Ellipticity -0.2134973E-01 Gb(Abramov) 0.3689723E-02 Vb(Abramov) -0.2482513E-02 Hb(Abramov) 0.1207211E-02 Ex_ueg -0.6378574E-03 Ec_ueg -0.1485463E-03 Delta_ex -0.6787231E-03 Delta_ec 0.8728195E-04 Delta_et -0.6889978E-03 Pxc 0.4293996E+01 Qxc -0.7776214E+01 3,+3 76 3 +1 -0.431107 1.492407 0.976609 Rho 0.8676438E-02 |GRAD(Rho)| 0.7062533E-17 GRAD(Rho)x -0.2619646E-17 GRAD(Rho)y 0.5566839E-17 GRAD(Rho)z -0.3468014E-17 Laplacian 0.3365789E-01 (-1/4)Del**2(Rho)) -0.8414473E-02 Diamond 0.9266669E-03 Metallicity 0.7500588E+00 Ellipticity -0.1474959E+01 Gb(Abramov) 0.6661540E-02 Vb(Abramov) -0.4908608E-02 Hb(Abramov) 0.1752933E-02 Ex_ueg -0.1316761E-02 Ec_ueg -0.3084014E-03 Delta_ex -0.1547757E-02 Delta_ec 0.4855543E-03 Delta_et -0.3316632E-02 Pxc 0.4269633E+01 Qxc -0.3187608E+01 3,+1 77 3 +1 2.158186 0.570849 1.883034 Rho 0.5362377E-02 |GRAD(Rho)| 0.3117189E-17 GRAD(Rho)x -0.1401840E-18 GRAD(Rho)y -0.2870595E-17 GRAD(Rho)z -0.1207022E-17 Laplacian 0.2215636E-01 (-1/4)Del**2(Rho)) -0.5539091E-02 Diamond 0.5467544E-03 Metallicity 0.5109483E+00 Ellipticity -0.2688587E+01 Gb(Abramov) 0.4164425E-02 Vb(Abramov) -0.2789760E-02 Hb(Abramov) 0.1374665E-02 Ex_ueg -0.6932047E-03 Ec_ueg -0.1625405E-03 Delta_ex -0.1098962E-02 Delta_ec 0.6661186E-03 Delta_et -0.3707003E-02 Pxc 0.4264811E+01 Qxc -0.1649799E+01 3,+1 78 3 +1 -0.365888 0.703924 2.686895 Rho 0.2705674E-01 |GRAD(Rho)| 0.2059667E-14 GRAD(Rho)x 0.1031072E-14 GRAD(Rho)y 0.1611914E-14 GRAD(Rho)z 0.7621375E-15 Laplacian 0.1080581E+00 (-1/4)Del**2(Rho)) -0.2701452E-01 Diamond 0.1579730E-01 Metallicity 0.1555065E+01 Ellipticity -0.3765875E+01 Gb(Abramov) 0.2501123E-01 Vb(Abramov) -0.2300795E-01 Hb(Abramov) 0.2003286E-02 Ex_ueg -0.5999095E-02 Ec_ueg -0.1192815E-02 Delta_ex -0.6868229E-02 Delta_ec 0.1840461E-02 Delta_et -0.1656006E-01 Pxc 0.5029358E+01 Qxc -0.3731797E+01 3,+1 79 3 -1 1.349102 2.054926 2.305959 Rho 0.1553378E+00 |GRAD(Rho)| 0.3345956E-14 GRAD(Rho)x -0.1625531E-14 GRAD(Rho)y -0.5905141E-15 GRAD(Rho)z 0.2864327E-14 Laplacian 0.6471988E+00 (-1/4)Del**2(Rho)) -0.1617997E+00 Diamond 0.1339865E+01 Metallicity 0.4779369E+01 Ellipticity 0.3085604E-01 Gb(Abramov) 0.2367499E+00 Vb(Abramov) -0.3117001E+00 Hb(Abramov) -0.7495018E-01 Ex_ueg -0.6167197E-01 Ec_ueg -0.8786079E-02 Delta_ex -0.6983881E-01 Delta_ec 0.1580395E-01 Delta_et -0.2102345E+00 Pxc 0.7019282E+01 Qxc -0.4419074E+01 3,-1 80 3 -1 -0.442421 1.533488 -2.972542 Rho 0.1550332E+00 |GRAD(Rho)| 0.7816735E-12 GRAD(Rho)x 0.6079619E-12 GRAD(Rho)y 0.4906507E-12 GRAD(Rho)z 0.2564562E-13 Laplacian 0.6458936E+00 (-1/4)Del**2(Rho)) -0.1614734E+00 Diamond 0.1334527E+01 Metallicity 0.4773387E+01 Ellipticity 0.3047184E-01 Gb(Abramov) 0.2361115E+00 Vb(Abramov) -0.3107495E+00 Hb(Abramov) -0.7463805E-01 Ex_ueg -0.6151079E-01 Ec_ueg -0.8766486E-02 Delta_ex -0.6966889E-01 Delta_ec 0.1578869E-01 Delta_et -0.2100016E+00 Pxc 0.7016585E+01 Qxc -0.4412583E+01 3,-1 81 3 -1 0.331486 0.921200 2.312498 Rho 0.4445194E-01 |GRAD(Rho)| 0.3875432E-16 GRAD(Rho)x 0.2024462E-16 GRAD(Rho)y 0.1195418E-16 GRAD(Rho)z 0.3080828E-16 Laplacian 0.1855787E+00 (-1/4)Del**2(Rho)) -0.4639466E-01 Diamond 0.8195951E-01 Metallicity 0.2071268E+01 Ellipticity 0.1333118E-01 Gb(Abramov) 0.4694574E-01 Vb(Abramov) -0.4749681E-01 Hb(Abramov) -0.5510752E-03 Ex_ueg -0.1162981E-01 Ec_ueg -0.2110574E-02 Delta_ex -0.1492162E-01 Delta_ec 0.5695005E-02 Delta_et -0.5825084E-01 Pxc 0.5510260E+01 Qxc -0.2620125E+01 3,-1 82 3 -1 -0.236560 1.477211 3.374354 Rho 0.1101905E+00 |GRAD(Rho)| 0.4864620E-13 GRAD(Rho)x -0.2696378E-13 GRAD(Rho)y -0.3556349E-13 GRAD(Rho)z -0.1935577E-13 Laplacian 0.4257589E+00 (-1/4)Del**2(Rho)) -0.1064397E+00 Diamond 0.5941328E+00 Metallicity 0.4099113E+01 Ellipticity 0.2292399E-01 Gb(Abramov) 0.1436779E+00 Vb(Abramov) -0.1809161E+00 Hb(Abramov) -0.3723817E-01 Ex_ueg -0.3901612E-01 Ec_ueg -0.5946388E-02 Delta_ex -0.4242934E-01 Delta_ec 0.1158775E-01 Delta_et -0.1466136E+00 Pxc 0.6561314E+01 Qxc -0.3661568E+01 3,-1 83 3 +1 -1.569170 1.579046 1.889881 Rho 0.5387817E-02 |GRAD(Rho)| 0.3996207E-17 GRAD(Rho)x 0.6467097E-18 GRAD(Rho)y 0.2391386E-17 GRAD(Rho)z -0.3135716E-17 Laplacian 0.2229191E-01 (-1/4)Del**2(Rho)) -0.5572977E-02 Diamond 0.5457783E-03 Metallicity 0.5118633E+00 Ellipticity -0.2515994E+01 Gb(Abramov) 0.4190752E-02 Vb(Abramov) -0.2808526E-02 Hb(Abramov) 0.1382225E-02 Ex_ueg -0.6975931E-03 Ec_ueg -0.1636401E-03 Delta_ex -0.1100137E-02 Delta_ec 0.6584358E-03 Delta_et -0.3674360E-02 Pxc 0.4262971E+01 Qxc -0.1670834E+01 3,+1 84 3 +1 1.279161 -1.266975 -0.351633 Rho 0.8680957E-02 |GRAD(Rho)| 0.2052252E-14 GRAD(Rho)x -0.1818549E-14 GRAD(Rho)y 0.9099312E-15 GRAD(Rho)z -0.2768491E-15 Laplacian 0.3361225E-01 (-1/4)Del**2(Rho)) -0.8403062E-02 Diamond 0.9252116E-03 Metallicity 0.7517295E+00 Ellipticity -0.1476410E+01 Gb(Abramov) 0.6654846E-02 Vb(Abramov) -0.4906631E-02 Hb(Abramov) 0.1748216E-02 Ex_ueg -0.1317676E-02 Ec_ueg -0.3086038E-03 Delta_ex -0.1545480E-02 Delta_ec 0.4842162E-03 Delta_et -0.3308474E-02 Pxc 0.4269797E+01 Qxc -0.3191716E+01 3,+1 85 3 +1 1.513253 -0.372693 0.973619 Rho 0.8639080E-02 |GRAD(Rho)| 0.4027239E-15 GRAD(Rho)x 0.3707027E-15 GRAD(Rho)y -0.7672245E-16 GRAD(Rho)z -0.1374035E-15 Laplacian 0.3350899E-01 (-1/4)Del**2(Rho)) -0.8377246E-02 Diamond 0.9168198E-03 Metallicity 0.7479932E+00 Ellipticity -0.1472833E+01 Gb(Abramov) 0.6629185E-02 Vb(Abramov) -0.4881123E-02 Hb(Abramov) 0.1748062E-02 Ex_ueg -0.1309207E-02 Ec_ueg -0.3067290E-03 Delta_ex -0.1539082E-02 Delta_ec 0.4831349E-03 Delta_et -0.3296639E-02 Pxc 0.4268286E+01 Qxc -0.3185615E+01 3,+1 86 3 -1 1.403562 -0.535707 3.382119 Rho 0.1102977E+00 |GRAD(Rho)| 0.2000959E-15 GRAD(Rho)x -0.1042952E-16 GRAD(Rho)y -0.4723733E-16 GRAD(Rho)z -0.1941603E-15 Laplacian 0.4269261E+00 (-1/4)Del**2(Rho)) -0.1067315E+00 Diamond 0.5964227E+00 Metallicity 0.4094535E+01 Ellipticity 0.2276706E-01 Gb(Abramov) 0.1439903E+00 Vb(Abramov) -0.1812492E+00 Hb(Abramov) -0.3725882E-01 Ex_ueg -0.3906673E-01 Ec_ueg -0.5952965E-02 Delta_ex -0.4255487E-01 Delta_ec 0.1161597E-01 Delta_et -0.1469956E+00 Pxc 0.6562567E+01 Qxc -0.3663481E+01 3,-1 87 3 -1 1.552105 -0.384310 -2.976428 Rho 0.1549005E+00 |GRAD(Rho)| 0.3129276E-14 GRAD(Rho)x 0.2391316E-14 GRAD(Rho)y 0.2018324E-14 GRAD(Rho)z -0.1850936E-16 Laplacian 0.6449758E+00 (-1/4)Del**2(Rho)) -0.1612439E+00 Diamond 0.1331962E+01 Metallicity 0.4773363E+01 Ellipticity 0.3047311E-01 Gb(Abramov) 0.2357753E+00 Vb(Abramov) -0.3103066E+00 Hb(Abramov) -0.7453134E-01 Ex_ueg -0.6144061E-01 Ec_ueg -0.8757952E-02 Delta_ex -0.6956179E-01 Delta_ec 0.1578162E-01 Delta_et -0.2099147E+00 Pxc 0.7015409E+01 Qxc -0.4407771E+01 3,-1 88 3 +1 0.655400 -0.666450 -1.582668 Rho 0.8626432E-02 |GRAD(Rho)| 0.7927027E-17 GRAD(Rho)x -0.7530652E-18 GRAD(Rho)y 0.6727751E-17 GRAD(Rho)z 0.4124078E-17 Laplacian 0.3347274E-01 (-1/4)Del**2(Rho)) -0.8368186E-02 Diamond 0.9144099E-03 Metallicity 0.7469769E+00 Ellipticity -0.1472231E+01 Gb(Abramov) 0.6620597E-02 Vb(Abramov) -0.4873009E-02 Hb(Abramov) 0.1747588E-02 Ex_ueg -0.1306652E-02 Ec_ueg -0.3061629E-03 Delta_ex -0.1537032E-02 Delta_ec 0.4829392E-03 Delta_et -0.3293796E-02 Pxc 0.4267833E+01 Qxc -0.3182661E+01 3,+1 89 3 +3 1.344268 -1.343775 -1.345173 Rho 0.4620867E-02 |GRAD(Rho)| 0.8818517E-17 GRAD(Rho)x -0.5542507E-17 GRAD(Rho)y -0.5340283E-18 GRAD(Rho)z 0.6838251E-17 Laplacian 0.1887898E-01 (-1/4)Del**2(Rho)) -0.4719746E-02 Diamond 0.1705025E-03 Metallicity 0.4679223E+00 Ellipticity -0.3212664E+00 Gb(Abramov) 0.3514576E-02 Vb(Abramov) -0.2309407E-02 Hb(Abramov) 0.1205170E-02 Ex_ueg -0.5684380E-03 Ec_ueg -0.1306338E-03 Delta_ex -0.6919654E-03 Delta_ec 0.1792128E-03 Delta_et -0.1119705E-02 Pxc 0.4351384E+01 Qxc -0.3861138E+01 3,+3 90 3 +1 2.016461 -2.017716 1.013880 Rho 0.1160424E-01 |GRAD(Rho)| 0.1210688E-12 GRAD(Rho)x 0.5921457E-13 GRAD(Rho)y 0.8204514E-13 GRAD(Rho)z 0.6648224E-13 Laplacian 0.5754072E-01 (-1/4)Del**2(Rho)) -0.1438518E-01 Diamond 0.2208069E-02 Metallicity 0.7123041E+00 Ellipticity -0.1243284E+01 Gb(Abramov) 0.1129789E-01 Vb(Abramov) -0.8210601E-02 Hb(Abramov) 0.3087289E-02 Ex_ueg -0.1940322E-02 Ec_ueg -0.4413301E-03 Delta_ex -0.2805321E-02 Delta_ec 0.7501248E-03 Delta_et -0.5576126E-02 Pxc 0.4396532E+01 Qxc -0.3739806E+01 3,+1 91 3 -1 1.765851 -1.995386 3.664055 Rho 0.2393290E+00 |GRAD(Rho)| 0.1704431E-14 GRAD(Rho)x 0.4346024E-15 GRAD(Rho)y -0.1644518E-14 GRAD(Rho)z -0.1084744E-15 Laplacian 0.8602110E+00 (-1/4)Del**2(Rho)) -0.2150528E+00 Diamond 0.3042223E+01 Metallicity 0.7390386E+01 Ellipticity 0.2416084E-02 Gb(Abramov) 0.4082556E+00 Vb(Abramov) -0.6014585E+00 Hb(Abramov) -0.1932029E+00 Ex_ueg -0.1097435E+00 Ec_ueg -0.1439274E-01 Delta_ex -0.1039092E+00 Delta_ec 0.1911526E-01 Delta_et -0.2651797E+00 Pxc 0.7624920E+01 Qxc -0.5435928E+01 3,-1 92 3 -1 1.107348 -2.198829 2.315858 Rho 0.1547560E+00 |GRAD(Rho)| 0.5761740E-13 GRAD(Rho)x 0.8489893E-14 GRAD(Rho)y 0.3307902E-13 GRAD(Rho)z 0.4640544E-13 Laplacian 0.6440932E+00 (-1/4)Del**2(Rho)) -0.1610233E+00 Diamond 0.1328125E+01 Metallicity 0.4772475E+01 Ellipticity 0.3075732E-01 Gb(Abramov) 0.2354288E+00 Vb(Abramov) -0.3098343E+00 Hb(Abramov) -0.7440552E-01 Ex_ueg -0.6136420E-01 Ec_ueg -0.8748659E-02 Delta_ex -0.6944550E-01 Delta_ec 0.1575483E-01 Delta_et -0.2095115E+00 Pxc 0.7014127E+01 Qxc -0.4407887E+01 3,-1 93 3 +1 1.852412 -1.512641 -1.675060 Rho 0.5306608E-02 |GRAD(Rho)| 0.6468765E-17 GRAD(Rho)x 0.2089630E-17 GRAD(Rho)y 0.5054246E-17 GRAD(Rho)z -0.3454412E-17 Laplacian 0.2190938E-01 (-1/4)Del**2(Rho)) -0.5477344E-02 Diamond 0.5377198E-03 Metallicity 0.5077830E+00 Ellipticity -0.2772319E+01 Gb(Abramov) 0.4115113E-02 Vb(Abramov) -0.2752882E-02 Hb(Abramov) 0.1362231E-02 Ex_ueg -0.6836089E-03 Ec_ueg -0.1601312E-03 Delta_ex -0.1088420E-02 Delta_ec 0.6657544E-03 Delta_et -0.3690465E-02 Pxc 0.4269056E+01 Qxc -0.1634866E+01 3,+1 94 3 -1 1.680901 -1.682440 -1.681178 Rho 0.5343647E-02 |GRAD(Rho)| 0.1144775E-16 GRAD(Rho)x 0.6553494E-17 GRAD(Rho)y -0.3419472E-17 GRAD(Rho)z 0.8741274E-17 Laplacian 0.2152759E-01 (-1/4)Del**2(Rho)) -0.5381898E-02 Diamond 0.6386908E-03 Metallicity 0.5228141E+00 Ellipticity 0.3020190E+01 Gb(Abramov) 0.4056887E-02 Vb(Abramov) -0.2731877E-02 Hb(Abramov) 0.1325011E-02 Ex_ueg -0.6899782E-03 Ec_ueg -0.1617312E-03 Delta_ex -0.1160469E-02 Delta_ec 0.8140336E-03 Delta_et -0.4455350E-02 Pxc 0.4266204E+01 Qxc -0.1425579E+01 3,-1 95 3 -1 3.706176 0.232783 0.142041 Rho 0.1544947E+00 |GRAD(Rho)| 0.4699645E-14 GRAD(Rho)x -0.4426933E-16 GRAD(Rho)y -0.4697170E-14 GRAD(Rho)z 0.1459285E-15 Laplacian 0.5973866E+00 (-1/4)Del**2(Rho)) -0.1493467E+00 Diamond 0.1245736E+01 Metallicity 0.5131135E+01 Ellipticity 0.7047012E-01 Gb(Abramov) 0.2272841E+00 Vb(Abramov) -0.3052215E+00 Hb(Abramov) -0.7793742E-01 Ex_ueg -0.6122606E-01 Ec_ueg -0.8731855E-02 Delta_ex -0.6453986E-01 Delta_ec 0.1489936E-01 Delta_et -0.1987885E+00 Pxc 0.7011805E+01 Qxc -0.4331720E+01 3,-1 96 3 +3 1.289327 -1.290192 0.650460 Rho 0.5028422E-02 |GRAD(Rho)| 0.4567196E-17 GRAD(Rho)x 0.1393892E-17 GRAD(Rho)y -0.3561112E-18 GRAD(Rho)z 0.4334689E-17 Laplacian 0.1953206E-01 (-1/4)Del**2(Rho)) -0.4883016E-02 Diamond 0.1380757E-03 Metallicity 0.5206963E+00 Ellipticity -0.1246803E-01 Gb(Abramov) 0.3679105E-02 Vb(Abramov) -0.2475195E-02 Hb(Abramov) 0.1203911E-02 Ex_ueg -0.6362493E-03 Ec_ueg -0.1481361E-03 Delta_ex -0.6764476E-03 Delta_ec 0.8704989E-04 Delta_et -0.6868962E-03 Pxc 0.4295032E+01 Qxc -0.7770803E+01 3,+3 97 3 -1 2.061096 -1.219211 2.357957 Rho 0.1066495E+00 |GRAD(Rho)| 0.3696740E-14 GRAD(Rho)x -0.2376388E-14 GRAD(Rho)y -0.1305656E-14 GRAD(Rho)z 0.2512754E-14 Laplacian 0.4400167E+00 (-1/4)Del**2(Rho)) -0.1100042E+00 Diamond 0.5894206E+00 Metallicity 0.3756145E+01 Ellipticity 0.1159692E-01 Gb(Abramov) 0.1422014E+00 Vb(Abramov) -0.1743986E+00 Hb(Abramov) -0.3219722E-01 Ex_ueg -0.3735342E-01 Ec_ueg -0.5729589E-02 Delta_ex -0.4349977E-01 Delta_ec 0.1203892E-01 Delta_et -0.1513556E+00 Pxc 0.6519390E+01 Qxc -0.3613260E+01 3,-1 98 3 -1 -3.332847 1.164218 -1.157097 Rho 0.1531705E+00 |GRAD(Rho)| 0.7804202E-15 GRAD(Rho)x -0.4444111E-15 GRAD(Rho)y 0.3599687E-15 GRAD(Rho)z -0.5310151E-15 Laplacian 0.5924788E+00 (-1/4)Del**2(Rho)) -0.1481197E+00 Diamond 0.1222875E+01 Metallicity 0.5099947E+01 Ellipticity 0.6969800E-01 Gb(Abramov) 0.2246469E+00 Vb(Abramov) -0.3011741E+00 Hb(Abramov) -0.7652719E-01 Ex_ueg -0.6052739E-01 Ec_ueg -0.8646780E-02 Delta_ex -0.6387440E-01 Delta_ec 0.1481037E-01 Delta_et -0.1973797E+00 Pxc 0.6999991E+01 Qxc -0.4312817E+01 3,-1 99 3 -1 -3.168455 0.754893 0.796037 Rho 0.1082639E+00 |GRAD(Rho)| 0.1396564E-12 GRAD(Rho)x 0.1694313E-13 GRAD(Rho)y 0.9300692E-13 GRAD(Rho)z 0.1027937E-12 Laplacian 0.4472135E+00 (-1/4)Del**2(Rho)) -0.1118034E+00 Diamond 0.6100923E+00 Metallicity 0.3789402E+01 Ellipticity 0.1136336E-01 Gb(Abramov) 0.1451469E+00 Vb(Abramov) -0.1784904E+00 Hb(Abramov) -0.3334353E-01 Ex_ueg -0.3810919E-01 Ec_ueg -0.5828309E-02 Delta_ex -0.4436923E-01 Delta_ec 0.1219684E-01 Delta_et -0.1537794E+00 Pxc 0.6538635E+01 Qxc -0.3637764E+01 3,-1 100 3 -1 -3.159407 1.919782 0.022992 Rho 0.1094759E+00 |GRAD(Rho)| 0.4922658E-15 GRAD(Rho)x 0.2017328E-15 GRAD(Rho)y 0.4295541E-15 GRAD(Rho)z 0.1308158E-15 Laplacian 0.4242724E+00 (-1/4)Del**2(Rho)) -0.1060681E+00 Diamond 0.5874357E+00 Metallicity 0.4069106E+01 Ellipticity 0.2243334E-01 Gb(Abramov) 0.1426458E+00 Vb(Abramov) -0.1792235E+00 Hb(Abramov) -0.3657769E-01 Ex_ueg -0.3867909E-01 Ec_ueg -0.5902557E-02 Delta_ex -0.4221633E-01 Delta_ec 0.1156435E-01 Delta_et -0.1461404E+00 Pxc 0.6552938E+01 Qxc -0.3650558E+01 3,-1 101 3 +1 -0.583828 -2.155804 1.885148 Rho 0.5351213E-02 |GRAD(Rho)| 0.6651231E-17 GRAD(Rho)x -0.6012240E-17 GRAD(Rho)y 0.1620798E-17 GRAD(Rho)z 0.2337705E-17 Laplacian 0.2212941E-01 (-1/4)Del**2(Rho)) -0.5532352E-02 Diamond 0.5451463E-03 Metallicity 0.5097968E+00 Ellipticity -0.2687179E+01 Gb(Abramov) 0.4158297E-02 Vb(Abramov) -0.2784242E-02 Hb(Abramov) 0.1374055E-02 Ex_ueg -0.6912811E-03 Ec_ueg -0.1620581E-03 Delta_ex -0.1097669E-02 Delta_ec 0.6661957E-03 Delta_et -0.3704754E-02 Pxc 0.4265638E+01 Qxc -0.1647667E+01 3,+1 102 3 +1 -1.389870 -2.187761 -1.068392 Rho 0.2689234E-01 |GRAD(Rho)| 0.1287740E-10 GRAD(Rho)x -0.4161249E-11 GRAD(Rho)y -0.7402869E-12 GRAD(Rho)z 0.1216402E-10 Laplacian 0.1074710E+00 (-1/4)Del**2(Rho)) -0.2686775E-01 Diamond 0.1572413E-01 Metallicity 0.1547758E+01 Ellipticity -0.3918512E+01 Gb(Abramov) 0.2484262E-01 Vb(Abramov) -0.2281750E-01 Hb(Abramov) 0.2025121E-02 Ex_ueg -0.5950543E-02 Ec_ueg -0.1184455E-02 Delta_ex -0.6833944E-02 Delta_ec 0.1855796E-02 Delta_et -0.1666894E-01 Pxc 0.5023867E+01 Qxc -0.3682487E+01 3,+1 103 3 -1 -2.279652 -2.736600 -0.985953 Rho 0.1104100E+00 |GRAD(Rho)| 0.1367089E-14 GRAD(Rho)x -0.6611965E-15 GRAD(Rho)y 0.1270270E-15 GRAD(Rho)z 0.1189797E-14 Laplacian 0.4273784E+00 (-1/4)Del**2(Rho)) -0.1068446E+00 Diamond 0.5978401E+00 Metallicity 0.4097144E+01 Ellipticity 0.2336527E-01 Gb(Abramov) 0.1441893E+00 Vb(Abramov) -0.1815341E+00 Hb(Abramov) -0.3734474E-01 Ex_ueg -0.3911976E-01 Ec_ueg -0.5959855E-02 Delta_ex -0.4261099E-01 Delta_ec 0.1162701E-01 Delta_et -0.1471653E+00 Pxc 0.6563878E+01 Qxc -0.3664827E+01 3,-1 104 3 +1 -2.034427 1.273040 -1.447587 Rho 0.2693638E-01 |GRAD(Rho)| 0.5472661E-16 GRAD(Rho)x -0.4297885E-16 GRAD(Rho)y 0.6800623E-17 GRAD(Rho)z -0.3318993E-16 Laplacian 0.1075404E+00 (-1/4)Del**2(Rho)) -0.2688509E-01 Diamond 0.1565200E-01 Metallicity 0.1550983E+01 Ellipticity -0.3778902E+01 Gb(Abramov) 0.2487312E-01 Vb(Abramov) -0.2286114E-01 Hb(Abramov) 0.2011978E-02 Ex_ueg -0.5963539E-02 Ec_ueg -0.1186694E-02 Delta_ex -0.6829773E-02 Delta_ec 0.1836320E-02 Delta_et -0.1650417E-01 Pxc 0.5025340E+01 Qxc -0.3719272E+01 3,+1 105 3 -1 -2.267568 1.015149 -0.371496 Rho 0.4447270E-01 |GRAD(Rho)| 0.1609068E-14 GRAD(Rho)x -0.1590984E-14 GRAD(Rho)y -0.9912739E-16 GRAD(Rho)z 0.2191877E-15 Laplacian 0.1858088E+00 (-1/4)Del**2(Rho)) -0.4645220E-01 Diamond 0.8214129E-01 Metallicity 0.2070313E+01 Ellipticity 0.1623798E-01 Gb(Abramov) 0.4699657E-01 Vb(Abramov) -0.4754093E-01 Hb(Abramov) -0.5443631E-03 Ex_ueg -0.1163705E-01 Ec_ueg -0.2111703E-02 Delta_ex -0.1494327E-01 Delta_ec 0.5704573E-02 Delta_et -0.5835646E-01 Pxc 0.5510743E+01 Qxc -0.2619525E+01 3,-1 106 3 -1 -1.684020 1.685076 1.673922 Rho 0.5440586E-02 |GRAD(Rho)| 0.4814507E-16 GRAD(Rho)x 0.1361436E-16 GRAD(Rho)y -0.1766487E-17 GRAD(Rho)z -0.4614625E-16 Laplacian 0.2187663E-01 (-1/4)Del**2(Rho)) -0.5469158E-02 Diamond 0.6662545E-03 Metallicity 0.5301216E+00 Ellipticity 0.2642197E+01 Gb(Abramov) 0.4129325E-02 Vb(Abramov) -0.2789492E-02 Hb(Abramov) 0.1339833E-02 Ex_ueg -0.7067177E-03 Ec_ueg -0.1659220E-03 Delta_ex -0.1184271E-02 Delta_ec 0.8292205E-03 Delta_et -0.4562772E-02 Pxc 0.4259337E+01 Qxc -0.1428173E+01 3,-1 107 3 -1 -1.254526 1.368220 -1.691967 Rho 0.4434757E-01 |GRAD(Rho)| 0.3512617E-15 GRAD(Rho)x -0.3201714E-15 GRAD(Rho)y 0.3850336E-16 GRAD(Rho)z -0.1392573E-15 Laplacian 0.1852436E+00 (-1/4)Del**2(Rho)) -0.4631089E-01 Diamond 0.8156906E-01 Metallicity 0.2066902E+01 Ellipticity 0.1482143E-01 Gb(Abramov) 0.4682727E-01 Vb(Abramov) -0.4734365E-01 Hb(Abramov) -0.5163791E-03 Ex_ueg -0.1159342E-01 Ec_ueg -0.2104897E-02 Delta_ex -0.1488693E-01 Delta_ec 0.5686480E-02 Delta_et -0.5812735E-01 Pxc 0.5507832E+01 Qxc -0.2617952E+01 3,-1 108 3 +1 -0.904752 -0.231499 -1.580635 Rho 0.8658983E-02 |GRAD(Rho)| 0.5037048E-14 GRAD(Rho)x -0.6413731E-15 GRAD(Rho)y 0.4491233E-14 GRAD(Rho)z 0.2188451E-14 Laplacian 0.3357553E-01 (-1/4)Del**2(Rho)) -0.8393882E-02 Diamond 0.9210265E-03 Metallicity 0.7493794E+00 Ellipticity -0.1473532E+01 Gb(Abramov) 0.6644289E-02 Vb(Abramov) -0.4894695E-02 Hb(Abramov) 0.1749594E-02 Ex_ueg -0.1313230E-02 Ec_ueg -0.3076200E-03 Delta_ex -0.1542810E-02 Delta_ec 0.4836966E-03 Delta_et -0.3302752E-02 Pxc 0.4269002E+01 Qxc -0.3189624E+01 3,+1 109 3 -1 -2.361522 1.494999 -2.413820 Rho 0.1097038E+00 |GRAD(Rho)| 0.5938553E-15 GRAD(Rho)x 0.4103637E-15 GRAD(Rho)y 0.1953106E-15 GRAD(Rho)z -0.3822558E-15 Laplacian 0.4241772E+00 (-1/4)Del**2(Rho)) -0.1060443E+00 Diamond 0.5887472E+00 Metallicity 0.4084150E+01 Ellipticity 0.2258492E-01 Gb(Abramov) 0.1428797E+00 Vb(Abramov) -0.1797151E+00 Hb(Abramov) -0.3683538E-01 Ex_ueg -0.3878649E-01 Ec_ueg -0.5916530E-02 Delta_ex -0.4222711E-01 Delta_ec 0.1155550E-01 Delta_et -0.1460841E+00 Pxc 0.6555614E+01 Qxc -0.3654287E+01 3,-1 110 3 -1 -1.697322 1.925666 -3.722129 Rho 0.2392733E+00 |GRAD(Rho)| 0.2655828E-13 GRAD(Rho)x 0.2471127E-13 GRAD(Rho)y -0.5243473E-14 GRAD(Rho)z 0.8197653E-14 Laplacian 0.8603971E+00 (-1/4)Del**2(Rho)) -0.2150993E+00 Diamond 0.3042103E+01 Metallicity 0.7385921E+01 Ellipticity 0.2422823E-02 Gb(Abramov) 0.4081839E+00 Vb(Abramov) -0.6012685E+00 Hb(Abramov) -0.1930846E+00 Ex_ueg -0.1097095E+00 Ec_ueg -0.1438889E-01 Delta_ex -0.1039257E+00 Delta_ec 0.1912142E-01 Delta_et -0.2652659E+00 Pxc 0.7624593E+01 Qxc -0.5435044E+01 3,-1 111 3 +1 -0.490755 -2.754028 -0.178329 Rho 0.2684638E-01 |GRAD(Rho)| 0.3610527E-16 GRAD(Rho)x -0.8521778E-17 GRAD(Rho)y -0.2164333E-16 GRAD(Rho)z 0.2761406E-16 Laplacian 0.1070844E+00 (-1/4)Del**2(Rho)) -0.2677110E-01 Diamond 0.1547876E-01 Metallicity 0.1548923E+01 Ellipticity -0.3722934E+01 Gb(Abramov) 0.2475847E-01 Vb(Abramov) -0.2274583E-01 Hb(Abramov) 0.2012637E-02 Ex_ueg -0.5936987E-02 Ec_ueg -0.1182119E-02 Delta_ex -0.6791239E-02 Delta_ec 0.1822325E-02 Delta_et -0.1636623E-01 Pxc 0.5022328E+01 Qxc -0.3726688E+01 3,+1 112 3 +1 -0.647471 -2.438930 1.477089 Rho 0.5345402E-02 |GRAD(Rho)| 0.3847029E-14 GRAD(Rho)x -0.1160434E-14 GRAD(Rho)y -0.2201954E-14 GRAD(Rho)z -0.2933330E-14 Laplacian 0.2211566E-01 (-1/4)Del**2(Rho)) -0.5528914E-02 Diamond 0.5413430E-03 Metallicity 0.5091910E+00 Ellipticity -0.2604794E+01 Gb(Abramov) 0.4155155E-02 Vb(Abramov) -0.2781396E-02 Hb(Abramov) 0.1373759E-02 Ex_ueg -0.6902805E-03 Ec_ueg -0.1618070E-03 Delta_ex -0.1094484E-02 Delta_ec 0.6617341E-03 Delta_et -0.3680448E-02 Pxc 0.4266072E+01 Qxc -0.1653963E+01 3,+1 113 3 -1 -0.816749 -2.432679 -3.725295 Rho 0.2392010E+00 |GRAD(Rho)| 0.7126901E-15 GRAD(Rho)x -0.4676977E-16 GRAD(Rho)y -0.1372058E-15 GRAD(Rho)z -0.6977925E-15 Laplacian 0.8602941E+00 (-1/4)Del**2(Rho)) -0.2150735E+00 Diamond 0.3039927E+01 Metallicity 0.7383083E+01 Ellipticity 0.2518731E-02 Gb(Abramov) 0.4080333E+00 Vb(Abramov) -0.6009931E+00 Hb(Abramov) -0.1929598E+00 Ex_ueg -0.1096652E+00 Ec_ueg -0.1438390E-01 Delta_ex -0.1039013E+00 Delta_ec 0.1911411E-01 Delta_et -0.2651321E+00 Pxc 0.7624167E+01 Qxc -0.5435845E+01 3,-1 114 3 -1 -1.481882 -2.452523 -2.368237 Rho 0.1529686E+00 |GRAD(Rho)| 0.4927687E-15 GRAD(Rho)x 0.4748941E-15 GRAD(Rho)y -0.8673617E-18 GRAD(Rho)z -0.1315137E-15 Laplacian 0.5918636E+00 (-1/4)Del**2(Rho)) -0.1479659E+00 Diamond 0.1220021E+01 Metallicity 0.5094037E+01 Ellipticity 0.6913764E-01 Gb(Abramov) 0.2242679E+00 Vb(Abramov) -0.3005699E+00 Hb(Abramov) -0.7630200E-01 Ex_ueg -0.6042104E-01 Ec_ueg -0.8633819E-02 Delta_ex -0.6379069E-01 Delta_ec 0.1480595E-01 Delta_et -0.1973008E+00 Pxc 0.6998183E+01 Qxc -0.4308451E+01 3,-1 115 3 -1 -0.556033 -1.769545 -1.695061 Rho 0.4427571E-01 |GRAD(Rho)| 0.4331551E-13 GRAD(Rho)x -0.6028730E-14 GRAD(Rho)y -0.1031841E-13 GRAD(Rho)z -0.4163434E-13 Laplacian 0.1848962E+00 (-1/4)Del**2(Rho)) -0.4622404E-01 Diamond 0.8123920E-01 Metallicity 0.2065196E+01 Ellipticity 0.1468667E-01 Gb(Abramov) 0.4672631E-01 Vb(Abramov) -0.4722858E-01 Hb(Abramov) -0.5022685E-03 Ex_ueg -0.1156838E-01 Ec_ueg -0.2100989E-02 Delta_ex -0.1485315E-01 Delta_ec 0.5676090E-02 Delta_et -0.5799599E-01 Pxc 0.5506158E+01 Qxc -0.2616793E+01 3,-1 116 3 -1 -1.394288 -2.075358 -0.247833 Rho 0.4441981E-01 |GRAD(Rho)| 0.1508609E-15 GRAD(Rho)x 0.1307294E-15 GRAD(Rho)y 0.6679405E-16 GRAD(Rho)z -0.3474741E-16 Laplacian 0.1855865E+00 (-1/4)Del**2(Rho)) -0.4639662E-01 Diamond 0.8190147E-01 Metallicity 0.2068687E+01 Ellipticity 0.1524354E-01 Gb(Abramov) 0.4692776E-01 Vb(Abramov) -0.4745889E-01 Hb(Abramov) -0.5311381E-03 Ex_ueg -0.1161861E-01 Ec_ueg -0.2108826E-02 Delta_ex -0.1492053E-01 Delta_ec 0.5696985E-02 Delta_et -0.5826013E-01 Pxc 0.5509513E+01 Qxc -0.2619023E+01 3,-1 117 3 -1 1.719703 -2.887248 -0.293176 Rho 0.1554028E+00 |GRAD(Rho)| 0.1637912E-15 GRAD(Rho)x 0.2222614E-17 GRAD(Rho)y 0.1614106E-15 GRAD(Rho)z -0.2773525E-16 Laplacian 0.6472329E+00 (-1/4)Del**2(Rho)) -0.1618082E+00 Diamond 0.1340810E+01 Metallicity 0.4782452E+01 Ellipticity 0.3079684E-01 Gb(Abramov) 0.2368455E+00 Vb(Abramov) -0.3118828E+00 Hb(Abramov) -0.7503727E-01 Ex_ueg -0.6170639E-01 Ec_ueg -0.8790263E-02 Delta_ex -0.6985167E-01 Delta_ec 0.1580651E-01 Delta_et -0.2102882E+00 Pxc 0.7019857E+01 Qxc -0.4419171E+01 3,-1 118 3 -1 0.932130 -3.124109 0.799992 Rho 0.1070667E+00 |GRAD(Rho)| 0.4853884E-15 GRAD(Rho)x -0.7870101E-17 GRAD(Rho)y -0.1580699E-15 GRAD(Rho)z -0.4588615E-15 Laplacian 0.4418711E+00 (-1/4)Del**2(Rho)) -0.1104678E+00 Diamond 0.5945594E+00 Metallicity 0.3764798E+01 Ellipticity 0.1178899E-01 Gb(Abramov) 0.1429600E+00 Vb(Abramov) -0.1754522E+00 Hb(Abramov) -0.3249221E-01 Ex_ueg -0.3754836E-01 Ec_ueg -0.5755081E-02 Delta_ex -0.4372110E-01 Delta_ec 0.1207523E-01 Delta_et -0.1519191E+00 Pxc 0.6524385E+01 Qxc -0.3620726E+01 3,-1 119 3 -1 0.637474 -0.751079 2.317229 Rho 0.4405307E-01 |GRAD(Rho)| 0.5901937E-13 GRAD(Rho)x -0.2719127E-13 GRAD(Rho)y -0.2939815E-13 GRAD(Rho)z -0.4335516E-13 Laplacian 0.1840754E+00 (-1/4)Del**2(Rho)) -0.4601886E-01 Diamond 0.8034341E-01 Metallicity 0.2057047E+01 Ellipticity 0.1482628E-01 Gb(Abramov) 0.4645640E-01 Vb(Abramov) -0.4689395E-01 Hb(Abramov) -0.4375430E-03 Ex_ueg -0.1149088E-01 Ec_ueg -0.2088887E-02 Delta_ex -0.1476962E-01 Delta_ec 0.5652639E-02 Delta_et -0.5767868E-01 Pxc 0.5500958E+01 Qxc -0.2612871E+01 3,-1 120 3 -1 1.637363 2.939137 -0.303236 Rho 0.1566274E+00 |GRAD(Rho)| 0.3929979E-14 GRAD(Rho)x -0.3876294E-14 GRAD(Rho)y -0.6415360E-15 GRAD(Rho)z -0.8669213E-16 Laplacian 0.6524861E+00 (-1/4)Del**2(Rho)) -0.1631215E+00 Diamond 0.1365360E+01 Metallicity 0.4806417E+01 Ellipticity 0.3119250E-01 Gb(Abramov) 0.2394193E+00 Vb(Abramov) -0.3157172E+00 Hb(Abramov) -0.7629782E-01 Ex_ueg -0.6235558E-01 Ec_ueg -0.8869103E-02 Delta_ex -0.7056423E-01 Delta_ec 0.1591747E-01 Delta_et -0.2120080E+00 Pxc 0.7030652E+01 Qxc -0.4433131E+01 3,-1 121 3 +1 2.431253 0.656337 1.479432 Rho 0.5363715E-02 |GRAD(Rho)| 0.2580621E-14 GRAD(Rho)x 0.1670641E-14 GRAD(Rho)y 0.2721951E-16 GRAD(Rho)z -0.1966678E-14 Laplacian 0.2215347E-01 (-1/4)Del**2(Rho)) -0.5538367E-02 Diamond 0.5480467E-03 Metallicity 0.5112275E+00 Ellipticity -0.2716660E+01 Gb(Abramov) 0.4164139E-02 Vb(Abramov) -0.2789911E-02 Hb(Abramov) 0.1374228E-02 Ex_ueg -0.6934353E-03 Ec_ueg -0.1625983E-03 Delta_ex -0.1099871E-02 Delta_ec 0.6678133E-03 Delta_et -0.3715963E-02 Pxc 0.4264713E+01 Qxc -0.1646973E+01 3,+1 122 3 +1 1.128712 1.078968 0.959479 Rho 0.8716989E-02 |GRAD(Rho)| 0.8129819E-15 GRAD(Rho)x -0.2680532E-15 GRAD(Rho)y -0.5365242E-16 GRAD(Rho)z 0.7656425E-15 Laplacian 0.3382240E-01 (-1/4)Del**2(Rho)) -0.8455601E-02 Diamond 0.9367114E-03 Metallicity 0.7522339E+00 Ellipticity -0.1476235E+01 Gb(Abramov) 0.6697165E-02 Vb(Abramov) -0.4938730E-02 Hb(Abramov) 0.1758435E-02 Ex_ueg -0.1324973E-02 Ec_ueg -0.3102176E-03 Delta_ex -0.1556967E-02 Delta_ec 0.4875956E-03 Delta_et -0.3334856E-02 Pxc 0.4271109E+01 Qxc -0.3193152E+01 3,+1 123 3 -1 2.235577 2.371126 0.788399 Rho 0.1063165E+00 |GRAD(Rho)| 0.1994455E-13 GRAD(Rho)x 0.7136264E-14 GRAD(Rho)y 0.5282983E-14 GRAD(Rho)z -0.1785914E-13 Laplacian 0.4378832E+00 (-1/4)Del**2(Rho)) -0.1094708E+00 Diamond 0.5844688E+00 Metallicity 0.3754820E+01 Ellipticity 0.1250957E-01 Gb(Abramov) 0.1414877E+00 Vb(Abramov) -0.1735047E+00 Hb(Abramov) -0.3201693E-01 Ex_ueg -0.3719796E-01 Ec_ueg -0.5709245E-02 Delta_ex -0.4325882E-01 Delta_ec 0.1199217E-01 Delta_et -0.1506826E+00 Pxc 0.6515391E+01 Qxc -0.3607255E+01 3,-1 124 3 -1 3.235710 1.781518 0.016275 Rho 0.1084177E+00 |GRAD(Rho)| 0.3686288E-15 GRAD(Rho)x -0.1843550E-15 GRAD(Rho)y 0.3142492E-15 GRAD(Rho)z -0.5610577E-16 Laplacian 0.4191013E+00 (-1/4)Del**2(Rho)) -0.1047753E+00 Diamond 0.5735343E+00 Metallicity 0.4053167E+01 Ellipticity 0.2160361E-01 Gb(Abramov) 0.1406289E+00 Vb(Abramov) -0.1764824E+00 Hb(Abramov) -0.3585354E-01 Ex_ueg -0.3818141E-01 Ec_ueg -0.5837728E-02 Delta_ex -0.4160655E-01 Delta_ec 0.1144878E-01 Delta_et -0.1444176E+00 Pxc 0.6540457E+01 Qxc -0.3634147E+01 3,-1 125 3 -1 -3.360442 -0.044725 -0.296332 Rho 0.1549524E+00 |GRAD(Rho)| 0.2075385E-15 GRAD(Rho)x -0.2277841E-16 GRAD(Rho)y -0.2061068E-15 GRAD(Rho)z -0.8565197E-17 Laplacian 0.6458355E+00 (-1/4)Del**2(Rho)) -0.1614589E+00 Diamond 0.1334434E+01 Metallicity 0.4769673E+01 Ellipticity 0.2998018E-01 Gb(Abramov) 0.2359903E+00 Vb(Abramov) -0.3105217E+00 Hb(Abramov) -0.7453139E-01 Ex_ueg -0.6146808E-01 Ec_ueg -0.8761292E-02 Delta_ex -0.6966183E-01 Delta_ec 0.1580403E-01 Delta_et -0.2102284E+00 Pxc 0.7015869E+01 Qxc -0.4407852E+01 3,-1 126 3 -1 -0.962894 -0.182266 2.311274 Rho 0.4479896E-01 |GRAD(Rho)| 0.4547205E-14 GRAD(Rho)x -0.1377290E-14 GRAD(Rho)y -0.3307633E-14 GRAD(Rho)z -0.2799948E-14 Laplacian 0.1872167E+00 (-1/4)Del**2(Rho)) -0.4680416E-01 Diamond 0.8357007E-01 Metallicity 0.2079929E+01 Ellipticity 0.1595338E-01 Gb(Abramov) 0.4742767E-01 Vb(Abramov) -0.4805117E-01 Hb(Abramov) -0.6235024E-03 Ex_ueg -0.1175102E-01 Ec_ueg -0.2129463E-02 Delta_ex -0.1508285E-01 Delta_ec 0.5745743E-02 Delta_et -0.5889237E-01 Pxc 0.5518302E+01 Qxc -0.2625047E+01 3,-1 127 3 -1 -1.657719 -3.323468 0.138762 Rho 0.1536271E+00 |GRAD(Rho)| 0.5049896E-15 GRAD(Rho)x -0.3677072E-15 GRAD(Rho)y 0.1108190E-15 GRAD(Rho)z 0.3279102E-15 Laplacian 0.5948732E+00 (-1/4)Del**2(Rho)) -0.1487183E+00 Diamond 0.1232133E+01 Metallicity 0.5104680E+01 Ellipticity 0.6995664E-01 Gb(Abramov) 0.2256721E+00 Vb(Abramov) -0.3026259E+00 Hb(Abramov) -0.7695378E-01 Ex_ueg -0.6076808E-01 Ec_ueg -0.8676104E-02 Delta_ex -0.6417892E-01 Delta_ec 0.1485770E-01 Delta_et -0.1980855E+00 Pxc 0.7004075E+01 Qxc -0.4319573E+01 3,-1 128 3 +3 -0.491433 -1.837475 1.339680 Rho 0.4642092E-02 |GRAD(Rho)| 0.6424525E-17 GRAD(Rho)x 0.5415645E-17 GRAD(Rho)y -0.5844718E-18 GRAD(Rho)z -0.3406420E-17 Laplacian 0.1898592E-01 (-1/4)Del**2(Rho)) -0.4746480E-02 Diamond 0.1712464E-03 Metallicity 0.4688541E+00 Ellipticity -0.3229235E+00 Gb(Abramov) 0.3535221E-02 Vb(Abramov) -0.2323962E-02 Hb(Abramov) 0.1211259E-02 Ex_ueg -0.5719219E-03 Ec_ueg -0.1315432E-03 Delta_ex -0.6953734E-03 Delta_ec 0.1778634E-03 Delta_et -0.1115700E-02 Pxc 0.4347787E+01 Qxc -0.3909591E+01 3,+3 129 3 -1 -0.615546 -2.296361 1.688038 Rho 0.5391662E-02 |GRAD(Rho)| 0.1862579E-14 GRAD(Rho)x 0.1434825E-14 GRAD(Rho)y 0.5559552E-15 GRAD(Rho)z 0.1049472E-14 Laplacian 0.2171395E-01 (-1/4)Del**2(Rho)) -0.5428489E-02 Diamond 0.6541888E-03 Metallicity 0.5261126E+00 Ellipticity 0.2753463E+01 Gb(Abramov) 0.4094992E-02 Vb(Abramov) -0.2761495E-02 Hb(Abramov) 0.1333497E-02 Ex_ueg -0.6982570E-03 Ec_ueg -0.1638064E-03 Delta_ex -0.1174256E-02 Delta_ec 0.8243507E-03 Delta_et -0.4523058E-02 Pxc 0.4262697E+01 Qxc -0.1424462E+01 3,-1 130 3 -1 -1.105798 -1.150334 -2.973984 Rho 0.1553240E+00 |GRAD(Rho)| 0.2438486E-13 GRAD(Rho)x 0.6955591E-14 GRAD(Rho)y -0.2336813E-13 GRAD(Rho)z 0.4142245E-15 Laplacian 0.6469254E+00 (-1/4)Del**2(Rho)) -0.1617314E+00 Diamond 0.1340085E+01 Metallicity 0.4780680E+01 Ellipticity 0.3062575E-01 Gb(Abramov) 0.2366852E+00 Vb(Abramov) -0.3116391E+00 Hb(Abramov) -0.7495386E-01 Ex_ueg -0.6166466E-01 Ec_ueg -0.8785190E-02 Delta_ex -0.6981660E-01 Delta_ec 0.1581340E-01 Delta_et -0.2103973E+00 Pxc 0.7019160E+01 Qxc -0.4415028E+01 3,-1 131 3 -1 0.255810 -2.470929 -0.372288 Rho 0.4416481E-01 |GRAD(Rho)| 0.1892567E-15 GRAD(Rho)x 0.1052311E-15 GRAD(Rho)y -0.1488427E-15 GRAD(Rho)z 0.5089535E-16 Laplacian 0.1843770E+00 (-1/4)Del**2(Rho)) -0.4609426E-01 Diamond 0.8071085E-01 Metallicity 0.2062372E+01 Ellipticity 0.1536863E-01 Gb(Abramov) 0.4657342E-01 Vb(Abramov) -0.4705259E-01 Hb(Abramov) -0.4791634E-03 Ex_ueg -0.1152976E-01 Ec_ueg -0.2094960E-02 Delta_ex -0.1480099E-01 Delta_ec 0.5658015E-02 Delta_et -0.5777207E-01 Pxc 0.5503570E+01 Qxc -0.2615933E+01 3,-1 132 3 +1 2.118679 1.125749 -1.453895 Rho 0.2674612E-01 |GRAD(Rho)| 0.3064713E-16 GRAD(Rho)x 0.1827403E-16 GRAD(Rho)y -0.1487759E-16 GRAD(Rho)z -0.1959498E-16 Laplacian 0.1066369E+00 (-1/4)Del**2(Rho)) -0.2665923E-01 Diamond 0.1534125E-01 Metallicity 0.1545754E+01 Ellipticity -0.3716061E+01 Gb(Abramov) 0.2464092E-01 Vb(Abramov) -0.2262261E-01 Hb(Abramov) 0.2018308E-02 Ex_ueg -0.5907443E-02 Ec_ueg -0.1177024E-02 Delta_ex -0.6756712E-02 Delta_ec 0.1815846E-02 Delta_et -0.1629307E-01 Pxc 0.5018964E+01 Qxc -0.3720972E+01 3,+1 133 3 +1 0.380159 2.364070 -1.677917 Rho 0.5345391E-02 |GRAD(Rho)| 0.8421963E-17 GRAD(Rho)x -0.7471889E-17 GRAD(Rho)y 0.8754086E-18 GRAD(Rho)z -0.3786026E-17 Laplacian 0.2209450E-01 (-1/4)Del**2(Rho)) -0.5523625E-02 Diamond 0.5453083E-03 Metallicity 0.5096767E+00 Ellipticity -0.2719855E+01 Gb(Abramov) 0.4151627E-02 Vb(Abramov) -0.2779629E-02 Hb(Abramov) 0.1371998E-02 Ex_ueg -0.6902785E-03 Ec_ueg -0.1618065E-03 Delta_ex -0.1097246E-02 Delta_ec 0.6679026E-03 Delta_et -0.3711883E-02 Pxc 0.4266073E+01 Qxc -0.1642823E+01 3,+1 134 3 -1 1.303242 -4.329920 -0.092522 Rho 0.2391753E+00 |GRAD(Rho)| 0.3731976E-14 GRAD(Rho)x 0.1561468E-14 GRAD(Rho)y -0.2225650E-14 GRAD(Rho)z -0.2556549E-14 Laplacian 0.8599973E+00 (-1/4)Del**2(Rho)) -0.2149993E+00 Diamond 0.3038768E+01 Metallicity 0.7384308E+01 Ellipticity 0.2481914E-02 Gb(Abramov) 0.4079364E+00 Vb(Abramov) -0.6008735E+00 Hb(Abramov) -0.1929371E+00 Ex_ueg -0.1096495E+00 Ec_ueg -0.1438212E-01 Delta_ex -0.1038641E+00 Delta_ec 0.1911082E-01 Delta_et -0.2650972E+00 Pxc 0.7624016E+01 Qxc -0.5434832E+01 3,-1 135 3 +1 2.627953 0.960316 -0.181030 Rho 0.2684963E-01 |GRAD(Rho)| 0.1643462E-16 GRAD(Rho)x -0.4834383E-17 GRAD(Rho)y 0.1472329E-16 GRAD(Rho)z -0.5472679E-17 Laplacian 0.1070756E+00 (-1/4)Del**2(Rho)) -0.2676890E-01 Diamond 0.1542781E-01 Metallicity 0.1549363E+01 Ellipticity -0.3655189E+01 Gb(Abramov) 0.2475839E-01 Vb(Abramov) -0.2274788E-01 Hb(Abramov) 0.2010510E-02 Ex_ueg -0.5937944E-02 Ec_ueg -0.1182284E-02 Delta_ex -0.6785740E-02 Delta_ec 0.1812965E-02 Delta_et -0.1628428E-01 Pxc 0.5022436E+01 Qxc -0.3742898E+01 3,+1 136 3 -1 2.009339 1.460996 -0.378715 Rho 0.4422396E-01 |GRAD(Rho)| 0.6450661E-16 GRAD(Rho)x 0.4623699E-16 GRAD(Rho)y 0.3993591E-16 GRAD(Rho)z 0.2069704E-16 Laplacian 0.1844280E+00 (-1/4)Del**2(Rho)) -0.4610700E-01 Diamond 0.8089755E-01 Metallicity 0.2066407E+01 Ellipticity 0.1536398E-01 Gb(Abramov) 0.4661730E-01 Vb(Abramov) -0.4712760E-01 Hb(Abramov) -0.5103017E-03 Ex_ueg -0.1155035E-01 Ec_ueg -0.2098175E-02 Delta_ex -0.1481088E-01 Delta_ec 0.5661105E-02 Delta_et -0.5782464E-01 Pxc 0.5504951E+01 Qxc -0.2616252E+01 3,-1 137 3 +1 -2.135930 1.810895 -0.176012 Rho 0.2680306E-01 |GRAD(Rho)| 0.1479409E-14 GRAD(Rho)x -0.1403856E-14 GRAD(Rho)y -0.4619070E-15 GRAD(Rho)z 0.6692913E-16 Laplacian 0.1069184E+00 (-1/4)Del**2(Rho)) -0.2672960E-01 Diamond 0.1552913E-01 Metallicity 0.1547158E+01 Ellipticity -0.3866484E+01 Gb(Abramov) 0.2471222E-01 Vb(Abramov) -0.2269484E-01 Hb(Abramov) 0.2017381E-02 Ex_ueg -0.5924215E-02 Ec_ueg -0.1179917E-02 Delta_ex -0.6788533E-02 Delta_ec 0.1838711E-02 Delta_et -0.1650347E-01 Pxc 0.5020875E+01 Qxc -0.3692007E+01 3,+1 138 3 -1 -2.452018 0.136824 2.306792 Rho 0.1542299E+00 |GRAD(Rho)| 0.5488067E-15 GRAD(Rho)x 0.9996344E-16 GRAD(Rho)y 0.1822408E-15 GRAD(Rho)z -0.5079216E-15 Laplacian 0.6431069E+00 (-1/4)Del**2(Rho)) -0.1607767E+00 Diamond 0.1321208E+01 Metallicity 0.4752745E+01 Ellipticity 0.2961881E-01 Gb(Abramov) 0.2345396E+00 Vb(Abramov) -0.3083025E+00 Hb(Abramov) -0.7376287E-01 Ex_ueg -0.6108623E-01 Ec_ueg -0.8714839E-02 Delta_ex -0.6928566E-01 Delta_ec 0.1575338E-01 Delta_et -0.2094245E+00 Pxc 0.7009450E+01 Qxc -0.4398145E+01 3,-1 139 3 +3 -1.336316 1.338804 1.345092 Rho 0.4678547E-02 |GRAD(Rho)| 0.5542492E-14 GRAD(Rho)x 0.3981410E-14 GRAD(Rho)y -0.3788051E-14 GRAD(Rho)z 0.7199085E-15 Laplacian 0.1911234E-01 (-1/4)Del**2(Rho)) -0.4778084E-02 Diamond 0.1731884E-03 Metallicity 0.4718650E+00 Ellipticity -0.3260135E+00 Gb(Abramov) 0.3561158E-02 Vb(Abramov) -0.2344231E-02 Hb(Abramov) 0.1216926E-02 Ex_ueg -0.5779183E-03 Ec_ueg -0.1331057E-03 Delta_ex -0.7003493E-03 Delta_ec 0.1771663E-03 Delta_et -0.1115995E-02 Pxc 0.4341799E+01 Qxc -0.3953061E+01 3,+3 140 3 -1 -1.470525 0.424560 3.381437 Rho 0.1527043E+00 |GRAD(Rho)| 0.1979600E-12 GRAD(Rho)x -0.1251679E-12 GRAD(Rho)y -0.1433767E-12 GRAD(Rho)z -0.5444524E-13 Laplacian 0.5909648E+00 (-1/4)Del**2(Rho)) -0.1477412E+00 Diamond 0.1215280E+01 Metallicity 0.5087098E+01 Ellipticity 0.6950063E-01 Gb(Abramov) 0.2237565E+00 Vb(Abramov) -0.2997717E+00 Hb(Abramov) -0.7601526E-01 Ex_ueg -0.6028185E-01 Ec_ueg -0.8616849E-02 Delta_ex -0.6366312E-01 Delta_ec 0.1478362E-01 Delta_et -0.1969428E+00 Pxc 0.6995811E+01 Qxc -0.4306327E+01 3,-1 141 3 -1 -1.442438 0.601055 -2.968817 Rho 0.1070497E+00 |GRAD(Rho)| 0.6278295E-16 GRAD(Rho)x 0.2914842E-16 GRAD(Rho)y -0.5560602E-16 GRAD(Rho)z -0.1973587E-18 Laplacian 0.4419720E+00 (-1/4)Del**2(Rho)) -0.1104930E+00 Diamond 0.5949333E+00 Metallicity 0.3762943E+01 Ellipticity 0.1192359E-01 Gb(Abramov) 0.1429585E+00 Vb(Abramov) -0.1754240E+00 Hb(Abramov) -0.3246548E-01 Ex_ueg -0.3754042E-01 Ec_ueg -0.5754043E-02 Delta_ex -0.4373494E-01 Delta_ec 0.1208823E-01 Delta_et -0.1520916E+00 Pxc 0.6524182E+01 Qxc -0.3617977E+01 3,-1 142 3 -1 0.025027 2.390647 2.350946 Rho 0.1064654E+00 |GRAD(Rho)| 0.1288761E-13 GRAD(Rho)x -0.5889894E-14 GRAD(Rho)y -0.3845001E-14 GRAD(Rho)z -0.1079887E-13 Laplacian 0.4393026E+00 (-1/4)Del**2(Rho)) -0.1098257E+00 Diamond 0.5874435E+00 Metallicity 0.3751432E+01 Ellipticity 0.1240436E-01 Gb(Abramov) 0.1418844E+00 Vb(Abramov) -0.1739430E+00 Hb(Abramov) -0.3205869E-01 Ex_ueg -0.3726747E-01 Ec_ueg -0.5718342E-02 Delta_ex -0.4341474E-01 Delta_ec 0.1202978E-01 Delta_et -0.1511988E+00 Pxc 0.6517181E+01 Qxc -0.3608939E+01 3,-1 143 3 +1 0.736657 2.756585 1.004486 Rho 0.1159714E-01 |GRAD(Rho)| 0.1832941E-14 GRAD(Rho)x -0.1508615E-14 GRAD(Rho)y 0.1378542E-15 GRAD(Rho)z 0.1031867E-14 Laplacian 0.5746396E-01 (-1/4)Del**2(Rho)) -0.1436599E-01 Diamond 0.2202750E-02 Metallicity 0.7125288E+00 Ellipticity -0.1243315E+01 Gb(Abramov) 0.1128336E-01 Vb(Abramov) -0.8200724E-02 Hb(Abramov) 0.3082633E-02 Ex_ueg -0.1938740E-02 Ec_ueg -0.4410036E-03 Delta_ex -0.2800969E-02 Delta_ec 0.7488404E-03 Delta_et -0.5565962E-02 Pxc 0.4396200E+01 Qxc -0.3740409E+01 3,+1 144 3 -1 0.659072 -3.468886 -1.155925 Rho 0.1530837E+00 |GRAD(Rho)| 0.9571473E-15 GRAD(Rho)x 0.3849731E-15 GRAD(Rho)y -0.2475026E-15 GRAD(Rho)z 0.8406362E-15 Laplacian 0.5918059E+00 (-1/4)Del**2(Rho)) -0.1479515E+00 Diamond 0.1220476E+01 Metallicity 0.5100922E+01 Ellipticity 0.6954958E-01 Gb(Abramov) 0.2244158E+00 Vb(Abramov) -0.3008802E+00 Hb(Abramov) -0.7646434E-01 Ex_ueg -0.6048164E-01 Ec_ueg -0.8641206E-02 Delta_ex -0.6379119E-01 Delta_ec 0.1479255E-01 Delta_et -0.1971200E+00 Pxc 0.6999214E+01 Qxc -0.4312385E+01 3,-1 145 3 -1 0.744693 0.200220 -0.273183 Rho 0.1858800E+00 |GRAD(Rho)| 0.2968811E-15 GRAD(Rho)x -0.2636780E-15 GRAD(Rho)y -0.9020562E-16 GRAD(Rho)z 0.1023487E-15 Laplacian 0.5089492E+00 (-1/4)Del**2(Rho)) -0.1272373E+00 Diamond 0.1357321E+01 Metallicity 0.8197094E+01 Ellipticity 0.2987019E-03 Gb(Abramov) 0.2586542E+00 Vb(Abramov) -0.3900712E+00 Hb(Abramov) -0.1314169E+00 Ex_ueg -0.7834814E-01 Ec_ueg -0.1077870E-01 Delta_ex -0.5782945E-01 Delta_ec 0.1252726E-01 Delta_et -0.1720461E+00 Pxc 0.7268791E+01 Qxc -0.4616287E+01 3,-1 146 3 +1 0.797651 -0.034874 2.690143 Rho 0.2680718E-01 |GRAD(Rho)| 0.4997110E-16 GRAD(Rho)x 0.1234206E-17 GRAD(Rho)y -0.4019484E-16 GRAD(Rho)z 0.2966416E-16 Laplacian 0.1069495E+00 (-1/4)Del**2(Rho)) -0.2673737E-01 Diamond 0.1547642E-01 Metallicity 0.1547105E+01 Ellipticity -0.3779426E+01 Gb(Abramov) 0.2471917E-01 Vb(Abramov) -0.2270096E-01 Hb(Abramov) 0.2018204E-02 Ex_ueg -0.5925431E-02 Ec_ueg -0.1180127E-02 Delta_ex -0.6784798E-02 Delta_ec 0.1828553E-02 Delta_et -0.1641481E-01 Pxc 0.5021013E+01 Qxc -0.3710474E+01 3,+1 147 3 -1 1.111353 1.058777 3.385982 Rho 0.1531369E+00 |GRAD(Rho)| 0.1684634E-15 GRAD(Rho)x -0.3664603E-16 GRAD(Rho)y -0.1040021E-15 GRAD(Rho)z -0.1273599E-15 Laplacian 0.5924571E+00 (-1/4)Del**2(Rho)) -0.1481143E+00 Diamond 0.1222677E+01 Metallicity 0.5098266E+01 Ellipticity 0.6927010E-01 Gb(Abramov) 0.2245972E+00 Vb(Abramov) -0.3010801E+00 Hb(Abramov) -0.7648291E-01 Ex_ueg -0.6050966E-01 Ec_ueg -0.8644620E-02 Delta_ex -0.6387024E-01 Delta_ec 0.1481357E-01 Delta_et -0.1974237E+00 Pxc 0.6999690E+01 Qxc -0.4311603E+01 3,-1 148 3 -1 1.243754 0.947693 -2.971700 Rho 0.1068439E+00 |GRAD(Rho)| 0.1546699E-15 GRAD(Rho)x -0.2840610E-16 GRAD(Rho)y 0.1520390E-15 GRAD(Rho)z 0.1389134E-18 Laplacian 0.4406292E+00 (-1/4)Del**2(Rho)) -0.1101573E+00 Diamond 0.5914666E+00 Metallicity 0.3762324E+01 Ellipticity 0.1191917E-01 Gb(Abramov) 0.1425128E+00 Vb(Abramov) -0.1748683E+00 Hb(Abramov) -0.3235548E-01 Ex_ueg -0.3744422E-01 Ec_ueg -0.5741465E-02 Delta_ex -0.4357787E-01 Delta_ec 0.1204876E-01 Delta_et -0.1515287E+00 Pxc 0.6521719E+01 Qxc -0.3616794E+01 3,-1 149 3 -1 2.519142 0.504741 -3.728050 Rho 0.2393372E+00 |GRAD(Rho)| 0.3970756E-15 GRAD(Rho)x -0.2393376E-15 GRAD(Rho)y -0.4675622E-17 GRAD(Rho)z -0.3168039E-15 Laplacian 0.8600717E+00 (-1/4)Del**2(Rho)) -0.2150179E+00 Diamond 0.3041899E+01 Metallicity 0.7392004E+01 Ellipticity 0.2149696E-02 Gb(Abramov) 0.4082475E+00 Vb(Abramov) -0.6014771E+00 Hb(Abramov) -0.1932296E+00 Ex_ueg -0.1097485E+00 Ec_ueg -0.1439331E-01 Delta_ex -0.1038935E+00 Delta_ec 0.1911238E-01 Delta_et -0.2651418E+00 Pxc 0.7624968E+01 Qxc -0.5435928E+01 3,-1 150 3 +3 1.834099 0.488777 1.340954 Rho 0.4653927E-02 |GRAD(Rho)| 0.9274491E-15 GRAD(Rho)x -0.4381586E-15 GRAD(Rho)y 0.5457829E-15 GRAD(Rho)z 0.6085227E-15 Laplacian 0.1903263E-01 (-1/4)Del**2(Rho)) -0.4758156E-02 Diamond 0.1720528E-03 Metallicity 0.4696926E+00 Ellipticity -0.3214820E+00 Gb(Abramov) 0.3544583E-02 Vb(Abramov) -0.2331009E-02 Hb(Abramov) 0.1213574E-02 Ex_ueg -0.5738668E-03 Ec_ueg -0.1320504E-03 Delta_ex -0.6973234E-03 Delta_ec 0.1779193E-03 Delta_et -0.1117257E-02 Pxc 0.4345817E+01 Qxc -0.3919324E+01 3,+3 151 3 -1 2.297865 0.614427 1.681645 Rho 0.5404138E-02 |GRAD(Rho)| 0.5117732E-16 GRAD(Rho)x -0.3941710E-16 GRAD(Rho)y -0.1619199E-16 GRAD(Rho)z -0.2834130E-16 Laplacian 0.2176197E-01 (-1/4)Del**2(Rho)) -0.5440494E-02 Diamond 0.6558559E-03 Metallicity 0.5269777E+00 Ellipticity 0.2867173E+01 Gb(Abramov) 0.4104832E-02 Vb(Abramov) -0.2769171E-02 Hb(Abramov) 0.1335661E-02 Ex_ueg -0.7004121E-03 Ec_ueg -0.1643457E-03 Delta_ex -0.1175826E-02 Delta_ec 0.8234560E-03 Delta_et -0.4522240E-02 Pxc 0.4261820E+01 Qxc -0.1427916E+01 3,-1 152 3 -1 2.477204 1.298350 -2.420445 Rho 0.1094980E+00 |GRAD(Rho)| 0.1316262E-15 GRAD(Rho)x -0.3461315E-16 GRAD(Rho)y 0.1243851E-15 GRAD(Rho)z -0.2560750E-16 Laplacian 0.4237039E+00 (-1/4)Del**2(Rho)) -0.1059260E+00 Diamond 0.5868351E+00 Metallicity 0.4075942E+01 Ellipticity 0.2212432E-01 Gb(Abramov) 0.1425753E+00 Vb(Abramov) -0.1792247E+00 Hb(Abramov) -0.3664936E-01 Ex_ueg -0.3868954E-01 Ec_ueg -0.5903917E-02 Delta_ex -0.4216243E-01 Delta_ec 0.1154950E-01 Delta_et -0.1459599E+00 Pxc 0.6553199E+01 Qxc -0.3650586E+01 3,-1 153 3 +1 2.592849 -0.110278 -1.060497 Rho 0.2682981E-01 |GRAD(Rho)| 0.2854406E-13 GRAD(Rho)x 0.2113905E-13 GRAD(Rho)y -0.1226999E-13 GRAD(Rho)z 0.1474284E-13 Laplacian 0.1071359E+00 (-1/4)Del**2(Rho)) -0.2678398E-01 Diamond 0.1554255E-01 Metallicity 0.1546585E+01 Ellipticity -0.3792702E+01 Gb(Abramov) 0.2475994E-01 Vb(Abramov) -0.2273590E-01 Hb(Abramov) 0.2024041E-02 Ex_ueg -0.5932100E-02 Ec_ueg -0.1181276E-02 Delta_ex -0.6800252E-02 Delta_ec 0.1835470E-02 Delta_et -0.1647961E-01 Pxc 0.5021772E+01 Qxc -0.3704909E+01 3,+1 154 3 -1 2.672684 2.308797 -1.166505 Rho 0.1538946E+00 |GRAD(Rho)| 0.4488469E-15 GRAD(Rho)x 0.1956036E-15 GRAD(Rho)y 0.1773348E-16 GRAD(Rho)z -0.4035943E-15 Laplacian 0.5950168E+00 (-1/4)Del**2(Rho)) -0.1487542E+00 Diamond 0.1235305E+01 Metallicity 0.5118267E+01 Ellipticity 0.6974406E-01 Gb(Abramov) 0.2260634E+00 Vb(Abramov) -0.3033726E+00 Hb(Abramov) -0.7730922E-01 Ex_ueg -0.6090921E-01 Ec_ueg -0.8693289E-02 Delta_ex -0.6422488E-01 Delta_ec 0.1485989E-01 Delta_et -0.1981725E+00 Pxc 0.7006462E+01 Qxc -0.4322030E+01 3,-1 155 3 -1 3.093135 3.299329 -0.103788 Rho 0.2392809E+00 |GRAD(Rho)| 0.5762601E-10 GRAD(Rho)x 0.3403187E-10 GRAD(Rho)y 0.4603223E-10 GRAD(Rho)z 0.6604715E-11 Laplacian 0.8605823E+00 (-1/4)Del**2(Rho)) -0.2151456E+00 Diamond 0.3042200E+01 Metallicity 0.7384720E+01 Ellipticity 0.2469066E-02 Gb(Abramov) 0.4082287E+00 Vb(Abramov) -0.6013118E+00 Hb(Abramov) -0.1930831E+00 Ex_ueg -0.1097141E+00 Ec_ueg -0.1438942E-01 Delta_ex -0.1039454E+00 Delta_ec 0.1911893E-01 Delta_et -0.2652035E+00 Pxc 0.7624637E+01 Qxc -0.5436778E+01 3,-1 156 3 -1 4.376785 -1.122454 0.167981 Rho 0.2392112E+00 |GRAD(Rho)| 0.7560589E-15 GRAD(Rho)x 0.7534121E-15 GRAD(Rho)y -0.6250426E-16 GRAD(Rho)z 0.9405454E-17 Laplacian 0.8602583E+00 (-1/4)Del**2(Rho)) -0.2150646E+00 Diamond 0.3039798E+01 Metallicity 0.7383919E+01 Ellipticity 0.2288700E-02 Gb(Abramov) 0.4080463E+00 Vb(Abramov) -0.6010280E+00 Hb(Abramov) -0.1929817E+00 Ex_ueg -0.1096715E+00 Ec_ueg -0.1438461E-01 Delta_ex -0.1038973E+00 Delta_ec 0.1911154E-01 Delta_et -0.2650902E+00 Pxc 0.7624228E+01 Qxc -0.5436365E+01 3,-1 157 3 -1 -3.166667 -3.225036 0.158624 Rho 0.2391063E+00 |GRAD(Rho)| 0.5902297E-16 GRAD(Rho)x 0.3838076E-16 GRAD(Rho)y -0.3019503E-16 GRAD(Rho)z -0.3314948E-16 Laplacian 0.8603079E+00 (-1/4)Del**2(Rho)) -0.2150770E+00 Diamond 0.3038156E+01 Metallicity 0.7378095E+01 Ellipticity 0.2200417E-02 Gb(Abramov) 0.4078611E+00 Vb(Abramov) -0.6006451E+00 Hb(Abramov) -0.1927841E+00 Ex_ueg -0.1096074E+00 Ec_ueg -0.1437736E-01 Delta_ex -0.1038903E+00 Delta_ec 0.1911309E-01 Delta_et -0.2650986E+00 Pxc 0.7623611E+01 Qxc -0.5435556E+01 3,-1 158 3 -1 -1.233326 3.343837 -0.980019 Rho 0.1096449E+00 |GRAD(Rho)| 0.1623635E-13 GRAD(Rho)x -0.1294777E-13 GRAD(Rho)y 0.3275706E-14 GRAD(Rho)z 0.9232768E-14 Laplacian 0.4239512E+00 (-1/4)Del**2(Rho)) -0.1059878E+00 Diamond 0.5881701E+00 Metallicity 0.4082672E+01 Ellipticity 0.2217597E-01 Gb(Abramov) 0.1427774E+00 Vb(Abramov) -0.1795671E+00 Hb(Abramov) -0.3678965E-01 Ex_ueg -0.3875873E-01 Ec_ueg -0.5912919E-02 Delta_ex -0.4220104E-01 Delta_ec 0.1155391E-01 Delta_et -0.1460539E+00 Pxc 0.6554923E+01 Qxc -0.3652533E+01 3,-1 159 3 -1 -0.815839 3.131131 0.961653 Rho 0.1557457E+00 |GRAD(Rho)| 0.7549450E-13 GRAD(Rho)x -0.5134868E-13 GRAD(Rho)y -0.9350492E-14 GRAD(Rho)z 0.5454632E-13 Laplacian 0.6485881E+00 (-1/4)Del**2(Rho)) -0.1621470E+00 Diamond 0.1347557E+01 Metallicity 0.4790025E+01 Ellipticity 0.3094009E-01 Gb(Abramov) 0.2375461E+00 Vb(Abramov) -0.3129451E+00 Hb(Abramov) -0.7539905E-01 Ex_ueg -0.6188802E-01 Ec_ueg -0.8812333E-02 Delta_ex -0.7003984E-01 Delta_ec 0.1583711E-01 Delta_et -0.2107693E+00 Pxc 0.7022888E+01 Qxc -0.4422515E+01 3,-1 160 3 -1 -1.215049 4.356377 0.166803 Rho 0.2393039E+00 |GRAD(Rho)| 0.4499424E-16 GRAD(Rho)x -0.3198396E-17 GRAD(Rho)y -0.2070826E-16 GRAD(Rho)z -0.3981732E-16 Laplacian 0.8602814E+00 (-1/4)Del**2(Rho)) -0.2150704E+00 Diamond 0.3042469E+01 Metallicity 0.7388489E+01 Ellipticity 0.2649747E-02 Gb(Abramov) 0.4082211E+00 Vb(Abramov) -0.6013718E+00 Hb(Abramov) -0.1931507E+00 Ex_ueg -0.1097282E+00 Ec_ueg -0.1439101E-01 Delta_ex -0.1039169E+00 Delta_ec 0.1912104E-01 Delta_et -0.2652748E+00 Pxc 0.7624773E+01 Qxc -0.5434686E+01 3,-1 161 3 -1 0.202710 -1.549924 -2.971876 Rho 0.1076696E+00 |GRAD(Rho)| 0.1327935E-12 GRAD(Rho)x 0.1305502E-12 GRAD(Rho)y 0.4245451E-14 GRAD(Rho)z -0.2393164E-13 Laplacian 0.4449877E+00 (-1/4)Del**2(Rho)) -0.1112469E+00 Diamond 0.6031005E+00 Metallicity 0.3773581E+01 Ellipticity 0.1149535E-01 Gb(Abramov) 0.1441312E+00 Vb(Abramov) -0.1770154E+00 Hb(Abramov) -0.3288425E-01 Ex_ueg -0.3783054E-01 Ec_ueg -0.5791946E-02 Delta_ex -0.4409208E-01 Delta_ec 0.1215282E-01 Delta_et -0.1530681E+00 Pxc 0.6531577E+01 Qxc -0.3628136E+01 3,-1 162 3 -1 0.365916 -1.494873 3.391347 Rho 0.1536974E+00 |GRAD(Rho)| 0.2108987E-15 GRAD(Rho)x -0.1018066E-15 GRAD(Rho)y -0.1357709E-16 GRAD(Rho)z -0.1841992E-15 Laplacian 0.5945745E+00 (-1/4)Del**2(Rho)) -0.1486436E+00 Diamond 0.1232528E+01 Metallicity 0.5111142E+01 Ellipticity 0.6923121E-01 Gb(Abramov) 0.2257189E+00 Vb(Abramov) -0.3027941E+00 Hb(Abramov) -0.7707524E-01 Ex_ueg -0.6080518E-01 Ec_ueg -0.8680622E-02 Delta_ex -0.6415719E-01 Delta_ec 0.1485432E-01 Delta_et -0.1980664E+00 Pxc 0.7004703E+01 Qxc -0.4319092E+01 3,-1 163 3 -1 2.945171 -1.594333 -0.173530 Rho 0.1062866E+00 |GRAD(Rho)| 0.4664446E-16 GRAD(Rho)x -0.3508410E-16 GRAD(Rho)y -0.2691532E-16 GRAD(Rho)z -0.1484510E-16 Laplacian 0.4382367E+00 (-1/4)Del**2(Rho)) -0.1095592E+00 Diamond 0.5846439E+00 Metallicity 0.3750032E+01 Ellipticity 0.1182903E-01 Gb(Abramov) 0.1415145E+00 Vb(Abramov) -0.1734699E+00 Hb(Abramov) -0.3195534E-01 Ex_ueg -0.3718400E-01 Ec_ueg -0.5707417E-02 Delta_ex -0.4328932E-01 Delta_ec 0.1199984E-01 Delta_et -0.1507672E+00 Pxc 0.6515031E+01 Qxc -0.3607490E+01 3,-1 164 3 -1 -4.400409 1.035957 -0.093555 Rho 0.2391762E+00 |GRAD(Rho)| 0.2216053E-15 GRAD(Rho)x -0.1141665E-15 GRAD(Rho)y 0.1737434E-15 GRAD(Rho)z 0.7673441E-16 Laplacian 0.8603089E+00 (-1/4)Del**2(Rho)) -0.2150772E+00 Diamond 0.3039985E+01 Metallicity 0.7381682E+01 Ellipticity 0.2087441E-02 Gb(Abramov) 0.4079901E+00 Vb(Abramov) -0.6009029E+00 Hb(Abramov) -0.1929129E+00 Ex_ueg -0.1096501E+00 Ec_ueg -0.1438218E-01 Delta_ex -0.1039024E+00 Delta_ec 0.1911869E-01 Delta_et -0.2652108E+00 Pxc 0.7624022E+01 Qxc -0.5434595E+01 3,-1 165 3 +1 -0.410598 -0.683428 2.690323 Rho 0.2685729E-01 |GRAD(Rho)| 0.7891582E-16 GRAD(Rho)x 0.2137560E-16 GRAD(Rho)y 0.3956885E-16 GRAD(Rho)z -0.6484671E-16 Laplacian 0.1072969E+00 (-1/4)Del**2(Rho)) -0.2682422E-01 Diamond 0.1575846E-01 Metallicity 0.1546903E+01 Ellipticity -0.4057028E+01 Gb(Abramov) 0.2479856E-01 Vb(Abramov) -0.2277289E-01 Hb(Abramov) 0.2025665E-02 Ex_ueg -0.5940203E-02 Ec_ueg -0.1182673E-02 Delta_ex -0.6829176E-02 Delta_ec 0.1868293E-02 Delta_et -0.1677314E-01 Pxc 0.5022693E+01 Qxc -0.3655302E+01 3,+1 166 3 -1 -0.112704 -2.792597 -2.414787 Rho 0.1094305E+00 |GRAD(Rho)| 0.1273819E-15 GRAD(Rho)x 0.1199704E-15 GRAD(Rho)y -0.3678156E-16 GRAD(Rho)z 0.2191782E-16 Laplacian 0.4229935E+00 (-1/4)Del**2(Rho)) -0.1057484E+00 Diamond 0.5851563E+00 Metallicity 0.4078589E+01 Ellipticity 0.2299756E-01 Gb(Abramov) 0.1423829E+00 Vb(Abramov) -0.1790175E+00 Hb(Abramov) -0.3663457E-01 Ex_ueg -0.3865771E-01 Ec_ueg -0.5899774E-02 Delta_ex -0.4208167E-01 Delta_ec 0.1152472E-01 Delta_et -0.1456200E+00 Pxc 0.6552405E+01 Qxc -0.3651427E+01 3,-1 167 3 -1 -0.092352 3.353410 -0.178649 Rho 0.1063855E+00 |GRAD(Rho)| 0.3046443E-15 GRAD(Rho)x 0.2842575E-15 GRAD(Rho)y -0.3114794E-16 GRAD(Rho)z 0.1050507E-15 Laplacian 0.4396126E+00 (-1/4)Del**2(Rho)) -0.1099031E+00 Diamond 0.5877819E+00 Metallicity 0.3744095E+01 Ellipticity 0.1233552E-01 Gb(Abramov) 0.1418501E+00 Vb(Abramov) -0.1737970E+00 Hb(Abramov) -0.3194692E-01 Ex_ueg -0.3723015E-01 Ec_ueg -0.5713458E-02 Delta_ex -0.4344488E-01 Delta_ec 0.1205313E-01 Delta_et -0.1514881E+00 Pxc 0.6516220E+01 Qxc -0.3604449E+01 3,-1 168 3 +3 0.001776 -0.001225 -1.936092 Rho 0.5029798E-02 |GRAD(Rho)| 0.1728158E-17 GRAD(Rho)x 0.1416949E-17 GRAD(Rho)y -0.7149802E-18 GRAD(Rho)z 0.6838037E-18 Laplacian 0.1954220E-01 (-1/4)Del**2(Rho)) -0.4885549E-02 Diamond 0.1382397E-03 Metallicity 0.5206638E+00 Ellipticity -0.9540180E-02 Gb(Abramov) 0.3680987E-02 Vb(Abramov) -0.2476426E-02 Hb(Abramov) 0.1204562E-02 Ex_ueg -0.6364815E-03 Ec_ueg -0.1481953E-03 Delta_ex -0.6768872E-03 Delta_ec 0.8716180E-04 Delta_et -0.6876211E-03 Pxc 0.4294882E+01 Qxc -0.7765870E+01 3,+3 169 3 -1 3.509714 -0.602699 -0.979767 Rho 0.1087607E+00 |GRAD(Rho)| 0.1415395E-12 GRAD(Rho)x 0.2752420E-13 GRAD(Rho)y 0.1388285E-12 GRAD(Rho)z -0.1576193E-14 Laplacian 0.4205195E+00 (-1/4)Del**2(Rho)) -0.1051299E+00 Diamond 0.5776504E+00 Metallicity 0.4060818E+01 Ellipticity 0.2199738E-01 Gb(Abramov) 0.1412388E+00 Vb(Abramov) -0.1773477E+00 Hb(Abramov) -0.3610892E-01 Ex_ueg -0.3834254E-01 Ec_ueg -0.5858732E-02 Delta_ex -0.4177814E-01 Delta_ec 0.1147881E-01 Delta_et -0.1448815E+00 Pxc 0.6544513E+01 Qxc -0.3639588E+01 3,-1 170 3 +1 -0.085021 -2.397291 -1.449691 Rho 0.2691800E-01 |GRAD(Rho)| 0.1079816E-10 GRAD(Rho)x 0.5754342E-11 GRAD(Rho)y -0.6168397E-11 GRAD(Rho)z 0.6740816E-11 Laplacian 0.1075483E+00 (-1/4)Del**2(Rho)) -0.2688708E-01 Diamond 0.1566310E-01 Metallicity 0.1549106E+01 Ellipticity -0.3792140E+01 Gb(Abramov) 0.2486654E-01 Vb(Abramov) -0.2284600E-01 Hb(Abramov) 0.2020539E-02 Ex_ueg -0.5958115E-02 Ec_ueg -0.1185759E-02 Delta_ex -0.6831453E-02 Delta_ec 0.1840786E-02 Delta_et -0.1654081E-01 Pxc 0.5024725E+01 Qxc -0.3711161E+01 3,+1 171 3 -1 -1.383140 2.511563 -2.364446 Rho 0.1534513E+00 |GRAD(Rho)| 0.3001110E-11 GRAD(Rho)x -0.1215150E-12 GRAD(Rho)y -0.2554730E-11 GRAD(Rho)z -0.1570111E-11 Laplacian 0.5937140E+00 (-1/4)Del**2(Rho)) -0.1484285E+00 Diamond 0.1228214E+01 Metallicity 0.5104893E+01 Ellipticity 0.6977932E-01 Gb(Abramov) 0.2252376E+00 Vb(Abramov) -0.3020467E+00 Hb(Abramov) -0.7680911E-01 Ex_ueg -0.6067536E-01 Ec_ueg -0.8664810E-02 Delta_ex -0.6403741E-01 Delta_ec 0.1483599E-01 Delta_et -0.1977731E+00 Pxc 0.7002504E+01 Qxc -0.4316356E+01 3,-1 172 3 -1 -1.103638 2.246634 -0.242897 Rho 0.4425216E-01 |GRAD(Rho)| 0.1336518E-13 GRAD(Rho)x 0.2335161E-14 GRAD(Rho)y 0.1284428E-13 GRAD(Rho)z 0.2863498E-14 Laplacian 0.1849007E+00 (-1/4)Del**2(Rho)) -0.4622519E-01 Diamond 0.8120897E-01 Metallicity 0.2063314E+01 Ellipticity 0.1415793E-01 Gb(Abramov) 0.4671297E-01 Vb(Abramov) -0.4720076E-01 Hb(Abramov) -0.4877848E-03 Ex_ueg -0.1156018E-01 Ec_ueg -0.2099709E-02 Delta_ex -0.1485290E-01 Delta_ec 0.5678649E-02 Delta_et -0.5801430E-01 Pxc 0.5505609E+01 Qxc -0.2615570E+01 3,-1 173 3 -1 -2.055144 3.099639 0.142447 Rho 0.1540930E+00 |GRAD(Rho)| 0.1641281E-13 GRAD(Rho)x 0.1469810E-13 GRAD(Rho)y 0.7291490E-14 GRAD(Rho)z -0.4248362E-15 Laplacian 0.5959028E+00 (-1/4)Del**2(Rho)) -0.1489757E+00 Diamond 0.1239271E+01 Metallicity 0.5121644E+01 Ellipticity 0.6956677E-01 Gb(Abramov) 0.2264839E+00 Vb(Abramov) -0.3039921E+00 Hb(Abramov) -0.7750818E-01 Ex_ueg -0.6101394E-01 Ec_ueg -0.8706039E-02 Delta_ex -0.6434302E-01 Delta_ec 0.1488081E-01 Delta_et -0.1984941E+00 Pxc 0.7008231E+01 Qxc -0.4323892E+01 3,-1 174 3 +1 0.000876 -0.001096 -3.027277 Rho 0.1161642E-01 |GRAD(Rho)| 0.7844552E-14 GRAD(Rho)x -0.6275340E-14 GRAD(Rho)y -0.4702501E-14 GRAD(Rho)z -0.2087699E-15 Laplacian 0.5762375E-01 (-1/4)Del**2(Rho)) -0.1440594E-01 Diamond 0.2214337E-02 Metallicity 0.7125225E+00 Ellipticity -0.1243259E+01 Gb(Abramov) 0.1131472E-01 Vb(Abramov) -0.8223497E-02 Hb(Abramov) 0.3091220E-02 Ex_ueg -0.1943038E-02 Ec_ueg -0.4418905E-03 Delta_ex -0.2810114E-02 Delta_ec 0.7511534E-03 Delta_et -0.5585254E-02 Pxc 0.4397103E+01 Qxc -0.3741065E+01 3,+1 175 3 -1 -0.545336 0.546184 -0.271534 Rho 0.1856885E+00 |GRAD(Rho)| 0.1040303E-14 GRAD(Rho)x 0.7285839E-15 GRAD(Rho)y -0.5065393E-15 GRAD(Rho)z 0.5429684E-15 Laplacian 0.5079532E+00 (-1/4)Del**2(Rho)) -0.1269883E+00 Diamond 0.1353386E+01 Metallicity 0.8199070E+01 Ellipticity 0.1801154E-03 Gb(Abramov) 0.2581899E+00 Vb(Abramov) -0.3893914E+00 Hb(Abramov) -0.1312016E+00 Ex_ueg -0.7824054E-01 Ec_ueg -0.1076604E-01 Delta_ex -0.5770429E-01 Delta_ec 0.1251146E-01 Delta_et -0.1718264E+00 Pxc 0.7267345E+01 Qxc -0.4612113E+01 3,-1 176 3 -1 -0.200052 -0.744502 -0.273008 Rho 0.1858985E+00 |GRAD(Rho)| 0.5579799E-15 GRAD(Rho)x -0.2619432E-15 GRAD(Rho)y -0.4093947E-15 GRAD(Rho)z -0.2740863E-15 Laplacian 0.5092004E+00 (-1/4)Del**2(Rho)) -0.1273001E+00 Diamond 0.1358253E+01 Metallicity 0.8194410E+01 Ellipticity 0.6121960E-04 Gb(Abramov) 0.2587250E+00 Vb(Abramov) -0.3901498E+00 Hb(Abramov) -0.1314248E+00 Ex_ueg -0.7835854E-01 Ec_ueg -0.1077993E-01 Delta_ex -0.5786019E-01 Delta_ec 0.1253446E-01 Delta_et -0.1721508E+00 Pxc 0.7268931E+01 Qxc -0.4616091E+01 3,-1 177 3 -1 -1.160241 -0.952837 3.377753 Rho 0.1100468E+00 |GRAD(Rho)| 0.8553225E-13 GRAD(Rho)x 0.4860876E-13 GRAD(Rho)y 0.2949427E-13 GRAD(Rho)z 0.6389869E-13 Laplacian 0.4267134E+00 (-1/4)Del**2(Rho)) -0.1066783E+00 Diamond 0.5945081E+00 Metallicity 0.4081057E+01 Ellipticity 0.2291294E-01 Gb(Abramov) 0.1436790E+00 Vb(Abramov) -0.1806796E+00 Hb(Abramov) -0.3700062E-01 Ex_ueg -0.3894828E-01 Ec_ueg -0.5937570E-02 Delta_ex -0.4251104E-01 Delta_ec 0.1161660E-01 Delta_et -0.1469422E+00 Pxc 0.6559633E+01 Qxc -0.3659507E+01 3,-1 178 3 +1 0.847101 2.231707 -1.687275 Rho 0.5350660E-02 |GRAD(Rho)| 0.1855519E-17 GRAD(Rho)x 0.1228833E-17 GRAD(Rho)y -0.1373464E-17 GRAD(Rho)z -0.2156758E-18 Laplacian 0.2208595E-01 (-1/4)Del**2(Rho)) -0.5521488E-02 Diamond 0.5486765E-03 Metallicity 0.5107119E+00 Ellipticity -0.2819792E+01 Gb(Abramov) 0.4150974E-02 Vb(Abramov) -0.2780459E-02 Hb(Abramov) 0.1370514E-02 Ex_ueg -0.6911859E-03 Ec_ueg -0.1620342E-03 Delta_ex -0.1099458E-02 Delta_ec 0.6719702E-03 Delta_et -0.3733780E-02 Pxc 0.4265679E+01 Qxc -0.1636171E+01 3,+1 179 3 -1 1.812782 0.403006 -1.696455 Rho 0.4394375E-01 |GRAD(Rho)| 0.1098788E-15 GRAD(Rho)x -0.2618380E-16 GRAD(Rho)y 0.3165288E-18 GRAD(Rho)z 0.1067130E-15 Laplacian 0.1834700E+00 (-1/4)Del**2(Rho)) -0.4586749E-01 Diamond 0.7978815E-01 Metallicity 0.2055307E+01 Ellipticity 0.1647277E-01 Gb(Abramov) 0.4629029E-01 Vb(Abramov) -0.4671309E-01 Hb(Abramov) -0.4227992E-03 Ex_ueg -0.1145288E-01 Ec_ueg -0.2082948E-02 Delta_ex -0.1471089E-01 Delta_ec 0.5632218E-02 Delta_et -0.5743169E-01 Pxc 0.5498398E+01 Qxc -0.2611918E+01 3,-1 180 3 -1 2.494554 -0.165229 -0.243311 Rho 0.4433313E-01 |GRAD(Rho)| 0.1085618E-15 GRAD(Rho)x 0.1021390E-15 GRAD(Rho)y -0.2348865E-16 GRAD(Rho)z 0.2831197E-16 Laplacian 0.1850449E+00 (-1/4)Del**2(Rho)) -0.4626123E-01 Diamond 0.8145127E-01 Metallicity 0.2067997E+01 Ellipticity 0.1604026E-01 Gb(Abramov) 0.4678550E-01 Vb(Abramov) -0.4730978E-01 Hb(Abramov) -0.5242744E-03 Ex_ueg -0.1158839E-01 Ec_ueg -0.2104111E-02 Delta_ex -0.1487005E-01 Delta_ec 0.5680914E-02 Delta_et -0.5806548E-01 Pxc 0.5507496E+01 Qxc -0.2617546E+01 3,-1 181 3 -1 0.844004 2.521948 3.654684 Rho 0.2392451E+00 |GRAD(Rho)| 0.7709392E-15 GRAD(Rho)x 0.2339979E-15 GRAD(Rho)y 0.2142926E-15 GRAD(Rho)z 0.7026172E-15 Laplacian 0.8610081E+00 (-1/4)Del**2(Rho)) -0.2152520E+00 Diamond 0.3043032E+01 Metallicity 0.7379230E+01 Ellipticity 0.2623468E-02 Gb(Abramov) 0.4082337E+00 Vb(Abramov) -0.6012154E+00 Hb(Abramov) -0.1929817E+00 Ex_ueg -0.1096922E+00 Ec_ueg -0.1438695E-01 Delta_ex -0.1039921E+00 Delta_ec 0.1912803E-01 Delta_et -0.2653231E+00 Pxc 0.7624427E+01 Qxc -0.5436632E+01 3,-1 182 3 -1 0.000790 -0.001885 0.818533 Rho 0.1855916E+00 |GRAD(Rho)| 0.1360449E-14 GRAD(Rho)x -0.3371869E-16 GRAD(Rho)y -0.4716279E-17 GRAD(Rho)z -0.1360023E-14 Laplacian 0.5081601E+00 (-1/4)Del**2(Rho)) -0.1270400E+00 Diamond 0.1352335E+01 Metallicity 0.8188602E+01 Ellipticity 0.2164025E-03 Gb(Abramov) 0.2580734E+00 Vb(Abramov) -0.3891067E+00 Hb(Abramov) -0.1310334E+00 Ex_ueg -0.7818608E-01 Ec_ueg -0.1075963E-01 Delta_ex -0.5771456E-01 Delta_ec 0.1250819E-01 Delta_et -0.1717412E+00 Pxc 0.7266612E+01 Qxc -0.4614143E+01 3,-1 183 3 -1 0.620214 2.298380 -1.684278 Rho 0.5386237E-02 |GRAD(Rho)| 0.4396386E-17 GRAD(Rho)x 0.2104665E-17 GRAD(Rho)y 0.2472913E-17 GRAD(Rho)z 0.2963662E-17 Laplacian 0.2170592E-01 (-1/4)Del**2(Rho)) -0.5426481E-02 Diamond 0.6509824E-03 Metallicity 0.5254250E+00 Ellipticity 0.2997444E+01 Gb(Abramov) 0.4092855E-02 Vb(Abramov) -0.2759230E-02 Hb(Abramov) 0.1333626E-02 Ex_ueg -0.6973204E-03 Ec_ueg -0.1635718E-03 Delta_ex -0.1171857E-02 Delta_ec 0.8209221E-03 Delta_et -0.4503900E-02 Pxc 0.4263083E+01 Qxc -0.1427489E+01 3,-1 184 3 -1 2.867144 -0.058247 -2.367983 Rho 0.1540823E+00 |GRAD(Rho)| 0.1833329E-15 GRAD(Rho)x -0.9427138E-16 GRAD(Rho)y 0.2595309E-16 GRAD(Rho)z -0.1550816E-15 Laplacian 0.5956263E+00 (-1/4)Del**2(Rho)) -0.1489066E+00 Diamond 0.1237905E+01 Metallicity 0.5123429E+01 Ellipticity 0.7038609E-01 Gb(Abramov) 0.2264231E+00 Vb(Abramov) -0.3039396E+00 Hb(Abramov) -0.7751653E-01 Ex_ueg -0.6100829E-01 Ec_ueg -0.8705353E-02 Delta_ex -0.6430545E-01 Delta_ec 0.1486237E-01 Delta_et -0.1982177E+00 Pxc 0.7008136E+01 Qxc -0.4326731E+01 3,-1 185 3 -1 3.118433 -0.858751 0.965238 Rho 0.1552372E+00 |GRAD(Rho)| 0.3781013E-15 GRAD(Rho)x -0.3682086E-15 GRAD(Rho)y 0.7269576E-16 GRAD(Rho)z 0.4580754E-16 Laplacian 0.6462963E+00 (-1/4)Del**2(Rho)) -0.1615741E+00 Diamond 0.1337573E+01 Metallicity 0.4780880E+01 Ellipticity 0.3064664E-01 Gb(Abramov) 0.2364604E+00 Vb(Abramov) -0.3113468E+00 Hb(Abramov) -0.7488636E-01 Ex_ueg -0.6161874E-01 Ec_ueg -0.8779609E-02 Delta_ex -0.6973607E-01 Delta_ec 0.1579499E-01 Delta_et -0.2101245E+00 Pxc 0.7018392E+01 Qxc -0.4415076E+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 80 81 82 126 138 69 140 177 65 131 117 118 144 71 134 179 87 148 184 152 149 172 159 167 173 158 160 119 97 92 86 162 91 136 123 120 124 154 155 107 141 80 109 171 110 116 57 60 103 127 157 115 130 161 114 166 113 105 125 99 98 100 164 81 79 142 147 82 181 180 185 163 95 169 156 182 176 145 175 59 151 94 106 183 129 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 2.394209 1.876719 2.018545 1.893343 2.026293 1.718125 2.400199 1.873787 2.024651 1.892333 2.029221 1.718036 2.402199 1.875034 2.025575 1.889688 2.028399 1.717793 2.399260 1.872886 2.027041 1.889669 2.028065 1.717849 2.400985 2.026235 1.875526 2.025509 1.890680 1.717792 2.399794 2.027708 1.870591 2.032626 1.890099 1.717854 2.398477 2.024688 1.874702 2.027902 1.891302 1.717892 2.397671 2.021659 1.877067 2.025130 1.890839 1.718145 2.399078 1.873998 2.022226 1.892575 2.028930 1.717988 2.397290 1.874896 2.020154 1.892122 2.028433 1.718054 2.397685 1.873898 2.026892 1.892083 2.026215 1.717906 2.398628 1.874199 2.027714 1.888593 2.031293 1.717961 1.699134 1.698494 1.698538 1.699002 3.260582 3.259788 3.264883 3.255294 3.261229 3.259320 2.396021 1.877336 2.019026 1.894107 2.027061 1.718141 2.402040 1.874409 2.025121 1.893092 2.029988 1.718049 2.404053 1.875652 2.026042 1.890447 2.029165 1.717811 2.401100 1.873511 2.027506 1.890411 2.028838 1.717863 2.402826 2.026702 1.876147 2.026274 1.891422 1.717808 2.401638 2.028172 1.871212 2.033396 1.890845 1.717869 2.400315 2.025158 1.875321 2.028674 1.892058 1.717907 2.399511 2.022133 1.877688 2.025900 1.891600 1.718158 2.400917 1.874623 2.022696 1.893336 2.029700 1.718004 2.399140 1.875512 2.020626 1.892881 2.029201 1.718070 2.399507 1.874523 2.027354 1.892829 2.026985 1.717921 2.400465 1.874820 2.028183 1.889346 2.032063 1.717975 1.699134 1.698496 1.698539 1.699003 3.269462 3.268602 3.273808 3.264094 3.270161 3.268045 27 24 25 26 25 22 27 26 25 24 24 22 27 23 25 29 27 23 27 25 25 24 24 22 27 28 23 25 24 21 27 26 25 25 23 21 27 24 25 24 25 22 27 26 25 25 28 21 27 27 24 24 24 22 30 24 25 24 24 21 27 25 25 25 25 23 27 29 25 30 24 21 25 23 21 22 35 35 35 35 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 46 47 48 49 50 51 52 53 Mo Mo 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 O As 2.3723 2.3712 2.3717 2.3724 2.3715 2.3738 2.3724 2.3728 2.3731 2.3723 2.3721 2.3728 -1.1340 -1.1338 -1.1331 -1.1333 -0.8953 -0.8948 -0.8949 -0.8950 -0.8949 -0.8947 -0.8952 -0.8954 -0.8951 -0.8961 -0.8948 -0.8947 -0.8805 -0.8807 -0.8798 -0.8803 -0.8799 -0.8798 -0.8804 -0.8804 -0.8798 -0.8805 -0.8804 -0.8807 -0.6679 -0.6687 -0.6684 -0.6684 -0.6682 -0.6683 -0.6681 -0.6684 -0.6684 -0.6685 -0.6680 -0.6683 2.3898 1.9077 1.9088 1.9083 1.9077 1.9076 1.9079 1.9085 1.9076 1.9079 1.9075 1.9083 1.9088 1.9383 1.9386 1.9386 1.9385 1.9464 1.9466 1.9466 1.9466 1.9466 1.9466 1.9464 1.9463 1.9465 1.9462 1.9468 1.9465 1.9556 1.9555 1.9558 1.9556 1.9555 1.9557 1.9557 1.9555 1.9557 1.9556 1.9557 1.9557 1.9844 1.9844 1.9845 1.9845 1.9845 1.9845 1.9845 1.9844 1.9844 1.9844 1.9845 1.9844 0.8090 6.0708 6.0715 6.0717 6.0710 6.0718 6.0707 6.0708 6.0707 6.0708 6.0710 6.0711 6.0707 5.1573 5.1567 5.1560 5.1563 4.9221 4.9215 4.9215 4.9217 4.9216 4.9214 4.9220 4.9224 4.9219 4.9231 4.9211 4.9216 4.8960 4.8963 4.8952 4.8959 4.8956 4.8953 4.8957 4.8961 4.8954 4.8960 4.8958 4.8961 4.6479 4.6486 4.6481 4.6482 4.6480 4.6480 4.6479 4.6483 4.6483 4.6484 4.6478 4.6482 1.2451 3.6491 3.6485 3.6484 3.6488 3.6491 3.6476 3.6483 3.6489 3.6482 3.6492 3.6485 3.6477 0.0385 0.0385 0.0385 0.0385 0.0268 0.0267 0.0268 0.0267 0.0267 0.0268 0.0268 0.0268 0.0267 0.0268 0.0270 0.0267 0.0289 0.0289 0.0288 0.0288 0.0288 0.0288 0.0290 0.0287 0.0288 0.0289 0.0290 0.0289 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 0.0357 10.5561 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 Mo Mo 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 O As 3.177414 3.175689 3.176170 3.176624 3.176298 3.176037 3.176194 3.177283 3.176508 3.176941 3.176048 3.175693 -1.220323 -1.219620 -1.218935 -1.219897 -1.160406 -1.159509 -1.159708 -1.159250 -1.159345 -1.159540 -1.160367 -1.160568 -1.159792 -1.161260 -1.159512 -1.159527 -1.122556 -1.122383 -1.121207 -1.121900 -1.121646 -1.121380 -1.122332 -1.121729 -1.121628 -1.121897 -1.122477 -1.122242 -0.930708 -0.931774 -0.931424 -0.931179 -0.931257 -0.931095 -0.930997 -0.931166 -0.931284 -0.931230 -0.930872 -0.931345 2.318369 2.395599 2.395493 2.396098 2.396216 2.395986 2.396133 2.395651 2.395861 2.395876 2.395643 2.395522 2.395775 -0.930924 -0.930520 -0.930194 -0.930741 -0.904440 -0.904907 -0.904366 -0.904627 -0.904754 -0.904668 -0.904709 -0.904193 -0.904915 -0.904617 -0.904498 -0.904457 -0.898049 -0.897489 -0.897802 -0.897963 -0.897658 -0.897722 -0.897749 -0.898384 -0.897683 -0.897728 -0.897413 -0.897957 -0.672419 -0.673105 -0.672349 -0.672159 -0.672189 -0.671945 -0.672314 -0.672669 -0.672557 -0.672694 -0.672193 -0.672500 1.670365 2.469652 2.468039 2.469664 2.468478 2.467096 2.467559 2.467833 2.467591 2.468579 2.467891 2.467958 2.468042 -0.935823 -0.931691 -0.931674 -0.928239 -0.982049 -0.984068 -0.980435 -0.982469 -0.982502 -0.982562 -0.983768 -0.983427 -0.982569 -0.983064 -0.982160 -0.983530 -0.933403 -0.934161 -0.931991 -0.933961 -0.933493 -0.934017 -0.933667 -0.934019 -0.933080 -0.933939 -0.932585 -0.934226 -0.631328 -0.631571 -0.631897 -0.631290 -0.630422 -0.631231 -0.632016 -0.631418 -0.632195 -0.632177 -0.631175 -0.631387 1.682300 0.08158115 0.09436666 -0.00037021 0.12474249 -0.04144092 0.11875209 0.00082367 -0.08661813 -0.04972545 0.12805905 -342.4871 415.6426 -173.7781 -329.2941 -10.3074 -440.2242 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 Mar03-2024 10:05:47 Nodes: 1 Procs: 1 0 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Mar03-2024 10:05:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar03-2024 10:05:49 Nodes: 1 Procs: 1 Mar03-2024 10:05:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 10:05:50 Nodes: 1 Procs: 28 *** (NO TITLE) *** -3 -16.10504658 -16.17240285 -16.17569738 -16.17704963 -16.17739352 -16.17775682 -16.17783365 -16.17789331 -16.17791433 -16.17794054 GEOMETRY CONVERGED