ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 12:38:04 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.03 0.83 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 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 12:38:05 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 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 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 0 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 12:38:06 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.04 0.52 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 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 0 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 12:38:07 Molybdenum (TZP, 3d frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.31 0.05 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 0 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr27-2024 12:38:07 Nodes: 1 Procs: 1 Apr27-2024 12:38:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 12:38:10 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2325.590361000001 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-3.398555 2.245554 -0.001099 Rho 0.3189223E+03 3,-3 33 3 -3 1.472432 1.394347 3.453503 Rho 0.3189806E+03 3,-3 34 3 -3 1.524611 -1.295485 -3.470295 Rho 0.3189674E+03 3,-3 35 3 -3 -1.465178 3.476863 1.344528 Rho 0.3190083E+03 3,-3 36 3 -3 -1.813332 -3.639861 -1.689671 Rho 0.3194055E+03 3,-3 37 3 -3 -1.775154 -3.651804 1.623244 Rho 0.3192655E+03 3,-3 38 3 -3 -1.471305 3.482774 -1.334272 Rho 0.3190129E+03 3,-3 39 3 -3 1.557903 -1.273410 3.468872 Rho 0.3189165E+03 3,-3 40 3 -3 1.474803 1.378770 -3.422973 Rho 0.3189196E+03 3,-3 41 3 -3 -0.192351 -0.004166 5.258231 Rho 0.3192808E+03 3,-3 42 3 -3 3.879004 -2.721452 -2.527908 Rho 0.3193532E+03 3,-3 43 3 -3 -0.188944 0.011864 -5.257734 Rho 0.3192790E+03 3,-3 44 3 -3 0.228179 5.336045 -0.006044 Rho 0.3193839E+03 3,-3 45 3 -3 3.945965 -2.633344 2.540507 Rho 0.3192241E+03 3,-3 46 3 -3 3.761264 2.845672 -2.545340 Rho 0.3192634E+03 3,-3 47 3 -3 -3.749031 2.548082 -2.811783 Rho 0.3192496E+03 3,-3 48 3 -3 -3.837949 -2.302681 2.780520 Rho 0.3192213E+03 3,-3 49 3 -3 -3.901656 -2.301204 -2.821869 Rho 0.3193568E+03 3,-3 50 3 -3 -3.744992 2.523846 2.799674 Rho 0.3192503E+03 3,-3 51 3 -3 3.756965 2.889145 2.563189 Rho 0.3193926E+03 3,-3 52 3 +3 -2.414281 -0.085068 -0.022054 Rho 0.4800655E-02 |GRAD(Rho)| 0.1178900E-14 GRAD(Rho)x 0.8937788E-15 GRAD(Rho)y -0.7687063E-15 GRAD(Rho)z -0.7359846E-17 Laplacian 0.1996034E-01 (-1/4)Del**2(Rho)) -0.4990085E-02 Diamond 0.2043825E-03 Metallicity 0.4716422E+00 Ellipticity -0.7449895E+00 Gb(Abramov) 0.3718979E-02 Vb(Abramov) -0.2447874E-02 Hb(Abramov) 0.1271106E-02 Ex_ueg -0.5981164E-03 Ec_ueg -0.1383443E-03 Delta_ex -0.7529996E-03 Delta_ec 0.2149034E-03 Delta_et -0.1320874E-02 Pxc 0.4323391E+01 Qxc -0.3503898E+01 3,+3 53 3 +3 -1.803759 2.606223 -0.001493 Rho 0.1196730E-01 |GRAD(Rho)| 0.1129222E-13 GRAD(Rho)x -0.5236639E-14 GRAD(Rho)y 0.2952229E-14 GRAD(Rho)z -0.9559084E-14 Laplacian 0.5417430E-01 (-1/4)Del**2(Rho)) -0.1354357E-01 Diamond 0.1095614E-02 Metallicity 0.7964284E+00 Ellipticity -0.5809509E+00 Gb(Abramov) 0.1082680E-01 Vb(Abramov) -0.8110020E-02 Hb(Abramov) 0.2716777E-02 Ex_ueg -0.2021684E-02 Ec_ueg -0.4580596E-03 Delta_ex -0.2351513E-02 Delta_ec 0.1506382E-03 Delta_et -0.1554013E-02 Pxc 0.4413582E+01 Qxc -0.1561034E+02 3,+3 54 3 +1 -2.143803 1.702185 -0.052608 Rho 0.2477706E-01 |GRAD(Rho)| 0.3576811E-14 GRAD(Rho)x 0.1443104E-14 GRAD(Rho)y 0.3231741E-14 GRAD(Rho)z -0.5166037E-15 Laplacian 0.9562645E-01 (-1/4)Del**2(Rho)) -0.2390661E-01 Diamond 0.1254590E-01 Metallicity 0.1517463E+01 Ellipticity -0.4181910E+01 Gb(Abramov) 0.2198397E-01 Vb(Abramov) -0.2006133E-01 Hb(Abramov) 0.1922639E-02 Ex_ueg -0.5334798E-02 Ec_ueg -0.1077496E-02 Delta_ex -0.5954374E-02 Delta_ec 0.1660443E-02 Delta_et -0.1461595E-01 Pxc 0.4951108E+01 Qxc -0.3586015E+01 3,+1 55 3 +1 -2.004992 2.910196 0.002102 Rho 0.1254275E-01 |GRAD(Rho)| 0.2581133E-14 GRAD(Rho)x 0.1552279E-14 GRAD(Rho)y -0.2033416E-14 GRAD(Rho)z 0.3433631E-15 Laplacian 0.5914043E-01 (-1/4)Del**2(Rho)) -0.1478511E-01 Diamond 0.2130917E-02 Metallicity 0.7889505E+00 Ellipticity -0.1178762E+01 Gb(Abramov) 0.1180086E-01 Vb(Abramov) -0.8816608E-02 Hb(Abramov) 0.2984249E-02 Ex_ueg -0.2152328E-02 Ec_ueg -0.4846817E-03 Delta_ex -0.2835731E-02 Delta_ec 0.5793529E-03 Delta_et -0.4532533E-02 Pxc 0.4440705E+01 Qxc -0.4894652E+01 3,+1 56 3 -1 -0.214645 -3.358838 -1.570860 Rho 0.4476834E-02 |GRAD(Rho)| 0.4059800E-17 GRAD(Rho)x -0.3991156E-17 GRAD(Rho)y -0.6472286E-18 GRAD(Rho)z 0.3657182E-18 Laplacian 0.1744513E-01 (-1/4)Del**2(Rho)) -0.4361282E-02 Diamond 0.5660512E-03 Metallicity 0.4803495E+00 Ellipticity 0.1205057E+00 Gb(Abramov) 0.3256678E-02 Vb(Abramov) -0.2152074E-02 Hb(Abramov) 0.1104604E-02 Ex_ueg -0.5449371E-03 Ec_ueg -0.1244688E-03 Delta_ex -0.1080954E-02 Delta_ec 0.9630945E-03 Delta_et -0.4890397E-02 Pxc 0.4378103E+01 Qxc -0.1122376E+01 3,-1 57 3 -1 -2.099370 -2.911962 1.651193 Rho 0.2317688E+00 |GRAD(Rho)| 0.5689219E-13 GRAD(Rho)x -0.2435373E-13 GRAD(Rho)y 0.5136928E-13 GRAD(Rho)z 0.2194019E-14 Laplacian 0.8918466E+00 (-1/4)Del**2(Rho)) -0.2229616E+00 Diamond 0.2987173E+01 Metallicity 0.6756910E+01 Ellipticity 0.1197803E-01 Gb(Abramov) 0.3997297E+00 Vb(Abramov) -0.5764978E+00 Hb(Abramov) -0.1767681E+00 Ex_ueg -0.1051458E+00 Ec_ueg -0.1387197E-01 Delta_ex -0.1065694E+00 Delta_ec 0.1953345E-01 Delta_et -0.2686387E+00 Pxc 0.7579727E+01 Qxc -0.5455739E+01 3,-1 58 3 -1 -1.828333 -1.636892 -2.358727 Rho 0.1170191E+00 |GRAD(Rho)| 0.4269135E-15 GRAD(Rho)x 0.2661784E-15 GRAD(Rho)y 0.1822510E-15 GRAD(Rho)z -0.2796225E-15 Laplacian 0.4832935E+00 (-1/4)Del**2(Rho)) -0.1208234E+00 Diamond 0.7279226E+00 Metallicity 0.3991752E+01 Ellipticity 0.1527026E-01 Gb(Abramov) 0.1609317E+00 Vb(Abramov) -0.2010401E+00 Hb(Abramov) -0.4010836E-01 Ex_ueg -0.4227277E-01 Ec_ueg -0.6367073E-02 Delta_ex -0.4889411E-01 Delta_ec 0.1304472E-01 Delta_et -0.1669716E+00 Pxc 0.6639279E+01 Qxc -0.3748193E+01 3,-1 59 3 -1 -1.759330 -1.648584 -0.848538 Rho 0.4032245E-01 |GRAD(Rho)| 0.1922178E-16 GRAD(Rho)x -0.1647945E-16 GRAD(Rho)y -0.8569432E-17 GRAD(Rho)z 0.4946672E-17 Laplacian 0.1632687E+00 (-1/4)Del**2(Rho)) -0.4081717E-01 Diamond 0.6467143E-01 Metallicity 0.2001190E+01 Ellipticity 0.4270828E-01 Gb(Abramov) 0.4082527E-01 Vb(Abramov) -0.4083337E-01 Hb(Abramov) -0.8098761E-05 Ex_ueg -0.1021208E-01 Ec_ueg -0.1887369E-02 Delta_ex -0.1290203E-01 Delta_ec 0.5168745E-02 Delta_et -0.5151531E-01 Pxc 0.5410750E+01 Qxc -0.2496164E+01 3,-1 60 3 +1 -2.192504 -1.744072 -0.238995 Rho 0.2709125E-01 |GRAD(Rho)| 0.2122906E-15 GRAD(Rho)x -0.3133602E-16 GRAD(Rho)y -0.1399266E-15 GRAD(Rho)z -0.1565437E-15 Laplacian 0.1100680E+00 (-1/4)Del**2(Rho)) -0.2751699E-01 Diamond 0.1574042E-01 Metallicity 0.1529915E+01 Ellipticity -0.3167448E+01 Gb(Abramov) 0.2536111E-01 Vb(Abramov) -0.2320522E-01 Hb(Abramov) 0.2155887E-02 Ex_ueg -0.6009299E-02 Ec_ueg -0.1194571E-02 Delta_ex -0.6961393E-02 Delta_ec 0.1808671E-02 Delta_et -0.1629039E-01 Pxc 0.5030508E+01 Qxc -0.3848899E+01 3,+1 61 3 +1 3.021025 0.085804 0.097389 Rho 0.4622415E-02 |GRAD(Rho)| 0.1815157E-13 GRAD(Rho)x 0.5998099E-14 GRAD(Rho)y -0.9731599E-14 GRAD(Rho)z 0.1409958E-13 Laplacian 0.1869191E-01 (-1/4)Del**2(Rho)) -0.4672979E-02 Diamond 0.4291239E-03 Metallicity 0.4728692E+00 Ellipticity -0.5150153E+01 Gb(Abramov) 0.3483604E-02 Vb(Abramov) -0.2294229E-02 Hb(Abramov) 0.1189375E-02 Ex_ueg -0.5686919E-03 Ec_ueg -0.1307002E-03 Delta_ex -0.9534814E-03 Delta_ec 0.6564882E-03 Delta_et -0.3454461E-02 Pxc 0.4351119E+01 Qxc -0.1452397E+01 3,+1 62 3 -1 -1.717996 -1.640782 0.833347 Rho 0.5328090E-01 |GRAD(Rho)| 0.8242700E-16 GRAD(Rho)x -0.6307092E-16 GRAD(Rho)y -0.2223461E-16 GRAD(Rho)z 0.4818601E-16 Laplacian 0.2136354E+00 (-1/4)Del**2(Rho)) -0.5340885E-01 Diamond 0.1199597E+00 Metallicity 0.2433469E+01 Ellipticity 0.1026208E-01 Gb(Abramov) 0.5726737E-01 Vb(Abramov) -0.6112589E-01 Hb(Abramov) -0.3858516E-02 Ex_ueg -0.1480746E-01 Ec_ueg -0.2597017E-02 Delta_ex -0.1794399E-01 Delta_ec 0.6495980E-02 Delta_et -0.6968461E-01 Pxc 0.5701718E+01 Qxc -0.2762321E+01 3,-1 63 3 -1 -1.770823 -1.638463 2.330160 Rho 0.1296663E+00 |GRAD(Rho)| 0.3261936E-15 GRAD(Rho)x -0.1630505E-15 GRAD(Rho)y -0.1333230E-15 GRAD(Rho)z -0.2490819E-15 Laplacian 0.5407561E+00 (-1/4)Del**2(Rho)) -0.1351890E+00 Diamond 0.9313062E+00 Metallicity 0.4233084E+01 Ellipticity 0.1333395E-01 Gb(Abramov) 0.1855038E+00 Vb(Abramov) -0.2358185E+00 Hb(Abramov) -0.5031475E-01 Ex_ueg -0.4847166E-01 Ec_ueg -0.7154868E-02 Delta_ex -0.5618680E-01 Delta_ec 0.1446146E-01 Delta_et -0.1887748E+00 Pxc 0.6774641E+01 Qxc -0.3885278E+01 3,-1 64 3 +1 -0.226349 -2.532616 -1.927009 Rho 0.2824512E-02 |GRAD(Rho)| 0.4078816E-17 GRAD(Rho)x -0.1809018E-17 GRAD(Rho)y -0.3613142E-17 GRAD(Rho)z 0.5562440E-18 Laplacian 0.1134592E-01 (-1/4)Del**2(Rho)) -0.2836479E-02 Diamond 0.1095981E-03 Metallicity 0.3427778E+00 Ellipticity -0.1494416E+01 Gb(Abramov) 0.2053033E-02 Vb(Abramov) -0.1269587E-02 Hb(Abramov) 0.7834461E-03 Ex_ueg -0.2948784E-03 Ec_ueg -0.5452864E-04 Delta_ex -0.4811545E-03 Delta_ec 0.3098973E-03 Delta_et -0.1435956E-02 Pxc 0.5407771E+01 Qxc -0.1552626E+01 3,+1 65 3 +1 -0.172807 -2.565312 1.929760 Rho 0.2895393E-02 |GRAD(Rho)| 0.5858162E-17 GRAD(Rho)x -0.5741314E-17 GRAD(Rho)y 0.1124037E-17 GRAD(Rho)z -0.3031813E-18 Laplacian 0.1142897E-01 (-1/4)Del**2(Rho)) -0.2857242E-02 Diamond 0.1129499E-03 Metallicity 0.3546382E+00 Ellipticity -0.1521720E+01 Gb(Abramov) 0.2073709E-02 Vb(Abramov) -0.1290176E-02 Hb(Abramov) 0.7835328E-03 Ex_ueg -0.3047861E-03 Ec_ueg -0.5749864E-04 Delta_ex -0.4846449E-03 Delta_ec 0.3081074E-03 Delta_et -0.1440252E-02 Pxc 0.5300754E+01 Qxc -0.1572974E+01 3,+1 66 3 -1 -2.801249 -0.929941 -1.674987 Rho 0.6818675E-01 |GRAD(Rho)| 0.2893883E-14 GRAD(Rho)x 0.2567365E-15 GRAD(Rho)y -0.2871880E-14 GRAD(Rho)z -0.2468783E-15 Laplacian 0.2885659E+00 (-1/4)Del**2(Rho)) -0.7214146E-01 Diamond 0.2261874E+00 Metallicity 0.2717700E+01 Ellipticity 0.4409436E-02 Gb(Abramov) 0.8077079E-01 Vb(Abramov) -0.8940011E-01 Hb(Abramov) -0.8629323E-02 Ex_ueg -0.2057398E-01 Ec_ueg -0.3442436E-02 Delta_ex -0.2579490E-01 Delta_ec 0.8738401E-02 Delta_et -0.9980265E-01 Pxc 0.5976577E+01 Qxc -0.2951901E+01 3,-1 67 3 +1 -1.728126 -0.023784 0.750817 Rho 0.9780262E-02 |GRAD(Rho)| 0.4472311E-14 GRAD(Rho)x 0.2895807E-14 GRAD(Rho)y 0.2429302E-14 GRAD(Rho)z -0.2390473E-14 Laplacian 0.4152848E-01 (-1/4)Del**2(Rho)) -0.1038212E-01 Diamond 0.1417967E-02 Metallicity 0.7421948E+00 Ellipticity -0.1480721E+01 Gb(Abramov) 0.8205673E-02 Vb(Abramov) -0.6029226E-02 Hb(Abramov) 0.2176447E-02 Ex_ueg -0.1544729E-02 Ec_ueg -0.3580930E-03 Delta_ex -0.1995823E-02 Delta_ec 0.6477357E-03 Delta_et -0.4526171E-02 Pxc 0.4313766E+01 Qxc -0.3081231E+01 3,+1 68 3 +1 -1.754471 0.009431 2.454782 Rho 0.1166051E-01 |GRAD(Rho)| 0.1701487E-13 GRAD(Rho)x -0.1463826E-13 GRAD(Rho)y 0.2190110E-15 GRAD(Rho)z -0.8670588E-14 Laplacian 0.5687539E-01 (-1/4)Del**2(Rho)) -0.1421885E-01 Diamond 0.2203395E-02 Metallicity 0.7264709E+00 Ellipticity -0.1284841E+01 Gb(Abramov) 0.1120083E-01 Vb(Abramov) -0.8182808E-02 Hb(Abramov) 0.3018019E-02 Ex_ueg -0.1952879E-02 Ec_ueg -0.4439198E-03 Delta_ex -0.2778316E-02 Delta_ec 0.7448478E-03 Delta_et -0.5540845E-02 Pxc 0.4399169E+01 Qxc -0.3730046E+01 3,+1 69 3 +1 -0.644270 -0.860618 -1.529578 Rho 0.9033383E-02 |GRAD(Rho)| 0.2057719E-15 GRAD(Rho)x 0.1433994E-15 GRAD(Rho)y 0.7591272E-16 GRAD(Rho)z 0.1265542E-15 Laplacian 0.3839542E-01 (-1/4)Del**2(Rho)) -0.9598855E-02 Diamond 0.1201640E-02 Metallicity 0.7032090E+00 Ellipticity -0.1470349E+01 Gb(Abramov) 0.7524237E-02 Vb(Abramov) -0.5449619E-02 Hb(Abramov) 0.2074618E-02 Ex_ueg -0.1389480E-02 Ec_ueg -0.3244123E-03 Delta_ex -0.1819490E-02 Delta_ec 0.6178108E-03 Delta_et -0.4214342E-02 Pxc 0.4283068E+01 Qxc -0.2945061E+01 3,+1 70 3 +1 -0.606228 -0.857240 1.534587 Rho 0.9872494E-02 |GRAD(Rho)| 0.1452225E-16 GRAD(Rho)x -0.2311196E-17 GRAD(Rho)y 0.2106240E-17 GRAD(Rho)z -0.1418160E-16 Laplacian 0.4252101E-01 (-1/4)Del**2(Rho)) -0.1063025E-01 Diamond 0.1450757E-02 Metallicity 0.7362993E+00 Ellipticity -0.1452207E+01 Gb(Abramov) 0.8391344E-02 Vb(Abramov) -0.6152434E-02 Hb(Abramov) 0.2238910E-02 Ex_ueg -0.1564183E-02 Ec_ueg -0.3622688E-03 Delta_ex -0.2040934E-02 Delta_ec 0.6499659E-03 Delta_et -0.4562184E-02 Pxc 0.4317742E+01 Qxc -0.3140063E+01 3,+1 71 3 +1 -1.046705 2.421603 0.560883 Rho 0.2351940E-01 |GRAD(Rho)| 0.2825498E-15 GRAD(Rho)x 0.9842610E-16 GRAD(Rho)y 0.2625480E-15 GRAD(Rho)z -0.3486085E-16 Laplacian 0.9246752E-01 (-1/4)Del**2(Rho)) -0.2311688E-01 Diamond 0.1143897E-01 Metallicity 0.1438802E+01 Ellipticity -0.3804507E+01 Gb(Abramov) 0.2095469E-01 Vb(Abramov) -0.1879250E-01 Hb(Abramov) 0.2162190E-02 Ex_ueg -0.4976837E-02 Ec_ueg -0.1014461E-02 Delta_ex -0.5695833E-02 Delta_ec 0.1636386E-02 Delta_et -0.1421117E-01 Pxc 0.4905893E+01 Qxc -0.3480739E+01 3,+1 72 3 +3 -1.179852 -0.019033 -1.565263 Rho 0.4986597E-02 |GRAD(Rho)| 0.4136360E-12 GRAD(Rho)x 0.6487311E-14 GRAD(Rho)y 0.2926089E-12 GRAD(Rho)z -0.2922888E-12 Laplacian 0.2058084E-01 (-1/4)Del**2(Rho)) -0.5145210E-02 Diamond 0.1541632E-03 Metallicity 0.4873309E+00 Ellipticity -0.3404124E+00 Gb(Abramov) 0.3848043E-02 Vb(Abramov) -0.2550877E-02 Hb(Abramov) 0.1297167E-02 Ex_ueg -0.6292030E-03 Ec_ueg -0.1463361E-03 Delta_ex -0.7207449E-03 Delta_ec 0.1089089E-03 Delta_et -0.8090400E-03 Pxc 0.4299712E+01 Qxc -0.6617870E+01 3,+3 73 3 +1 0.519012 1.541934 -0.829711 Rho 0.7466145E-02 |GRAD(Rho)| 0.1094488E-10 GRAD(Rho)x 0.8987812E-11 GRAD(Rho)y 0.3743970E-11 GRAD(Rho)z -0.4999226E-11 Laplacian 0.3083365E-01 (-1/4)Del**2(Rho)) -0.7708413E-02 Diamond 0.7432222E-03 Metallicity 0.6374051E+00 Ellipticity -0.1422764E+01 Gb(Abramov) 0.5957839E-02 Vb(Abramov) -0.4207265E-02 Hb(Abramov) 0.1750574E-02 Ex_ueg -0.1077739E-02 Ec_ueg -0.2545375E-03 Delta_ex -0.1393430E-02 Delta_ec 0.4946472E-03 Delta_et -0.3208325E-02 Pxc 0.4234107E+01 Qxc -0.2817018E+01 3,+1 74 3 +1 -1.755683 -0.037523 -0.751898 Rho 0.8902280E-02 |GRAD(Rho)| 0.9363158E-16 GRAD(Rho)x -0.5574848E-16 GRAD(Rho)y 0.5494665E-16 GRAD(Rho)z -0.5137944E-16 Laplacian 0.3724290E-01 (-1/4)Del**2(Rho)) -0.9310726E-02 Diamond 0.1162861E-02 Metallicity 0.7075195E+00 Ellipticity -0.1504648E+01 Gb(Abramov) 0.7305071E-02 Vb(Abramov) -0.5299415E-02 Hb(Abramov) 0.2005655E-02 Ex_ueg -0.1362658E-02 Ec_ueg -0.3185252E-03 Delta_ex -0.1767202E-02 Delta_ec 0.6148265E-03 Delta_et -0.4166829E-02 Pxc 0.4278022E+01 Qxc -0.2874310E+01 3,+1 75 3 +3 -0.230285 -2.282704 -1.523778 Rho 0.2618079E-02 |GRAD(Rho)| 0.3664214E-17 GRAD(Rho)x -0.3307735E-17 GRAD(Rho)y 0.1574700E-17 GRAD(Rho)z -0.7528683E-19 Laplacian 0.1060299E-01 (-1/4)Del**2(Rho)) -0.2650747E-02 Diamond 0.6532361E-04 Metallicity 0.3232136E+00 Ellipticity -0.4945213E+00 Gb(Abramov) 0.1909957E-02 Vb(Abramov) -0.1169168E-02 Hb(Abramov) 0.7407893E-03 Ex_ueg -0.2664989E-03 Ec_ueg -0.4589477E-04 Delta_ex -0.3835684E-03 Delta_ec 0.1827989E-03 Delta_et -0.8789852E-03 Pxc 0.5806738E+01 Qxc -0.2098307E+01 3,+3 76 3 +3 -0.150416 -2.290801 1.479907 Rho 0.2631839E-02 |GRAD(Rho)| 0.8993274E-15 GRAD(Rho)x -0.4236398E-15 GRAD(Rho)y 0.3173598E-15 GRAD(Rho)z 0.7270501E-15 Laplacian 0.1052799E-01 (-1/4)Del**2(Rho)) -0.2631996E-02 Diamond 0.6713613E-04 Metallicity 0.3283726E+00 Ellipticity -0.5408291E+00 Gb(Abramov) 0.1898710E-02 Vb(Abramov) -0.1165424E-02 Hb(Abramov) 0.7332862E-03 Ex_ueg -0.2683681E-03 Ec_ueg -0.4646954E-04 Delta_ex -0.3852474E-03 Delta_ec 0.1885907E-03 Delta_et -0.9028229E-03 Pxc 0.5775140E+01 Qxc -0.2042770E+01 3,+3 77 3 +1 1.701977 0.774328 0.020953 Rho 0.6217340E-02 |GRAD(Rho)| 0.1172619E-15 GRAD(Rho)x -0.1117475E-15 GRAD(Rho)y -0.1778981E-16 GRAD(Rho)z 0.3076338E-16 Laplacian 0.2466064E-01 (-1/4)Del**2(Rho)) -0.6165160E-02 Diamond 0.4737125E-03 Metallicity 0.5874216E+00 Ellipticity -0.1417442E+01 Gb(Abramov) 0.4713698E-02 Vb(Abramov) -0.3262236E-02 Hb(Abramov) 0.1451462E-02 Ex_ueg -0.8443540E-03 Ec_ueg -0.1996703E-03 Delta_ex -0.1073201E-02 Delta_ec 0.4079775E-03 Delta_et -0.2509644E-02 Pxc 0.4228741E+01 Qxc -0.2630539E+01 3,+1 78 3 -1 -0.584629 -0.676755 -3.206167 Rho 0.1527505E+00 |GRAD(Rho)| 0.5350250E-13 GRAD(Rho)x -0.5155774E-13 GRAD(Rho)y 0.1197642E-13 GRAD(Rho)z 0.7802691E-14 Laplacian 0.6471413E+00 (-1/4)Del**2(Rho)) -0.1617853E+00 Diamond 0.1331796E+01 Metallicity 0.4647848E+01 Ellipticity 0.2250733E-01 Gb(Abramov) 0.2331825E+00 Vb(Abramov) -0.3045796E+00 Hb(Abramov) -0.7139716E-01 Ex_ueg -0.6030621E-01 Ec_ueg -0.8619819E-02 Delta_ex -0.6972502E-01 Delta_ec 0.1619652E-01 Delta_et -0.2157949E+00 Pxc 0.6996226E+01 Qxc -0.4304937E+01 3,-1 79 3 -1 -0.559962 -0.682707 3.195940 Rho 0.1493076E+00 |GRAD(Rho)| 0.1262506E-12 GRAD(Rho)x -0.2935971E-13 GRAD(Rho)y 0.1079931E-12 GRAD(Rho)z -0.5843549E-13 Laplacian 0.6345853E+00 (-1/4)Del**2(Rho)) -0.1586463E+00 Diamond 0.1273365E+01 Metallicity 0.4563097E+01 Ellipticity 0.2077723E-01 Gb(Abramov) 0.2264173E+00 Vb(Abramov) -0.2941883E+00 Hb(Abramov) -0.6777098E-01 Ex_ueg -0.5850068E-01 Ec_ueg -0.8399205E-02 Delta_ex -0.6801596E-01 Delta_ec 0.1602105E-01 Delta_et -0.2129089E+00 Pxc 0.6965026E+01 Qxc -0.4245411E+01 3,-1 80 3 -1 -0.055116 0.004959 -4.465547 Rho 0.2377857E+00 |GRAD(Rho)| 0.3235902E-14 GRAD(Rho)x 0.8722406E-15 GRAD(Rho)y -0.1627159E-15 GRAD(Rho)z 0.3111877E-14 Laplacian 0.8781151E+00 (-1/4)Del**2(Rho)) -0.2195288E+00 Diamond 0.3064316E+01 Metallicity 0.7162061E+01 Ellipticity 0.1647009E-02 Gb(Abramov) 0.4083989E+00 Vb(Abramov) -0.5972691E+00 Hb(Abramov) -0.1888702E+00 Ex_ueg -0.1088010E+00 Ec_ueg -0.1428618E-01 Delta_ex -0.1058007E+00 Delta_ec 0.1938544E-01 Delta_et -0.2681458E+00 Pxc 0.7615819E+01 Qxc -0.5457741E+01 3,-1 81 3 +1 -0.575470 0.798446 -1.561864 Rho 0.8634460E-02 |GRAD(Rho)| 0.1571963E-12 GRAD(Rho)x 0.1466076E-12 GRAD(Rho)y 0.5548827E-13 GRAD(Rho)z -0.1174552E-13 Laplacian 0.3591422E-01 (-1/4)Del**2(Rho)) -0.8978555E-02 Diamond 0.9898745E-03 Metallicity 0.6972770E+00 Ellipticity -0.1402999E+01 Gb(Abramov) 0.7029127E-02 Vb(Abramov) -0.5079698E-02 Hb(Abramov) 0.1949428E-02 Ex_ueg -0.1308274E-02 Ec_ueg -0.3065222E-03 Delta_ex -0.1652901E-02 Delta_ec 0.5241851E-03 Delta_et -0.3571202E-02 Pxc 0.4268120E+01 Qxc -0.3153278E+01 3,+1 82 3 +1 2.108723 -0.105334 1.672732 Rho 0.2052137E-01 |GRAD(Rho)| 0.2466815E-14 GRAD(Rho)x -0.5829129E-16 GRAD(Rho)y -0.3518563E-15 GRAD(Rho)z -0.2440897E-14 Laplacian 0.8107910E-01 (-1/4)Del**2(Rho)) -0.2026977E-01 Diamond 0.9332809E-02 Metallicity 0.1307319E+01 Ellipticity -0.7086553E+01 Gb(Abramov) 0.1792969E-01 Vb(Abramov) -0.1558961E-01 Hb(Abramov) 0.2340082E-02 Ex_ueg -0.4149479E-02 Ec_ueg -0.8659796E-03 Delta_ex -0.4961994E-02 Delta_ec 0.1691220E-02 Delta_et -0.1410230E-01 Pxc 0.4791658E+01 Qxc -0.2933973E+01 3,+1 83 3 +3 -1.150339 -0.001386 1.584231 Rho 0.5278053E-02 |GRAD(Rho)| 0.8404392E-17 GRAD(Rho)x -0.4463188E-17 GRAD(Rho)y 0.3124365E-17 GRAD(Rho)z 0.6399383E-17 Laplacian 0.2196648E-01 (-1/4)Del**2(Rho)) -0.5491620E-02 Diamond 0.1726022E-03 Metallicity 0.5019290E+00 Ellipticity -0.2901927E+00 Gb(Abramov) 0.4120481E-02 Vb(Abramov) -0.2749341E-02 Hb(Abramov) 0.1371140E-02 Ex_ueg -0.6787087E-03 Ec_ueg -0.1588981E-03 Delta_ex -0.7768223E-03 Delta_ec 0.1081651E-03 Delta_et -0.8314782E-03 Pxc 0.4271345E+01 Qxc -0.7181818E+01 3,+3 84 3 +1 -0.561168 0.777982 1.574200 Rho 0.8806480E-02 |GRAD(Rho)| 0.1806529E-15 GRAD(Rho)x -0.1288639E-15 GRAD(Rho)y 0.1003685E-15 GRAD(Rho)z -0.7717334E-16 Laplacian 0.3663597E-01 (-1/4)Del**2(Rho)) -0.9158992E-02 Diamond 0.1032895E-02 Metallicity 0.7063870E+00 Ellipticity -0.1405847E+01 Gb(Abramov) 0.7184294E-02 Vb(Abramov) -0.5209595E-02 Hb(Abramov) 0.1974699E-02 Ex_ueg -0.1343141E-02 Ec_ueg -0.3142280E-03 Delta_ex -0.1692605E-02 Delta_ec 0.5313063E-03 Delta_et -0.3640935E-02 Pxc 0.4274414E+01 Qxc -0.3185742E+01 3,+1 85 3 -1 -0.052238 -0.000423 4.467304 Rho 0.2380426E+00 |GRAD(Rho)| 0.4578099E-13 GRAD(Rho)x 0.8344372E-14 GRAD(Rho)y 0.2776477E-15 GRAD(Rho)z -0.4501326E-13 Laplacian 0.8797486E+00 (-1/4)Del**2(Rho)) -0.2199372E+00 Diamond 0.3072195E+01 Metallicity 0.7161639E+01 Ellipticity 0.1166425E-02 Gb(Abramov) 0.4091432E+00 Vb(Abramov) -0.5983492E+00 Hb(Abramov) -0.1892060E+00 Ex_ueg -0.1089577E+00 Ec_ueg -0.1430391E-01 Delta_ex -0.1060177E+00 Delta_ec 0.1939788E-01 Delta_et -0.2682515E+00 Pxc 0.7617338E+01 Qxc -0.5465425E+01 3,-1 86 3 -1 -0.566104 0.715514 -3.210970 Rho 0.1396587E+00 |GRAD(Rho)| 0.1837471E-13 GRAD(Rho)x 0.1787725E-13 GRAD(Rho)y 0.6207600E-15 GRAD(Rho)z 0.4201026E-14 Laplacian 0.5829755E+00 (-1/4)Del**2(Rho)) -0.1457439E+00 Diamond 0.1084916E+01 Metallicity 0.4443680E+01 Ellipticity 0.9468377E-02 Gb(Abramov) 0.2051025E+00 Vb(Abramov) -0.2644610E+00 Hb(Abramov) -0.5935858E-01 Ex_ueg -0.5351502E-01 Ec_ueg -0.7784844E-02 Delta_ex -0.6152870E-01 Delta_ec 0.1506642E-01 Delta_et -0.1985219E+00 Pxc 0.6874257E+01 Qxc -0.4083830E+01 3,-1 87 3 -1 -0.429552 0.451362 0.010189 Rho 0.1947785E+00 |GRAD(Rho)| 0.4641673E-11 GRAD(Rho)x 0.2479192E-11 GRAD(Rho)y -0.3921539E-11 GRAD(Rho)z -0.1423536E-12 Laplacian 0.6388573E+00 (-1/4)Del**2(Rho)) -0.1597143E+00 Diamond 0.1958929E+01 Metallicity 0.7059559E+01 Ellipticity 0.1190850E-02 Gb(Abramov) 0.2943950E+00 Vb(Abramov) -0.4290757E+00 Hb(Abramov) -0.1346807E+00 Ex_ueg -0.8338854E-01 Ec_ueg -0.1136935E-01 Delta_ex -0.7455373E-01 Delta_ec 0.1749850E-01 Delta_et -0.2478401E+00 Pxc 0.7334501E+01 Qxc -0.4260579E+01 3,-1 88 3 -1 -0.558799 0.711127 3.212795 Rho 0.1441884E+00 |GRAD(Rho)| 0.4820237E-15 GRAD(Rho)x 0.3561740E-15 GRAD(Rho)y -0.2305556E-15 GRAD(Rho)z 0.2287599E-15 Laplacian 0.6025014E+00 (-1/4)Del**2(Rho)) -0.1506254E+00 Diamond 0.1163239E+01 Metallicity 0.4534599E+01 Ellipticity 0.1116389E-01 Gb(Abramov) 0.2142545E+00 Vb(Abramov) -0.2778837E+00 Hb(Abramov) -0.6362915E-01 Ex_ueg -0.5584172E-01 Ec_ueg -0.8072531E-02 Delta_ex -0.6406726E-01 Delta_ec 0.1541551E-01 Delta_et -0.2040126E+00 Pxc 0.6917498E+01 Qxc -0.4156025E+01 3,-1 89 3 -1 1.698296 0.817262 1.572269 Rho 0.2569165E-01 |GRAD(Rho)| 0.1048854E-15 GRAD(Rho)x -0.6700015E-16 GRAD(Rho)y -0.7524358E-16 GRAD(Rho)z -0.2916039E-16 Laplacian 0.1020488E+00 (-1/4)Del**2(Rho)) -0.2551219E-01 Diamond 0.2064819E-01 Metallicity 0.1510516E+01 Ellipticity 0.7298230E-01 Gb(Abramov) 0.2343089E-01 Vb(Abramov) -0.2134959E-01 Hb(Abramov) 0.2081302E-02 Ex_ueg -0.5598964E-02 Ec_ueg -0.1123600E-02 Delta_ex -0.7104468E-02 Delta_ec 0.3001321E-02 Delta_et -0.2640064E-01 Pxc 0.4983057E+01 Qxc -0.2367113E+01 3,-1 90 3 +1 1.352795 -0.819600 2.201727 Rho 0.2583136E-01 |GRAD(Rho)| 0.1570563E-15 GRAD(Rho)x -0.1019234E-15 GRAD(Rho)y 0.9591092E-16 GRAD(Rho)z -0.7126996E-16 Laplacian 0.1004312E+00 (-1/4)Del**2(Rho)) -0.2510780E-01 Diamond 0.1332910E-01 Metallicity 0.1548781E+01 Ellipticity -0.3327061E+01 Gb(Abramov) 0.2321961E-01 Vb(Abramov) -0.2133143E-01 Hb(Abramov) 0.1888187E-02 Ex_ueg -0.5639597E-02 Ec_ueg -0.1130662E-02 Delta_ex -0.6258385E-02 Delta_ec 0.1627886E-02 Delta_et -0.1450070E-01 Pxc 0.4987870E+01 Qxc -0.3844486E+01 3,+1 91 3 +3 0.043444 1.622675 1.621394 Rho 0.4262810E-02 |GRAD(Rho)| 0.1109563E-15 GRAD(Rho)x 0.5554106E-16 GRAD(Rho)y -0.9339997E-16 GRAD(Rho)z -0.2242645E-16 Laplacian 0.1769745E-01 (-1/4)Del**2(Rho)) -0.4424364E-02 Diamond 0.1363227E-03 Metallicity 0.4363775E+00 Ellipticity -0.3234137E+00 Gb(Abramov) 0.3271358E-02 Vb(Abramov) -0.2118352E-02 Hb(Abramov) 0.1153006E-02 Ex_ueg -0.5104811E-03 Ec_ueg -0.1153278E-03 Delta_ex -0.6275410E-03 Delta_ec 0.1537529E-03 Delta_et -0.9613955E-03 Pxc 0.4426351E+01 Qxc -0.4081491E+01 3,+3 92 3 +1 -0.199145 -2.559975 1.167615 Rho 0.2734488E-02 |GRAD(Rho)| 0.4726971E-18 GRAD(Rho)x -0.3866747E-18 GRAD(Rho)y 0.1019839E-18 GRAD(Rho)z 0.2520408E-18 Laplacian 0.1082539E-01 (-1/4)Del**2(Rho)) -0.2706349E-02 Diamond 0.8765026E-04 Metallicity 0.3403791E+00 Ellipticity -0.1315300E+01 Gb(Abramov) 0.1957763E-02 Vb(Abramov) -0.1209178E-02 Hb(Abramov) 0.7485854E-03 Ex_ueg -0.2824142E-03 Ec_ueg -0.5076057E-04 Delta_ex -0.4304313E-03 Delta_ec 0.2494351E-03 Delta_et -0.1166733E-02 Pxc 0.5563653E+01 Qxc -0.1725625E+01 3,+1 93 3 +1 2.057037 0.052690 2.858220 Rho 0.1215738E-01 |GRAD(Rho)| 0.2729350E-16 GRAD(Rho)x 0.4489749E-17 GRAD(Rho)y 0.2652193E-16 GRAD(Rho)z -0.4622220E-17 Laplacian 0.5706708E-01 (-1/4)Del**2(Rho)) -0.1426677E-01 Diamond 0.2051604E-02 Metallicity 0.7761775E+00 Ellipticity -0.1215931E+01 Gb(Abramov) 0.1135677E-01 Vb(Abramov) -0.8446772E-02 Hb(Abramov) 0.2909999E-02 Ex_ueg -0.2064613E-02 Ec_ueg -0.4668393E-03 Delta_ex -0.2736287E-02 Delta_ec 0.6006218E-03 Delta_et -0.4624946E-02 Pxc 0.4422534E+01 Qxc -0.4555757E+01 3,+1 94 3 +1 1.333053 0.753578 -2.161754 Rho 0.2261430E-01 |GRAD(Rho)| 0.5573018E-15 GRAD(Rho)x -0.3593948E-16 GRAD(Rho)y -0.5172508E-15 GRAD(Rho)z -0.2043165E-15 Laplacian 0.8460882E-01 (-1/4)Del**2(Rho)) -0.2115220E-01 Diamond 0.9078515E-02 Metallicity 0.1472887E+01 Ellipticity -0.2907996E+01 Gb(Abramov) 0.1929394E-01 Vb(Abramov) -0.1743567E-01 Hb(Abramov) 0.1858267E-02 Ex_ueg -0.4723123E-02 Ec_ueg -0.9693645E-03 Delta_ex -0.5053941E-02 Delta_ec 0.1311424E-02 Delta_et -0.1133070E-01 Pxc 0.4872391E+01 Qxc -0.3853782E+01 3,+1 95 3 -1 1.684197 0.809689 -1.541857 Rho 0.2969192E-01 |GRAD(Rho)| 0.7038168E-14 GRAD(Rho)x 0.1349136E-15 GRAD(Rho)y -0.7035147E-14 GRAD(Rho)z -0.1559013E-15 Laplacian 0.1109185E+00 (-1/4)Del**2(Rho)) -0.2772961E-01 Diamond 0.2631991E-01 Metallicity 0.1768777E+01 Ellipticity 0.4298094E-01 Gb(Abramov) 0.2666100E-01 Vb(Abramov) -0.2559238E-01 Hb(Abramov) 0.1068619E-02 Ex_ueg -0.6790516E-02 Ec_ueg -0.1327727E-02 Delta_ex -0.7909780E-02 Delta_ec 0.3105434E-02 Delta_et -0.2845213E-01 Pxc 0.5114392E+01 Qxc -0.2547078E+01 3,-1 96 3 +1 1.394738 0.784241 2.133567 Rho 0.2052567E-01 |GRAD(Rho)| 0.1395125E-15 GRAD(Rho)x 0.1054147E-15 GRAD(Rho)y 0.9134673E-16 GRAD(Rho)z 0.2694960E-17 Laplacian 0.7713576E-01 (-1/4)Del**2(Rho)) -0.1928394E-01 Diamond 0.6870053E-02 Metallicity 0.1374631E+01 Ellipticity -0.2288361E+01 Gb(Abramov) 0.1727401E-01 Vb(Abramov) -0.1526408E-01 Hb(Abramov) 0.2009928E-02 Ex_ueg -0.4150638E-02 Ec_ueg -0.8661907E-03 Delta_ex -0.4436771E-02 Delta_ec 0.1101652E-02 Delta_et -0.9334086E-02 Pxc 0.4791829E+01 Qxc -0.4027380E+01 3,+1 97 3 +1 2.104173 -0.285783 -1.667286 Rho 0.1985851E-01 |GRAD(Rho)| 0.2900043E-16 GRAD(Rho)x 0.2807987E-16 GRAD(Rho)y -0.6616283E-17 GRAD(Rho)z 0.2961526E-17 Laplacian 0.7475355E-01 (-1/4)Del**2(Rho)) -0.1868839E-01 Diamond 0.6737878E-02 Metallicity 0.1342433E+01 Ellipticity -0.2521295E+01 Gb(Abramov) 0.1664024E-01 Vb(Abramov) -0.1459210E-01 Hb(Abramov) 0.2048145E-02 Ex_ueg -0.3971739E-02 Ec_ueg -0.8335064E-03 Delta_ex -0.4317126E-02 Delta_ec 0.1166869E-02 Delta_et -0.9765100E-02 Pxc 0.4765097E+01 Qxc -0.3699753E+01 3,+1 98 3 -1 1.833257 2.374466 -1.554576 Rho 0.1316193E+00 |GRAD(Rho)| 0.2867988E-14 GRAD(Rho)x 0.1529647E-14 GRAD(Rho)y -0.2135268E-14 GRAD(Rho)z 0.1151592E-14 Laplacian 0.5539936E+00 (-1/4)Del**2(Rho)) -0.1384984E+00 Diamond 0.9594104E+00 Metallicity 0.4236181E+01 Ellipticity 0.1182556E-01 Gb(Abramov) 0.1901163E+00 Vb(Abramov) -0.2417342E+00 Hb(Abramov) -0.5161791E-01 Ex_ueg -0.4944753E-01 Ec_ueg -0.7277485E-02 Delta_ex -0.5762728E-01 Delta_ec 0.1450922E-01 Delta_et -0.1893926E+00 Pxc 0.6794590E+01 Qxc -0.3971770E+01 3,-1 99 3 +1 1.786144 2.542221 0.011474 Rho 0.1227470E-01 |GRAD(Rho)| 0.1649531E-14 GRAD(Rho)x -0.4490539E-15 GRAD(Rho)y 0.1584978E-14 GRAD(Rho)z -0.8453913E-16 Laplacian 0.6147598E-01 (-1/4)Del**2(Rho)) -0.1536899E-01 Diamond 0.2514874E-02 Metallicity 0.7321378E+00 Ellipticity -0.1246647E+01 Gb(Abramov) 0.1212137E-01 Vb(Abramov) -0.8873739E-02 Hb(Abramov) 0.3247628E-02 Ex_ueg -0.2091220E-02 Ec_ueg -0.4722651E-03 Delta_ex -0.3032593E-02 Delta_ec 0.7848642E-03 Delta_et -0.5927747E-02 Pxc 0.4428064E+01 Qxc -0.3863844E+01 3,+1 100 3 -1 1.839553 2.395936 1.575727 Rho 0.1262069E+00 |GRAD(Rho)| 0.2607213E-12 GRAD(Rho)x 0.2149475E-12 GRAD(Rho)y -0.1172277E-12 GRAD(Rho)z 0.8961488E-13 Laplacian 0.5287361E+00 (-1/4)Del**2(Rho)) -0.1321840E+00 Diamond 0.8588892E+00 Metallicity 0.4138532E+01 Ellipticity 0.1156623E-01 Gb(Abramov) 0.1792973E+00 Vb(Abramov) -0.2264106E+00 Hb(Abramov) -0.4711329E-01 Ex_ueg -0.4675514E-01 Ec_ueg -0.6938301E-02 Delta_ex -0.5429959E-01 Delta_ec 0.1372450E-01 Delta_et -0.1774556E+00 Pxc 0.6738702E+01 Qxc -0.3956399E+01 3,-1 101 3 -1 2.835374 1.748349 -0.866855 Rho 0.1445825E+00 |GRAD(Rho)| 0.1479063E-14 GRAD(Rho)x -0.1460698E-14 GRAD(Rho)y -0.2313620E-15 GRAD(Rho)z 0.2141299E-16 Laplacian 0.6034690E+00 (-1/4)Del**2(Rho)) -0.1508672E+00 Diamond 0.1171970E+01 Metallicity 0.4547974E+01 Ellipticity 0.1834035E-01 Gb(Abramov) 0.2149349E+00 Vb(Abramov) -0.2790025E+00 Hb(Abramov) -0.6406763E-01 Ex_ueg -0.5604534E-01 Ec_ueg -0.8097625E-02 Delta_ex -0.6424478E-01 Delta_ec 0.1548662E-01 Delta_et -0.2051591E+00 Pxc 0.6921207E+01 Qxc -0.4148405E+01 3,-1 102 3 +3 2.323516 0.081941 0.010687 Rho 0.3693982E-02 |GRAD(Rho)| 0.1694491E-17 GRAD(Rho)x -0.2705271E-18 GRAD(Rho)y 0.1066147E-17 GRAD(Rho)z 0.1288971E-17 Laplacian 0.1519866E-01 (-1/4)Del**2(Rho)) -0.3799665E-02 Diamond 0.9981117E-04 Metallicity 0.4002204E+00 Ellipticity -0.3202653E+00 Gb(Abramov) 0.2786561E-02 Vb(Abramov) -0.1773456E-02 Hb(Abramov) 0.1013104E-02 Ex_ueg -0.4217400E-03 Ec_ueg -0.9114987E-04 Delta_ex -0.5243736E-03 Delta_ec 0.1404716E-03 Delta_et -0.8361623E-03 Pxc 0.4626885E+01 Qxc -0.3732950E+01 3,+3 103 3 -1 2.832474 1.766616 0.895625 Rho 0.1263731E+00 |GRAD(Rho)| 0.7261072E-16 GRAD(Rho)x -0.1749631E-16 GRAD(Rho)y -0.4217208E-16 GRAD(Rho)z 0.5645983E-16 Laplacian 0.5266519E+00 (-1/4)Del**2(Rho)) -0.1316630E+00 Diamond 0.8605535E+00 Metallicity 0.4164029E+01 Ellipticity 0.1655811E-01 Gb(Abramov) 0.1791501E+00 Vb(Abramov) -0.2266371E+00 Hb(Abramov) -0.4748709E-01 Ex_ueg -0.4683722E-01 Ec_ueg -0.6948683E-02 Delta_ex -0.5414898E-01 Delta_ec 0.1374872E-01 Delta_et -0.1779571E+00 Pxc 0.6740446E+01 Qxc -0.3938474E+01 3,-1 104 3 +1 1.730109 -2.816152 0.020839 Rho 0.7287611E-02 |GRAD(Rho)| 0.1285297E-12 GRAD(Rho)x -0.1203438E-12 GRAD(Rho)y 0.1306910E-13 GRAD(Rho)z 0.4320239E-13 Laplacian 0.3294481E-01 (-1/4)Del**2(Rho)) -0.8236202E-02 Diamond 0.1087601E-02 Metallicity 0.5729739E+00 Ellipticity -0.1857910E+01 Gb(Abramov) 0.6277323E-02 Vb(Abramov) -0.4318444E-02 Hb(Abramov) 0.1958879E-02 Ex_ueg -0.1043515E-02 Ec_ueg -0.2466485E-03 Delta_ex -0.1659427E-02 Delta_ec 0.8487043E-03 Delta_et -0.5230654E-02 Pxc 0.4230777E+01 Qxc -0.1955247E+01 3,+1 105 3 -1 3.226455 2.334218 -2.232695 Rho 0.2370447E+00 |GRAD(Rho)| 0.3764645E-14 GRAD(Rho)x -0.3129062E-14 GRAD(Rho)y -0.1437652E-14 GRAD(Rho)z -0.1521407E-14 Laplacian 0.8511704E+00 (-1/4)Del**2(Rho)) -0.2127926E+00 Diamond 0.2979585E+01 Metallicity 0.7350445E+01 Ellipticity 0.6741995E-02 Gb(Abramov) 0.4025485E+00 Vb(Abramov) -0.5923044E+00 Hb(Abramov) -0.1897559E+00 Ex_ueg -0.1083491E+00 Ec_ueg -0.1423506E-01 Delta_ex -0.1025813E+00 Delta_ec 0.1900538E-01 Delta_et -0.2637207E+00 Pxc 0.7611426E+01 Qxc -0.5397488E+01 3,-1 106 3 -1 3.217627 2.369440 2.254262 Rho 0.2263641E+00 |GRAD(Rho)| 0.4798868E-15 GRAD(Rho)x 0.2801578E-15 GRAD(Rho)y 0.2656837E-15 GRAD(Rho)z 0.2849825E-15 Laplacian 0.7972864E+00 (-1/4)Del**2(Rho)) -0.1993216E+00 Diamond 0.2654170E+01 Metallicity 0.7266825E+01 Ellipticity 0.7043332E-02 Gb(Abramov) 0.3742869E+00 Vb(Abramov) -0.5492522E+00 Hb(Abramov) -0.1749653E+00 Ex_ueg -0.1018893E+00 Ec_ueg -0.1350160E-01 Delta_ex -0.9502268E-01 Delta_ec 0.1818430E-01 Delta_et -0.2523662E+00 Pxc 0.7546460E+01 Qxc -0.5225534E+01 3,-1 107 3 -1 1.901418 -2.548189 -1.639527 Rho 0.2253502E+00 |GRAD(Rho)| 0.3293962E-14 GRAD(Rho)x 0.2058575E-14 GRAD(Rho)y 0.2457669E-14 GRAD(Rho)z -0.7565156E-15 Laplacian 0.8572701E+00 (-1/4)Del**2(Rho)) -0.2143175E+00 Diamond 0.2788221E+01 Metallicity 0.6707985E+01 Ellipticity 0.1923750E-01 Gb(Abramov) 0.3824848E+00 Vb(Abramov) -0.5506521E+00 Hb(Abramov) -0.1681673E+00 Ex_ueg -0.1012812E+00 Ec_ueg -0.1343230E-01 Delta_ex -0.1017621E+00 Delta_ec 0.1905796E-01 Delta_et -0.2623395E+00 Pxc 0.7540128E+01 Qxc -0.5339611E+01 3,-1 108 3 -1 3.296651 -2.272777 2.219985 Rho 0.2304230E+00 |GRAD(Rho)| 0.1714774E-10 GRAD(Rho)x 0.1378035E-10 GRAD(Rho)y -0.7598688E-11 GRAD(Rho)z 0.6812250E-11 Laplacian 0.8396295E+00 (-1/4)Del**2(Rho)) -0.2099074E+00 Diamond 0.2836577E+01 Metallicity 0.7107800E+01 Ellipticity 0.1672056E-01 Gb(Abramov) 0.3886015E+00 Vb(Abramov) -0.5672957E+00 Hb(Abramov) -0.1786941E+00 Ex_ueg -0.1043325E+00 Ec_ueg -0.1377960E-01 Delta_ex -0.1004245E+00 Delta_ec 0.1886221E-01 Delta_et -0.2612364E+00 Pxc 0.7571519E+01 Qxc -0.5324110E+01 3,-1 109 3 +1 -2.996032 -0.345216 -0.016119 Rho 0.5155449E-02 |GRAD(Rho)| 0.1597605E-14 GRAD(Rho)x 0.1423232E-14 GRAD(Rho)y -0.7257720E-15 GRAD(Rho)z 0.2482295E-17 Laplacian 0.2102568E-01 (-1/4)Del**2(Rho)) -0.5256420E-02 Diamond 0.3670945E-03 Metallicity 0.5042439E+00 Ellipticity -0.1443939E+01 Gb(Abramov) 0.3946033E-02 Vb(Abramov) -0.2635646E-02 Hb(Abramov) 0.1310387E-02 Ex_ueg -0.6577695E-03 Ec_ueg -0.1536085E-03 Delta_ex -0.9233709E-03 Delta_ec 0.4331711E-03 Delta_et -0.2466431E-02 Pxc 0.4282116E+01 Qxc -0.2131654E+01 3,+1 110 3 -1 -1.709890 1.510810 0.843759 Rho 0.4386735E-01 |GRAD(Rho)| 0.5552547E-13 GRAD(Rho)x 0.7247536E-14 GRAD(Rho)y 0.1341954E-13 GRAD(Rho)z -0.5338976E-13 Laplacian 0.1720893E+00 (-1/4)Del**2(Rho)) -0.4302232E-01 Diamond 0.7238337E-01 Metallicity 0.2184884E+01 Ellipticity 0.2245701E-01 Gb(Abramov) 0.4434801E-01 Vb(Abramov) -0.4567370E-01 Hb(Abramov) -0.1325690E-02 Ex_ueg -0.1142634E-01 Ec_ueg -0.2078798E-02 Delta_ex -0.1367549E-01 Delta_ec 0.5074134E-02 Delta_et -0.5168026E-01 Pxc 0.5496605E+01 Qxc -0.2695137E+01 3,-1 111 3 -1 -2.987704 2.047518 0.792579 Rho 0.1405083E+00 |GRAD(Rho)| 0.7027369E-12 GRAD(Rho)x -0.2897843E-12 GRAD(Rho)y 0.1455728E-12 GRAD(Rho)z -0.6234363E-12 Laplacian 0.5554554E+00 (-1/4)Del**2(Rho)) -0.1388639E+00 Diamond 0.1045665E+01 Metallicity 0.4711223E+01 Ellipticity 0.3813543E-01 Gb(Abramov) 0.2016123E+00 Vb(Abramov) -0.2643608E+00 Hb(Abramov) -0.6274849E-01 Ex_ueg -0.5394951E-01 Ec_ueg -0.7838702E-02 Delta_ex -0.5875869E-01 Delta_ec 0.1441949E-01 Delta_et -0.1903505E+00 Pxc 0.6882455E+01 Qxc -0.4074948E+01 3,-1 112 3 -1 -0.159196 -3.384391 1.575547 Rho 0.4456304E-02 |GRAD(Rho)| 0.6277207E-17 GRAD(Rho)x 0.6198526E-17 GRAD(Rho)y 0.6245826E-18 GRAD(Rho)z -0.7690878E-18 Laplacian 0.1703494E-01 (-1/4)Del**2(Rho)) -0.4258734E-02 Diamond 0.5377587E-03 Metallicity 0.4881619E+00 Ellipticity 0.1316414E+00 Gb(Abramov) 0.3185648E-02 Vb(Abramov) -0.2112562E-02 Hb(Abramov) 0.1073086E-02 Ex_ueg -0.5416076E-03 Ec_ueg -0.1235909E-03 Delta_ex -0.1042267E-02 Delta_ec 0.9180468E-03 Delta_et -0.4660148E-02 Pxc 0.4382262E+01 Qxc -0.1135310E+01 3,-1 113 3 -1 -3.273027 -2.186193 -2.314378 Rho 0.2196431E+00 |GRAD(Rho)| 0.6378077E-15 GRAD(Rho)x 0.3192433E-15 GRAD(Rho)y 0.1579412E-15 GRAD(Rho)z 0.5290907E-15 Laplacian 0.8014774E+00 (-1/4)Del**2(Rho)) -0.2003694E+00 Diamond 0.2557832E+01 Metallicity 0.6874657E+01 Ellipticity 0.1821951E-01 Gb(Abramov) 0.3631580E+00 Vb(Abramov) -0.5259466E+00 Hb(Abramov) -0.1627886E+00 Ex_ueg -0.9787574E-01 Ec_ueg -0.1304326E-01 Delta_ex -0.9468967E-01 Delta_ec 0.1827377E-01 Delta_et -0.2525219E+00 Pxc 0.7503932E+01 Qxc -0.5181726E+01 3,-1 114 3 -1 -3.214830 -2.183435 2.275677 Rho 0.2291183E+00 |GRAD(Rho)| 0.2115136E-14 GRAD(Rho)x 0.1485249E-14 GRAD(Rho)y 0.3909769E-15 GRAD(Rho)z -0.1454295E-14 Laplacian 0.8518911E+00 (-1/4)Del**2(Rho)) -0.2129728E+00 Diamond 0.2846935E+01 Metallicity 0.6939508E+01 Ellipticity 0.2217526E-01 Gb(Abramov) 0.3883029E+00 Vb(Abramov) -0.5636330E+00 Hb(Abramov) -0.1753301E+00 Ex_ueg -0.1035455E+00 Ec_ueg -0.1369014E-01 Delta_ex -0.1016760E+00 Delta_ec 0.1905321E-01 Delta_et -0.2633301E+00 Pxc 0.7563514E+01 Qxc -0.5336422E+01 3,-1 115 3 -1 -3.006524 -2.097005 -0.815630 Rho 0.1337030E+00 |GRAD(Rho)| 0.5632359E-13 GRAD(Rho)x 0.2098343E-13 GRAD(Rho)y -0.1236939E-14 GRAD(Rho)z -0.5225430E-13 Laplacian 0.5079744E+00 (-1/4)Del**2(Rho)) -0.1269936E+00 Diamond 0.9017061E+00 Metallicity 0.4742490E+01 Ellipticity 0.4543733E-01 Gb(Abramov) 0.1850400E+00 Vb(Abramov) -0.2430865E+00 Hb(Abramov) -0.5804645E-01 Ex_ueg -0.5049400E-01 Ec_ueg -0.7408580E-02 Delta_ex -0.5310209E-01 Delta_ec 0.1336237E-01 Delta_et -0.1750702E+00 Pxc 0.6815611E+01 Qxc -0.3974003E+01 3,-1 116 3 -1 -2.979813 -2.093063 0.776928 Rho 0.1385134E+00 |GRAD(Rho)| 0.6427741E-12 GRAD(Rho)x 0.2592631E-12 GRAD(Rho)y -0.2594767E-15 GRAD(Rho)z 0.5881676E-12 Laplacian 0.5343019E+00 (-1/4)Del**2(Rho)) -0.1335755E+00 Diamond 0.9992932E+00 Metallicity 0.4782404E+01 Ellipticity 0.4009321E-01 Gb(Abramov) 0.1955189E+00 Vb(Abramov) -0.2574624E+00 Hb(Abramov) -0.6194348E-01 Ex_ueg -0.5293069E-01 Ec_ueg -0.7712312E-02 Delta_ex -0.5644205E-01 Delta_ec 0.1412782E-01 Delta_et -0.1865194E+00 Pxc 0.6863141E+01 Qxc -0.3995101E+01 3,-1 117 3 -1 -2.751270 -0.928700 1.639451 Rho 0.7568145E-01 |GRAD(Rho)| 0.9931766E-16 GRAD(Rho)x 0.6517326E-16 GRAD(Rho)y -0.7429157E-16 GRAD(Rho)z 0.9859358E-17 Laplacian 0.3167612E+00 (-1/4)Del**2(Rho)) -0.7919031E-01 Diamond 0.2812317E+00 Metallicity 0.2945757E+01 Ellipticity 0.4651808E-02 Gb(Abramov) 0.9167277E-01 Vb(Abramov) -0.1041552E+00 Hb(Abramov) -0.1248246E-01 Ex_ueg -0.2364309E-01 Ec_ueg -0.3877246E-02 Delta_ex -0.2896502E-01 Delta_ec 0.9368940E-02 Delta_et -0.1096310E+00 Pxc 0.6097910E+01 Qxc -0.3091600E+01 3,-1 118 3 +1 -1.089593 2.397154 -0.580729 Rho 0.2309250E-01 |GRAD(Rho)| 0.3612662E-16 GRAD(Rho)x -0.4946968E-17 GRAD(Rho)y -0.3499285E-16 GRAD(Rho)z -0.7494027E-17 Laplacian 0.9115814E-01 (-1/4)Del**2(Rho)) -0.2278953E-01 Diamond 0.1153544E-01 Metallicity 0.1415585E+01 Ellipticity -0.5042397E+01 Gb(Abramov) 0.2056978E-01 Vb(Abramov) -0.1835002E-01 Hb(Abramov) 0.2219756E-02 Ex_ueg -0.4856757E-02 Ec_ueg -0.9931625E-03 Delta_ex -0.5653136E-02 Delta_ec 0.1729365E-02 Delta_et -0.1491804E-01 Pxc 0.4890194E+01 Qxc -0.3268908E+01 3,+1 119 3 +1 -1.784430 0.022151 -2.469362 Rho 0.1157229E-01 |GRAD(Rho)| 0.2075382E-16 GRAD(Rho)x 0.1012198E-17 GRAD(Rho)y 0.2051933E-16 GRAD(Rho)z -0.2941669E-17 Laplacian 0.5634791E-01 (-1/4)Del**2(Rho)) -0.1408698E-01 Diamond 0.2183757E-02 Metallicity 0.7240481E+00 Ellipticity -0.1295703E+01 Gb(Abramov) 0.1109126E-01 Vb(Abramov) -0.8095543E-02 Hb(Abramov) 0.2995718E-02 Ex_ueg -0.1933203E-02 Ec_ueg -0.4398605E-03 Delta_ex -0.2754160E-02 Delta_ec 0.7506122E-03 Delta_et -0.5563467E-02 Pxc 0.4395036E+01 Qxc -0.3669218E+01 3,+1 120 3 -1 -0.473685 -0.584407 0.010824 Rho 0.2058851E+00 |GRAD(Rho)| 0.4751970E-12 GRAD(Rho)x -0.4110254E-12 GRAD(Rho)y 0.2384321E-12 GRAD(Rho)z 0.4526104E-14 Laplacian 0.7536210E+00 (-1/4)Del**2(Rho)) -0.1884052E+00 Diamond 0.2432826E+01 Metallicity 0.6563999E+01 Ellipticity 0.3515558E-01 Gb(Abramov) 0.3317188E+00 Vb(Abramov) -0.4750323E+00 Hb(Abramov) -0.1433135E+00 Ex_ueg -0.8978801E-01 Ec_ueg -0.1211282E-01 Delta_ex -0.8892274E-01 Delta_ec 0.1991868E-01 Delta_et -0.2827778E+00 Pxc 0.7412646E+01 Qxc -0.4464289E+01 3,-1 121 3 +3 0.010833 1.633180 -1.605526 Rho 0.4320563E-02 |GRAD(Rho)| 0.5802952E-17 GRAD(Rho)x -0.4776415E-17 GRAD(Rho)y -0.3127740E-17 GRAD(Rho)z 0.1037958E-17 Laplacian 0.1802863E-01 (-1/4)Del**2(Rho)) -0.4507156E-02 Diamond 0.1411342E-03 Metallicity 0.4380776E+00 Ellipticity -0.3344429E+00 Gb(Abramov) 0.3333852E-02 Vb(Abramov) -0.2160547E-02 Hb(Abramov) 0.1173305E-02 Ex_ueg -0.5197232E-03 Ec_ueg -0.1177920E-03 Delta_ex -0.6411548E-03 Delta_ec 0.1560284E-03 Delta_et -0.9796348E-03 Pxc 0.4412210E+01 Qxc -0.4109219E+01 3,+3 122 3 +1 1.377575 -0.856980 -2.156811 Rho 0.2389290E-01 |GRAD(Rho)| 0.7347579E-14 GRAD(Rho)x 0.4974643E-14 GRAD(Rho)y -0.5185468E-14 GRAD(Rho)z -0.1533222E-14 Laplacian 0.9281421E-01 (-1/4)Del**2(Rho)) -0.2320355E-01 Diamond 0.1037815E-01 Metallicity 0.1471567E+01 Ellipticity -0.2460610E+01 Gb(Abramov) 0.2115997E-01 Vb(Abramov) -0.1911638E-01 Hb(Abramov) 0.2043587E-02 Ex_ueg -0.5082493E-02 Ec_ueg -0.1033136E-02 Delta_ex -0.5584718E-02 Delta_ec 0.1363396E-02 Delta_et -0.1195756E-01 Pxc 0.4919480E+01 Qxc -0.4096182E+01 3,+1 123 3 +1 0.542008 1.534359 0.856813 Rho 0.7158207E-02 |GRAD(Rho)| 0.4193320E-15 GRAD(Rho)x -0.4004949E-16 GRAD(Rho)y -0.2176774E-15 GRAD(Rho)z 0.3561628E-15 Laplacian 0.2930033E-01 (-1/4)Del**2(Rho)) -0.7325082E-02 Diamond 0.6800389E-03 Metallicity 0.6252895E+00 Ellipticity -0.1436662E+01 Gb(Abramov) 0.5646770E-02 Vb(Abramov) -0.3968459E-02 Hb(Abramov) 0.1678311E-02 Ex_ueg -0.1018882E-02 Ec_ueg -0.2409397E-03 Delta_ex -0.1318137E-02 Delta_ec 0.4834337E-03 Delta_et -0.3090410E-02 Pxc 0.4228786E+01 Qxc -0.2726614E+01 3,+1 124 3 +1 -0.094976 2.196534 2.012945 Rho 0.5293814E-02 |GRAD(Rho)| 0.1927750E-16 GRAD(Rho)x 0.9624156E-17 GRAD(Rho)y 0.9947128E-17 GRAD(Rho)z -0.1341836E-16 Laplacian 0.2184543E-01 (-1/4)Del**2(Rho)) -0.5461357E-02 Diamond 0.5743016E-03 Metallicity 0.5072248E+00 Ellipticity -0.4290665E+01 Gb(Abramov) 0.4102594E-02 Vb(Abramov) -0.2743831E-02 Hb(Abramov) 0.1358763E-02 Ex_ueg -0.6814123E-03 Ec_ueg -0.1595787E-03 Delta_ex -0.1119051E-02 Delta_ec 0.7250945E-03 Delta_et -0.3991002E-02 Pxc 0.4270072E+01 Qxc -0.1543318E+01 3,+1 125 3 +3 1.123918 1.498927 0.026602 Rho 0.4025254E-02 |GRAD(Rho)| 0.6042859E-12 GRAD(Rho)x -0.5995024E-12 GRAD(Rho)y -0.7583114E-13 GRAD(Rho)z 0.2820147E-14 Laplacian 0.1627143E-01 (-1/4)Del**2(Rho)) -0.4067857E-02 Diamond 0.9820108E-04 Metallicity 0.4313631E+00 Ellipticity -0.1252276E+00 Gb(Abramov) 0.3004359E-02 Vb(Abramov) -0.1940860E-02 Hb(Abramov) 0.1063498E-02 Ex_ueg -0.4729075E-03 Ec_ueg -0.1052097E-03 Delta_ex -0.5465690E-03 Delta_ec 0.1020510E-03 Delta_et -0.6881221E-03 Pxc 0.4494902E+01 Qxc -0.5355841E+01 3,+3 126 3 +1 -0.122393 2.214836 -1.992721 Rho 0.5367513E-02 |GRAD(Rho)| 0.1166180E-16 GRAD(Rho)x -0.4561516E-17 GRAD(Rho)y -0.6726222E-17 GRAD(Rho)z -0.8363500E-17 Laplacian 0.2232535E-01 (-1/4)Del**2(Rho)) -0.5581337E-02 Diamond 0.5808877E-03 Metallicity 0.5078905E+00 Ellipticity -0.3258798E+01 Gb(Abramov) 0.4193343E-02 Vb(Abramov) -0.2805348E-02 Hb(Abramov) 0.1387994E-02 Ex_ueg -0.6940901E-03 Ec_ueg -0.1627625E-03 Delta_ex -0.1132266E-02 Delta_ec 0.7153207E-03 Delta_et -0.3963428E-02 Pxc 0.4264435E+01 Qxc -0.1582879E+01 3,+1 127 3 -1 0.859234 -0.687378 -3.480336 Rho 0.1493890E+00 |GRAD(Rho)| 0.1240115E-15 GRAD(Rho)x 0.6272110E-16 GRAD(Rho)y -0.1000177E-15 GRAD(Rho)z -0.3796571E-16 Laplacian 0.5958300E+00 (-1/4)Del**2(Rho)) -0.1489575E+00 Diamond 0.1199967E+01 Metallicity 0.4864318E+01 Ellipticity 0.5793043E-01 Gb(Abramov) 0.2200678E+00 Vb(Abramov) -0.2911780E+00 Hb(Abramov) -0.7111027E-01 Ex_ueg -0.5854322E-01 Ec_ueg -0.8404414E-02 Delta_ex -0.6390657E-01 Delta_ec 0.1510469E-01 Delta_et -0.2008941E+00 Pxc 0.6965771E+01 Qxc -0.4230910E+01 3,-1 128 3 -1 0.880975 -0.672023 3.480697 Rho 0.1463491E+00 |GRAD(Rho)| 0.4683722E-15 GRAD(Rho)x 0.4233538E-15 GRAD(Rho)y -0.1980024E-15 GRAD(Rho)z 0.3064396E-16 Laplacian 0.5864408E+00 (-1/4)Del**2(Rho)) -0.1466102E+00 Diamond 0.1151517E+01 Metallicity 0.4775722E+01 Ellipticity 0.5671312E-01 Gb(Abramov) 0.2144351E+00 Vb(Abramov) -0.2822600E+00 Hb(Abramov) -0.6782487E-01 Ex_ueg -0.5696024E-01 Ec_ueg -0.8210215E-02 Delta_ex -0.6257539E-01 Delta_ec 0.1492906E-01 Delta_et -0.1979529E+00 Pxc 0.6937728E+01 Qxc -0.4191516E+01 3,-1 129 3 -1 1.478036 -3.085872 0.026478 Rho 0.7661572E-02 |GRAD(Rho)| 0.2454830E-16 GRAD(Rho)x -0.2081910E-16 GRAD(Rho)y 0.8343424E-17 GRAD(Rho)z -0.9978546E-17 Laplacian 0.3159504E-01 (-1/4)Del**2(Rho)) -0.7898760E-02 Diamond 0.1721276E-02 Metallicity 0.6494177E+00 Ellipticity 0.5136289E+00 Gb(Abramov) 0.6120772E-02 Vb(Abramov) -0.4342785E-02 Hb(Abramov) 0.1777988E-02 Ex_ueg -0.1115515E-02 Ec_ueg -0.2631899E-03 Delta_ex -0.1927022E-02 Delta_ec 0.1381984E-02 Delta_et -0.8381649E-02 Pxc 0.4238443E+01 Qxc -0.1394388E+01 3,-1 130 3 -1 1.945784 -2.570504 1.676696 Rho 0.2354943E+00 |GRAD(Rho)| 0.1278720E-13 GRAD(Rho)x -0.2321223E-14 GRAD(Rho)y 0.9982358E-14 GRAD(Rho)z 0.7647013E-14 Laplacian 0.9035766E+00 (-1/4)Del**2(Rho)) -0.2258942E+00 Diamond 0.3093528E+01 Metallicity 0.6848818E+01 Ellipticity 0.1148988E-01 Gb(Abramov) 0.4084474E+00 Vb(Abramov) -0.5910007E+00 Hb(Abramov) -0.1825533E+00 Ex_ueg -0.1074053E+00 Ec_ueg -0.1412821E-01 Delta_ex -0.1084676E+00 Delta_ec 0.1977938E-01 Delta_et -0.2725245E+00 Pxc 0.7602189E+01 Qxc -0.5483875E+01 3,-1 131 3 -1 1.983983 -1.553128 -2.683374 Rho 0.1189671E+00 |GRAD(Rho)| 0.2169428E-13 GRAD(Rho)x -0.1839471E-13 GRAD(Rho)y 0.1149997E-13 GRAD(Rho)z 0.1647039E-15 Laplacian 0.4565655E+00 (-1/4)Del**2(Rho)) -0.1141414E+00 Diamond 0.7039307E+00 Metallicity 0.4343319E+01 Ellipticity 0.2704116E-01 Gb(Abramov) 0.1587196E+00 Vb(Abramov) -0.2032979E+00 Hb(Abramov) -0.4457828E-01 Ex_ueg -0.4321366E-01 Ec_ueg -0.6487697E-02 Delta_ex -0.4640536E-01 Delta_ec 0.1233608E-01 Delta_et -0.1584604E+00 Pxc 0.6660863E+01 Qxc -0.3761758E+01 3,-1 132 3 -1 1.643489 -0.961228 -1.523347 Rho 0.3298023E-01 |GRAD(Rho)| 0.1637575E-15 GRAD(Rho)x -0.1215115E-15 GRAD(Rho)y 0.1047417E-15 GRAD(Rho)z 0.3287308E-16 Laplacian 0.1306060E+00 (-1/4)Del**2(Rho)) -0.3265151E-01 Diamond 0.3890860E-01 Metallicity 0.1789531E+01 Ellipticity 0.4439958E-01 Gb(Abramov) 0.3150616E-01 Vb(Abramov) -0.3036080E-01 Hb(Abramov) 0.1145355E-02 Ex_ueg -0.7811298E-02 Ec_ueg -0.1498331E-02 Delta_ex -0.9794818E-02 Delta_ec 0.4077329E-02 Delta_et -0.3844379E-01 Pxc 0.5213335E+01 Qxc -0.2402263E+01 3,-1 133 3 +1 1.672838 -0.790756 -0.012275 Rho 0.8147673E-02 |GRAD(Rho)| 0.5152987E-17 GRAD(Rho)x 0.5064299E-17 GRAD(Rho)y 0.8752435E-18 GRAD(Rho)z -0.3742887E-18 Laplacian 0.3450966E-01 (-1/4)Del**2(Rho)) -0.8627414E-02 Diamond 0.9190178E-03 Metallicity 0.6587619E+00 Ellipticity -0.1408855E+01 Gb(Abramov) 0.6698844E-02 Vb(Abramov) -0.4770275E-02 Hb(Abramov) 0.1928569E-02 Ex_ueg -0.1210867E-02 Ec_ueg -0.2847874E-03 Delta_ex -0.1584726E-02 Delta_ec 0.5383730E-03 Delta_et -0.3585342E-02 Pxc 0.4251828E+01 Qxc -0.2943546E+01 3,+1 134 3 -1 1.657973 -0.957396 1.527236 Rho 0.3672212E-01 |GRAD(Rho)| 0.4193070E-14 GRAD(Rho)x 0.1511751E-15 GRAD(Rho)y -0.4185220E-14 GRAD(Rho)z 0.2071637E-15 Laplacian 0.1391142E+00 (-1/4)Del**2(Rho)) -0.3477855E-01 Diamond 0.4609421E-01 Metallicity 0.2009654E+01 Ellipticity 0.4572114E-01 Gb(Abramov) 0.3483450E-01 Vb(Abramov) -0.3489046E-01 Hb(Abramov) -0.5595629E-04 Ex_ueg -0.9014784E-02 Ec_ueg -0.1695277E-02 Delta_ex -0.1058714E-01 Delta_ec 0.4123774E-02 Delta_et -0.4004260E-01 Pxc 0.5317589E+01 Qxc -0.2567343E+01 3,-1 135 3 -1 2.009105 -1.529238 2.692727 Rho 0.1294426E+00 |GRAD(Rho)| 0.1911795E-12 GRAD(Rho)x -0.4925078E-13 GRAD(Rho)y -0.1506239E-12 GRAD(Rho)z -0.1069412E-12 Laplacian 0.5030958E+00 (-1/4)Del**2(Rho)) -0.1257739E+00 Diamond 0.8658673E+00 Metallicity 0.4536884E+01 Ellipticity 0.2237559E-01 Gb(Abramov) 0.1789529E+00 Vb(Abramov) -0.2321319E+00 Hb(Abramov) -0.5317899E-01 Ex_ueg -0.4836018E-01 Ec_ueg -0.7140838E-02 Delta_ex -0.5226683E-01 Delta_ec 0.1348616E-01 Delta_et -0.1760409E+00 Pxc 0.6772340E+01 Qxc -0.3875591E+01 3,-1 136 3 +3 1.840582 -0.013162 -2.522935 Rho 0.1143620E-01 |GRAD(Rho)| 0.2250943E-12 GRAD(Rho)x -0.9101796E-13 GRAD(Rho)y -0.1933860E-12 GRAD(Rho)z -0.7060468E-13 Laplacian 0.5152745E-01 (-1/4)Del**2(Rho)) -0.1288186E-01 Diamond 0.1022044E-02 Metallicity 0.7763264E+00 Ellipticity -0.4578102E+00 Gb(Abramov) 0.1025466E-01 Vb(Abramov) -0.7627465E-02 Hb(Abramov) 0.2627199E-02 Ex_ueg -0.1902951E-02 Ec_ueg -0.4336052E-03 Delta_ex -0.2220256E-02 Delta_ec 0.1677353E-03 Delta_et -0.1637657E-02 Pxc 0.4388672E+01 Qxc -0.1323666E+02 3,+3 137 3 -1 -1.968154 2.693236 1.504185 Rho 0.1226214E+00 |GRAD(Rho)| 0.4983901E-12 GRAD(Rho)x -0.2709612E-12 GRAD(Rho)y 0.3499587E-12 GRAD(Rho)z 0.2291322E-12 Laplacian 0.4902371E+00 (-1/4)Del**2(Rho)) -0.1225593E+00 Diamond 0.7787482E+00 Metallicity 0.4254198E+01 Ellipticity 0.2049550E-01 Gb(Abramov) 0.1686048E+00 Vb(Abramov) -0.2146502E+00 Hb(Abramov) -0.4604547E-01 Ex_ueg -0.4499252E-01 Ec_ueg -0.6714690E-02 Delta_ex -0.5012184E-01 Delta_ec 0.1303409E-01 Delta_et -0.1681130E+00 Pxc 0.6700610E+01 Qxc -0.3845442E+01 3,-1 138 3 +3 1.842870 0.036897 2.527724 Rho 0.1145173E-01 |GRAD(Rho)| 0.1077460E-16 GRAD(Rho)x -0.1326097E-17 GRAD(Rho)y -0.7745228E-18 GRAD(Rho)z 0.1066459E-16 Laplacian 0.5177260E-01 (-1/4)Del**2(Rho)) -0.1294315E-01 Diamond 0.1007969E-02 Metallicity 0.7743999E+00 Ellipticity -0.4385711E+00 Gb(Abramov) 0.1029930E-01 Vb(Abramov) -0.7655441E-02 Hb(Abramov) 0.2643854E-02 Ex_ueg -0.1906397E-02 Ec_ueg -0.4343186E-03 Delta_ex -0.2225288E-02 Delta_ec 0.1570591E-03 Delta_et -0.1569575E-02 Pxc 0.4389398E+01 Qxc -0.1416848E+02 3,+3 139 3 +1 -0.295568 -2.600609 -1.149313 Rho 0.2802527E-02 |GRAD(Rho)| 0.1319185E-16 GRAD(Rho)x -0.3778236E-18 GRAD(Rho)y -0.8937236E-17 GRAD(Rho)z -0.9695775E-17 Laplacian 0.1124953E-01 (-1/4)Del**2(Rho)) -0.2812384E-02 Diamond 0.9041517E-04 Metallicity 0.3412414E+00 Ellipticity -0.1303117E+01 Gb(Abramov) 0.2034873E-02 Vb(Abramov) -0.1257362E-02 Hb(Abramov) 0.7775109E-03 Ex_ueg -0.2918221E-03 Ec_ueg -0.5360802E-04 Delta_ex -0.4419782E-03 Delta_ec 0.2458515E-03 Delta_et -0.1165903E-02 Pxc 0.5443628E+01 Qxc -0.1797744E+01 3,+1 140 3 -1 0.573072 3.266583 0.682078 Rho 0.1342237E+00 |GRAD(Rho)| 0.2382578E-13 GRAD(Rho)x 0.2021869E-13 GRAD(Rho)y -0.1197936E-13 GRAD(Rho)z -0.3920109E-14 Laplacian 0.5551586E+00 (-1/4)Del**2(Rho)) -0.1387896E+00 Diamond 0.9742648E+00 Metallicity 0.4367619E+01 Ellipticity 0.1668655E-01 Gb(Abramov) 0.1935565E+00 Vb(Abramov) -0.2483233E+00 Hb(Abramov) -0.5476683E-01 Ex_ueg -0.5075638E-01 Ec_ueg -0.7441386E-02 Delta_ex -0.5790647E-01 Delta_ec 0.1426384E-01 Delta_et -0.1863639E+00 Pxc 0.6820823E+01 Qxc -0.4059670E+01 3,-1 141 3 -1 0.077767 4.538646 -0.004899 Rho 0.2252749E+00 |GRAD(Rho)| 0.1972367E-14 GRAD(Rho)x -0.3838753E-15 GRAD(Rho)y -0.1934650E-14 GRAD(Rho)z -0.1949235E-18 Laplacian 0.8044785E+00 (-1/4)Del**2(Rho)) -0.2011196E+00 Diamond 0.2653887E+01 Metallicity 0.7144196E+01 Ellipticity 0.3569822E-03 Gb(Abramov) 0.3735527E+00 Vb(Abramov) -0.5459859E+00 Hb(Abramov) -0.1724331E+00 Ex_ueg -0.1012361E+00 Ec_ueg -0.1342715E-01 Delta_ex -0.9570970E-01 Delta_ec 0.1828338E-01 Delta_et -0.2533105E+00 Pxc 0.7539657E+01 Qxc -0.5234794E+01 3,-1 142 3 -1 2.961391 -0.837603 -1.969924 Rho 0.7596128E-01 |GRAD(Rho)| 0.8545195E-13 GRAD(Rho)x 0.4661669E-13 GRAD(Rho)y 0.4896949E-13 GRAD(Rho)z 0.5225810E-13 Laplacian 0.3099017E+00 (-1/4)Del**2(Rho)) -0.7747544E-01 Diamond 0.2739781E+00 Metallicity 0.3029537E+01 Ellipticity 0.1829275E-02 Gb(Abramov) 0.9076941E-01 Vb(Abramov) -0.1040634E+00 Hb(Abramov) -0.1329397E-01 Ex_ueg -0.2375973E-01 Ec_ueg -0.3893594E-02 Delta_ex -0.2830205E-01 Delta_ec 0.9053528E-02 Delta_et -0.1059518E+00 Pxc 0.6102261E+01 Qxc -0.3126080E+01 3,-1 143 3 -1 2.788369 -1.722976 -0.858763 Rho 0.1283768E+00 |GRAD(Rho)| 0.3195462E-13 GRAD(Rho)x -0.6644564E-14 GRAD(Rho)y -0.4018087E-14 GRAD(Rho)z -0.3099681E-13 Laplacian 0.5199707E+00 (-1/4)Del**2(Rho)) -0.1299927E+00 Diamond 0.8720206E+00 Metallicity 0.4329576E+01 Ellipticity 0.8838625E-02 Gb(Abramov) 0.1804640E+00 Vb(Abramov) -0.2309353E+00 Hb(Abramov) -0.5047131E-01 Ex_ueg -0.4783002E-01 Ec_ueg -0.7074050E-02 Delta_ex -0.5374083E-01 Delta_ec 0.1365840E-01 Delta_et -0.1774911E+00 Pxc 0.6761336E+01 Qxc -0.3934637E+01 3,-1 144 3 -1 2.803265 -1.710392 0.863651 Rho 0.1454154E+00 |GRAD(Rho)| 0.1474872E-12 GRAD(Rho)x 0.9560003E-13 GRAD(Rho)y 0.1032676E-12 GRAD(Rho)z -0.4414622E-13 Laplacian 0.5917201E+00 (-1/4)Del**2(Rho)) -0.1479300E+00 Diamond 0.1163083E+01 Metallicity 0.4682891E+01 Ellipticity 0.8888728E-02 Gb(Abramov) 0.2140767E+00 Vb(Abramov) -0.2802234E+00 Hb(Abramov) -0.6614669E-01 Ex_ueg -0.5647620E-01 Ec_ueg -0.8150681E-02 Delta_ex -0.6314460E-01 Delta_ec 0.1527446E-01 Delta_et -0.2027610E+00 Pxc 0.6929017E+01 Qxc -0.4134000E+01 3,-1 145 3 -1 2.973968 -0.804166 1.978858 Rho 0.8035194E-01 |GRAD(Rho)| 0.9207165E-16 GRAD(Rho)x 0.1964778E-16 GRAD(Rho)y 0.8252811E-16 GRAD(Rho)z -0.3578079E-16 Laplacian 0.3247391E+00 (-1/4)Del**2(Rho)) -0.8118478E-01 Diamond 0.3079381E+00 Metallicity 0.3174966E+01 Ellipticity 0.7717799E-03 Gb(Abramov) 0.9708301E-01 Vb(Abramov) -0.1129812E+00 Hb(Abramov) -0.1589823E-01 Ex_ueg -0.2560827E-01 Ec_ueg -0.4151118E-02 Delta_ex -0.3004966E-01 Delta_ec 0.9402562E-02 Delta_et -0.1114541E+00 Pxc 0.6169005E+01 Qxc -0.3195902E+01 3,-1 146 3 -1 -1.976809 2.697789 -1.507381 Rho 0.1197472E+00 |GRAD(Rho)| 0.3903263E-15 GRAD(Rho)x -0.9398678E-17 GRAD(Rho)y -0.3862064E-15 GRAD(Rho)z -0.5577543E-16 Laplacian 0.4802152E+00 (-1/4)Del**2(Rho)) -0.1200538E+00 Diamond 0.7415228E+00 Metallicity 0.4174644E+01 Ellipticity 0.1640504E-01 Gb(Abramov) 0.1635662E+00 Vb(Abramov) -0.2070785E+00 Hb(Abramov) -0.4351238E-01 Ex_ueg -0.4359186E-01 Ec_ueg -0.6536073E-02 Delta_ex -0.4882168E-01 Delta_ec 0.1284221E-01 Delta_et -0.1649677E+00 Pxc 0.6669428E+01 Qxc -0.3801656E+01 3,-1 147 3 -1 -1.716515 1.513792 -0.841652 Rho 0.4039354E-01 |GRAD(Rho)| 0.6044666E-13 GRAD(Rho)x 0.1740696E-13 GRAD(Rho)y -0.4878563E-13 GRAD(Rho)z 0.3115699E-13 Laplacian 0.1562535E+00 (-1/4)Del**2(Rho)) -0.3906338E-01 Diamond 0.5843743E-01 Metallicity 0.2097184E+01 Ellipticity 0.1803816E-01 Gb(Abramov) 0.3969610E-01 Vb(Abramov) -0.4032883E-01 Hb(Abramov) -0.6327253E-03 Ex_ueg -0.1023610E-01 Ec_ueg -0.1891186E-02 Delta_ex -0.1214657E-01 Delta_ec 0.4578059E-02 Delta_et -0.4560790E-01 Pxc 0.5412526E+01 Qxc -0.2653214E+01 3,-1 148 3 -1 -0.818089 3.524625 0.703827 Rho 0.1396682E+00 |GRAD(Rho)| 0.1545009E-11 GRAD(Rho)x -0.1100485E-11 GRAD(Rho)y -0.1540151E-12 GRAD(Rho)z 0.1073437E-11 Laplacian 0.5467145E+00 (-1/4)Del**2(Rho)) -0.1366786E+00 Diamond 0.1007263E+01 Metallicity 0.4738947E+01 Ellipticity 0.4685224E-01 Gb(Abramov) 0.1990712E+00 Vb(Abramov) -0.2614638E+00 Hb(Abramov) -0.6239259E-01 Ex_ueg -0.5351989E-01 Ec_ueg -0.7785448E-02 Delta_ex -0.5759024E-01 Delta_ec 0.1392848E-01 Delta_et -0.1831135E+00 Pxc 0.6874349E+01 Qxc -0.4134712E+01 3,-1 149 3 -1 -0.822009 3.528059 -0.702169 Rho 0.1424191E+00 |GRAD(Rho)| 0.1775639E-11 GRAD(Rho)x -0.1276524E-11 GRAD(Rho)y -0.1716132E-12 GRAD(Rho)z -0.1222265E-11 Laplacian 0.5599903E+00 (-1/4)Del**2(Rho)) -0.1399976E+00 Diamond 0.1055395E+01 Metallicity 0.4779470E+01 Ellipticity 0.4912473E-01 Gb(Abramov) 0.2048507E+00 Vb(Abramov) -0.2697039E+00 Hb(Abramov) -0.6485316E-01 Ex_ueg -0.5492997E-01 Ec_ueg -0.7960007E-02 Delta_ex -0.5926225E-01 Delta_ec 0.1418353E-01 Delta_et -0.1869671E+00 Pxc 0.6900744E+01 Qxc -0.4178243E+01 3,-1 150 3 +1 2.044879 0.010293 -2.839380 Rho 0.1205018E-01 |GRAD(Rho)| 0.2570871E-16 GRAD(Rho)x -0.4349223E-17 GRAD(Rho)y -0.2531181E-16 GRAD(Rho)z 0.1155081E-17 Laplacian 0.5625172E-01 (-1/4)Del**2(Rho)) -0.1406293E-01 Diamond 0.2002285E-02 Metallicity 0.7758902E+00 Ellipticity -0.1219191E+01 Gb(Abramov) 0.1119383E-01 Vb(Abramov) -0.8324739E-02 Hb(Abramov) 0.2869095E-02 Ex_ueg -0.2040375E-02 Ec_ueg -0.4618862E-03 Delta_ex -0.2692007E-02 Delta_ec 0.5943507E-03 Delta_et -0.4565314E-02 Pxc 0.4417484E+01 Qxc -0.4529324E+01 3,+1 151 3 -1 0.573524 3.258529 -0.680440 Rho 0.1358613E+00 |GRAD(Rho)| 0.4762934E-14 GRAD(Rho)x -0.3093554E-14 GRAD(Rho)y 0.2198294E-14 GRAD(Rho)z 0.2878015E-14 Laplacian 0.5652772E+00 (-1/4)Del**2(Rho)) -0.1413193E+00 Diamond 0.1005403E+01 Metallicity 0.4377017E+01 Ellipticity 0.1894578E-01 Gb(Abramov) 0.1973057E+00 Vb(Abramov) -0.2532921E+00 Hb(Abramov) -0.5598640E-01 Ex_ueg -0.5158375E-01 Ec_ueg -0.7544675E-02 Delta_ex -0.5912260E-01 Delta_ec 0.1445718E-01 Delta_et -0.1891929E+00 Pxc 0.6837107E+01 Qxc -0.4089496E+01 3,-1 152 3 -1 0.452106 -0.039637 -2.347941 Rho 0.4752743E-01 |GRAD(Rho)| 0.4698787E-13 GRAD(Rho)x 0.3517274E-13 GRAD(Rho)y 0.3110189E-13 GRAD(Rho)z 0.1846736E-14 Laplacian 0.1882294E+00 (-1/4)Del**2(Rho)) -0.4705734E-01 Diamond 0.8889596E-01 Metallicity 0.2282967E+01 Ellipticity 0.1165700E-01 Gb(Abramov) 0.4927662E-01 Vb(Abramov) -0.5149590E-01 Hb(Abramov) -0.2219278E-02 Ex_ueg -0.1271484E-01 Ec_ueg -0.2278662E-02 Delta_ex -0.1528976E-01 Delta_ec 0.5596970E-02 Delta_et -0.5823618E-01 Pxc 0.5579958E+01 Qxc -0.2731793E+01 3,-1 153 3 -1 0.464037 -0.045199 2.354031 Rho 0.4802959E-01 |GRAD(Rho)| 0.1489977E-12 GRAD(Rho)x -0.6961296E-13 GRAD(Rho)y 0.8610009E-13 GRAD(Rho)z -0.9970522E-13 Laplacian 0.1899654E+00 (-1/4)Del**2(Rho)) -0.4749135E-01 Diamond 0.9085874E-01 Metallicity 0.2302078E+01 Ellipticity 0.1169929E-01 Gb(Abramov) 0.4988237E-01 Vb(Abramov) -0.5227338E-01 Hb(Abramov) -0.2391019E-02 Ex_ueg -0.1289427E-01 Ec_ueg -0.2306250E-02 Delta_ex -0.1546481E-01 Delta_ec 0.5636117E-02 Delta_et -0.5880266E-01 Pxc 0.5591014E+01 Qxc -0.2743877E+01 3,-1 154 3 -1 0.835663 0.738334 3.473193 Rho 0.1408566E+00 |GRAD(Rho)| 0.1354206E-15 GRAD(Rho)x -0.7136761E-16 GRAD(Rho)y 0.1120794E-15 GRAD(Rho)z 0.2614621E-16 Laplacian 0.5587333E+00 (-1/4)Del**2(Rho)) -0.1396833E+00 Diamond 0.1051723E+01 Metallicity 0.4702954E+01 Ellipticity 0.3849808E-01 Gb(Abramov) 0.2026096E+00 Vb(Abramov) -0.2655358E+00 Hb(Abramov) -0.6292626E-01 Ex_ueg -0.5412793E-01 Ec_ueg -0.7860800E-02 Delta_ex -0.5910590E-01 Delta_ec 0.1443307E-01 Delta_et -0.1904699E+00 Pxc 0.6885804E+01 Qxc -0.4095173E+01 3,-1 155 3 -1 3.241647 -2.326536 -2.206613 Rho 0.2197657E+00 |GRAD(Rho)| 0.2843333E-13 GRAD(Rho)x 0.1507025E-13 GRAD(Rho)y -0.2324581E-13 GRAD(Rho)z -0.6401103E-14 Laplacian 0.7935168E+00 (-1/4)Del**2(Rho)) -0.1983792E+00 Diamond 0.2538773E+01 Metallicity 0.6950085E+01 Ellipticity 0.1567026E-01 Gb(Abramov) 0.3620448E+00 Vb(Abramov) -0.5257105E+00 Hb(Abramov) -0.1636656E+00 Ex_ueg -0.9794859E-01 Ec_ueg -0.1305160E-01 Delta_ex -0.9379051E-01 Delta_ec 0.1813906E-01 Delta_et -0.2508633E+00 Pxc 0.7504720E+01 Qxc -0.5170637E+01 3,-1 156 3 -1 0.280661 -0.082711 -0.506944 Rho 0.1975043E+00 |GRAD(Rho)| 0.9441672E-16 GRAD(Rho)x 0.7825549E-16 GRAD(Rho)y 0.3908846E-17 GRAD(Rho)z -0.5268126E-16 Laplacian 0.6595500E+00 (-1/4)Del**2(Rho)) -0.1648875E+00 Diamond 0.2068344E+01 Metallicity 0.6998309E+01 Ellipticity 0.2802482E-02 Gb(Abramov) 0.3022473E+00 Vb(Abramov) -0.4396071E+00 Hb(Abramov) -0.1373598E+00 Ex_ueg -0.8494814E-01 Ec_ueg -0.1155118E-01 Delta_ex -0.7731608E-01 Delta_ec 0.1814878E-01 Delta_et -0.2579484E+00 Pxc 0.7354067E+01 Qxc -0.4260126E+01 3,-1 157 3 -1 -0.504587 2.395025 0.004035 Rho 0.3319626E-01 |GRAD(Rho)| 0.7044364E-16 GRAD(Rho)x 0.7682430E-17 GRAD(Rho)y 0.6999001E-16 GRAD(Rho)z 0.2164231E-17 Laplacian 0.1356133E+00 (-1/4)Del**2(Rho)) -0.3390331E-01 Diamond 0.4011958E-01 Metallicity 0.1742313E+01 Ellipticity 0.1396389E-01 Gb(Abramov) 0.3244724E-01 Vb(Abramov) -0.3099117E-01 Hb(Abramov) 0.1456074E-02 Ex_ueg -0.7879594E-02 Ec_ueg -0.1509622E-02 Delta_ex -0.1013871E-01 Delta_ec 0.4148379E-02 Delta_et -0.3918464E-01 Pxc 0.5219582E+01 Qxc -0.2444017E+01 3,-1 158 3 -1 1.989112 1.534720 -2.679338 Rho 0.1387706E+00 |GRAD(Rho)| 0.1868084E-15 GRAD(Rho)x 0.1519103E-15 GRAD(Rho)y 0.8756627E-16 GRAD(Rho)z 0.6444227E-16 Laplacian 0.5485660E+00 (-1/4)Del**2(Rho)) -0.1371415E+00 Diamond 0.1017118E+01 Metallicity 0.4672471E+01 Ellipticity 0.2569063E-01 Gb(Abramov) 0.1982260E+00 Vb(Abramov) -0.2593104E+00 Hb(Abramov) -0.6108445E-01 Ex_ueg -0.5306176E-01 Ec_ueg -0.7728592E-02 Delta_ex -0.5785178E-01 Delta_ec 0.1427869E-01 Delta_et -0.1881238E+00 Pxc 0.6865644E+01 Qxc -0.4051617E+01 3,-1 159 3 -1 1.992592 1.561439 2.704202 Rho 0.1297054E+00 |GRAD(Rho)| 0.5979030E-15 GRAD(Rho)x 0.4380041E-15 GRAD(Rho)y 0.3360010E-16 GRAD(Rho)z -0.4056000E-15 Laplacian 0.5088837E+00 (-1/4)Del**2(Rho)) -0.1272209E+00 Diamond 0.8601028E+00 Metallicity 0.4500472E+01 Ellipticity 0.3768556E-01 Gb(Abramov) 0.1802397E+00 Vb(Abramov) -0.2332584E+00 Hb(Abramov) -0.5301874E-01 Ex_ueg -0.4849115E-01 Ec_ueg -0.7157321E-02 Delta_ex -0.5267788E-01 Delta_ec 0.1324911E-01 Delta_et -0.1723025E+00 Pxc 0.6775042E+01 Qxc -0.3975956E+01 3,-1 160 3 -1 -1.801479 1.568549 2.360944 Rho 0.1376596E+00 |GRAD(Rho)| 0.1014289E-15 GRAD(Rho)x -0.4422190E-16 GRAD(Rho)y 0.5226532E-16 GRAD(Rho)z -0.7483705E-16 Laplacian 0.5715981E+00 (-1/4)Del**2(Rho)) -0.1428995E+00 Diamond 0.1052883E+01 Metallicity 0.4424526E+01 Ellipticity 0.9077945E-02 Gb(Abramov) 0.2006434E+00 Vb(Abramov) -0.2583874E+00 Hb(Abramov) -0.5774392E-01 Ex_ueg -0.5249612E-01 Ec_ueg -0.7658295E-02 Delta_ex -0.6019947E-01 Delta_ec 0.1497188E-01 Delta_et -0.1971431E+00 Pxc 0.6854805E+01 Qxc -0.4020834E+01 3,-1 161 3 -1 -1.808915 1.577889 -2.369602 Rho 0.1421234E+00 |GRAD(Rho)| 0.1273791E-13 GRAD(Rho)x -0.1020246E-13 GRAD(Rho)y 0.5516414E-14 GRAD(Rho)z 0.5266227E-14 Laplacian 0.5890399E+00 (-1/4)Del**2(Rho)) -0.1472600E+00 Diamond 0.1126188E+01 Metallicity 0.4528050E+01 Ellipticity 0.1023626E-01 Gb(Abramov) 0.2093068E+00 Vb(Abramov) -0.2713535E+00 Hb(Abramov) -0.6204677E-01 Ex_ueg -0.5477797E-01 Ec_ueg -0.7941222E-02 Delta_ex -0.6250616E-01 Delta_ec 0.1528648E-01 Delta_et -0.2022229E+00 Pxc 0.6897927E+01 Qxc -0.4088984E+01 3,-1 162 3 -1 0.831480 0.726702 -3.455072 Rho 0.1391488E+00 |GRAD(Rho)| 0.3216498E-09 GRAD(Rho)x 0.2270571E-09 GRAD(Rho)y 0.2264428E-09 GRAD(Rho)z 0.2504616E-10 Laplacian 0.5534675E+00 (-1/4)Del**2(Rho)) -0.1383669E+00 Diamond 0.1025744E+01 Metallicity 0.4652150E+01 Ellipticity 0.3664445E-01 Gb(Abramov) 0.1995285E+00 Vb(Abramov) -0.2606901E+00 Hb(Abramov) -0.6116161E-01 Ex_ueg -0.5325469E-01 Ec_ueg -0.7752544E-02 Delta_ex -0.5836522E-01 Delta_ec 0.1432161E-01 Delta_et -0.1886139E+00 Pxc 0.6869318E+01 Qxc -0.4075324E+01 3,-1 163 3 -1 3.007621 0.890645 2.006975 Rho 0.1723772E+00 |GRAD(Rho)| 0.3570447E-15 GRAD(Rho)x 0.9112719E-16 GRAD(Rho)y 0.3087266E-15 GRAD(Rho)z 0.1544819E-15 Laplacian 0.6736012E+00 (-1/4)Del**2(Rho)) -0.1684003E+00 Diamond 0.1590554E+01 Metallicity 0.5461896E+01 Ellipticity 0.5554376E-01 Gb(Abramov) 0.2655643E+00 Vb(Abramov) -0.3627284E+00 Hb(Abramov) -0.9716404E-01 Ex_ueg -0.7085299E-01 Ec_ueg -0.9891049E-02 Delta_ex -0.7469017E-01 Delta_ec 0.1616439E-01 Delta_et -0.2180647E+00 Pxc 0.7163344E+01 Qxc -0.4620660E+01 3,-1 164 3 -1 -2.816439 0.898143 -1.672142 Rho 0.1945796E+00 |GRAD(Rho)| 0.9828058E-13 GRAD(Rho)x -0.4201004E-13 GRAD(Rho)y 0.8872037E-13 GRAD(Rho)z 0.4787949E-14 Laplacian 0.7907336E+00 (-1/4)Del**2(Rho)) -0.1976834E+00 Diamond 0.2156531E+01 Metallicity 0.5693924E+01 Ellipticity 0.2296285E-01 Gb(Abramov) 0.3193880E+00 Vb(Abramov) -0.4410926E+00 Hb(Abramov) -0.1217046E+00 Ex_ueg -0.8327501E-01 Ec_ueg -0.1135610E-01 Delta_ex -0.9038739E-01 Delta_ec 0.1833108E-01 Delta_et -0.2500245E+00 Pxc 0.7333063E+01 Qxc -0.4930828E+01 3,-1 165 3 -1 -2.791242 0.886891 1.651146 Rho 0.1905353E+00 |GRAD(Rho)| 0.1436664E-12 GRAD(Rho)x -0.8473461E-13 GRAD(Rho)y 0.1160161E-12 GRAD(Rho)z 0.5888912E-15 Laplacian 0.7778083E+00 (-1/4)Del**2(Rho)) -0.1944521E+00 Diamond 0.2069356E+01 Metallicity 0.5589415E+01 Ellipticity 0.2307146E-01 Gb(Abramov) 0.3107803E+00 Vb(Abramov) -0.4271085E+00 Hb(Abramov) -0.1163282E+00 Ex_ueg -0.8097526E-01 Ec_ueg -0.1108715E-01 Delta_ex -0.8844203E-01 Delta_ec 0.1814705E-01 Delta_et -0.2471207E+00 Pxc 0.7303525E+01 Qxc -0.4873631E+01 3,-1 166 3 -1 3.015156 0.847253 -1.987692 Rho 0.1843819E+00 |GRAD(Rho)| 0.6395045E-15 GRAD(Rho)x -0.2883978E-15 GRAD(Rho)y 0.5637851E-15 GRAD(Rho)z 0.8910109E-16 Laplacian 0.7229700E+00 (-1/4)Del**2(Rho)) -0.1807425E+00 Diamond 0.1864821E+01 Metallicity 0.5693204E+01 Ellipticity 0.4589415E-01 Gb(Abramov) 0.2919956E+00 Vb(Abramov) -0.4032488E+00 Hb(Abramov) -0.1112532E+00 Ex_ueg -0.7750733E-01 Ec_ueg -0.1067970E-01 Delta_ex -0.8164304E-01 Delta_ec 0.1723030E-01 Delta_et -0.2346176E+00 Pxc 0.7257442E+01 Qxc -0.4738343E+01 3,-1 167 3 -1 0.285857 -0.090897 0.520069 Rho 0.1968208E+00 |GRAD(Rho)| 0.1975727E-11 GRAD(Rho)x -0.1209938E-11 GRAD(Rho)y 0.1428299E-12 GRAD(Rho)z -0.1555361E-11 Laplacian 0.6544821E+00 (-1/4)Del**2(Rho)) -0.1636205E+00 Diamond 0.2040882E+01 Metallicity 0.7011869E+01 Ellipticity 0.7542566E-02 Gb(Abramov) 0.3002946E+00 Vb(Abramov) -0.4369687E+00 Hb(Abramov) -0.1366741E+00 Ex_ueg -0.8455639E-01 Ec_ueg -0.1150555E-01 Delta_ex -0.7663516E-01 Delta_ec 0.1798746E-01 Delta_et -0.2554298E+00 Pxc 0.7349185E+01 Qxc -0.4260476E+01 3,-1 168 3 -1 -2.991849 2.049388 -0.803126 Rho 0.1373643E+00 |GRAD(Rho)| 0.3558484E-13 GRAD(Rho)x 0.2805698E-13 GRAD(Rho)y 0.1983665E-13 GRAD(Rho)z -0.9251687E-14 Laplacian 0.5420065E+00 (-1/4)Del**2(Rho)) -0.1355016E+00 Diamond 0.9934241E+00 Metallicity 0.4649417E+01 Ellipticity 0.3349877E-01 Gb(Abramov) 0.1953350E+00 Vb(Abramov) -0.2551684E+00 Hb(Abramov) -0.5983340E-01 Ex_ueg -0.5234602E-01 Ec_ueg -0.7639623E-02 Delta_ex -0.5702660E-01 Delta_ec 0.1415657E-01 Delta_et -0.1862496E+00 Pxc 0.6851912E+01 Qxc -0.4028278E+01 3,-1 169 3 -1 -2.154903 -2.900698 -1.709391 Rho 0.2208806E+00 |GRAD(Rho)| 0.3681284E-13 GRAD(Rho)x 0.2937749E-13 GRAD(Rho)y -0.1300327E-13 GRAD(Rho)z 0.1797395E-13 Laplacian 0.8440483E+00 (-1/4)Del**2(Rho)) -0.2110121E+00 Diamond 0.2673769E+01 Metallicity 0.6589338E+01 Ellipticity 0.1266967E-01 Gb(Abramov) 0.3724130E+00 Vb(Abramov) -0.5338140E+00 Hb(Abramov) -0.1614010E+00 Ex_ueg -0.9861171E-01 Ec_ueg -0.1312747E-01 Delta_ex -0.9963695E-01 Delta_ec 0.1880827E-01 Delta_et -0.2583938E+00 Pxc 0.7511862E+01 Qxc -0.5297509E+01 3,-1 170 3 -1 -3.206164 2.222755 -2.312685 Rho 0.2345036E+00 |GRAD(Rho)| 0.3120703E-15 GRAD(Rho)x -0.1134618E-15 GRAD(Rho)y -0.2764173E-15 GRAD(Rho)z -0.9004299E-16 Laplacian 0.8579346E+00 (-1/4)Del**2(Rho)) -0.2144836E+00 Diamond 0.2949441E+01 Metallicity 0.7162669E+01 Ellipticity 0.8351202E-02 Gb(Abramov) 0.3990350E+00 Vb(Abramov) -0.5835863E+00 Hb(Abramov) -0.1845514E+00 Ex_ueg -0.1068032E+00 Ec_ueg -0.1405999E-01 Delta_ex -0.1030238E+00 Delta_ec 0.1906876E-01 Delta_et -0.2638499E+00 Pxc 0.7596252E+01 Qxc -0.5402751E+01 3,-1 171 3 -1 -3.199107 2.207838 2.297439 Rho 0.2343878E+00 |GRAD(Rho)| 0.1230668E-14 GRAD(Rho)x -0.9140909E-15 GRAD(Rho)y 0.4018595E-15 GRAD(Rho)z 0.7193681E-15 Laplacian 0.8620472E+00 (-1/4)Del**2(Rho)) -0.2155118E+00 Diamond 0.2957403E+01 Metallicity 0.7122633E+01 Ellipticity 0.8104803E-02 Gb(Abramov) 0.3995098E+00 Vb(Abramov) -0.5835078E+00 Hb(Abramov) -0.1839980E+00 Ex_ueg -0.1067329E+00 Ec_ueg -0.1405202E-01 Delta_ex -0.1034801E+00 Delta_ec 0.1911963E-01 Delta_et -0.2643629E+00 Pxc 0.7595557E+01 Qxc -0.5412241E+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 73 153 88 79 154 128 85 167 120 156 87 152 78 86 127 162 80 157 140 151 148 149 141 134 144 130 145 135 108 95 101 98 166 158 105 147 164 161 168 146 170 62 117 63 116 57 114 59 66 58 115 169 113 110 165 160 111 137 171 89 103 100 163 159 106 132 143 107 142 131 155 129 56 112 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 21 21 28 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 28 36 37 2.386849 1.929307 1.913167 1.947873 1.931878 1.746360 1.571328 1.548873 1.569781 1.576011 2.390287 1.904443 1.941951 1.924345 1.952185 1.746781 2.520027 1.935203 1.929323 1.929073 1.920724 1.741124 2.500492 1.926659 1.750520 2.174605 1.982137 1.759242 2.597418 1.927295 1.965596 1.843904 1.953236 1.748450 2.462344 1.816934 1.935053 1.958055 2.013742 1.752286 2.334914 2.189042 1.968476 1.955457 1.755952 1.761242 2.432428 2.210483 1.986834 1.946607 1.747699 1.750917 2.425890 1.824347 1.947465 1.948866 2.004539 1.752381 2.638219 1.956747 1.959398 1.844788 1.956814 1.739581 2.525873 1.952216 1.740966 2.176811 1.993706 1.750859 3.002618 3.234232 3.257084 2.388215 1.929803 1.913614 1.948457 1.932495 1.746366 1.571363 1.548982 1.569843 1.576028 2.391688 1.904928 1.942387 1.924947 1.952749 1.746787 2.521085 1.935811 1.929898 1.929770 1.921401 1.741140 2.501580 1.927154 1.750550 2.175114 1.982705 1.759272 2.598437 1.927738 1.966067 1.844273 1.953795 1.748459 2.463336 1.817284 1.935379 1.958574 2.014318 1.752301 2.336562 2.189408 1.968903 1.956051 1.755966 1.761262 2.434037 2.211003 1.987453 1.947353 1.747749 1.750959 2.426920 1.824727 1.947786 1.949406 2.005109 1.752395 2.639020 1.957321 1.960140 1.845358 1.957502 1.739590 2.526989 1.952778 1.741042 2.177549 1.994490 1.750906 3.012615 3.235790 3.258784 27 25 24 26 28 21 21 21 23 22 27 24 23 27 23 21 29 25 25 25 25 25 29 24 24 25 25 21 29 23 25 23 26 21 29 22 23 23 25 22 27 25 25 24 23 22 27 25 27 23 22 22 29 22 23 26 28 23 29 23 26 22 23 20 29 24 21 25 25 23 33 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W Mo W W W W Mo W 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 2.4411 2.2990 2.4363 2.2907 2.3250 2.4151 2.4185 2.3540 2.2130 2.4195 2.2685 2.1902 -1.0429 -0.9856 -1.0423 -1.0442 -0.9270 -0.9658 -0.9121 -0.9416 -0.6958 -0.9141 -0.9513 -0.9657 -0.9672 -0.9804 -0.9333 -0.7742 -0.9033 -0.9729 -0.9429 -0.9895 -0.9481 -0.9636 -0.9469 -0.7314 -0.8075 -0.9462 -0.9913 -0.9810 -0.8154 -0.7772 -0.8159 -0.7619 -0.8511 -0.8281 -0.8374 -0.8503 -0.7722 -0.8360 -0.7569 2.0987 2.5174 2.1001 1.9732 2.1332 2.0962 2.0967 2.1399 2.0092 2.0991 1.9668 2.0023 1.8971 1.9000 1.8975 1.8942 1.9416 1.9346 1.9442 1.9338 1.9800 1.9371 1.9332 1.9308 1.9310 1.9298 1.9352 1.9653 1.9500 1.9410 1.9445 1.9400 1.9402 1.9407 1.9416 1.9683 1.9565 1.9420 1.9397 1.9384 1.9617 1.9669 1.9613 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-360.2971 401.7232 -50.2147 -385.2305 -58.4673 -452.4864 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 Apr27-2024 12:38:04 Nodes: 1 Procs: 1 0 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Apr27-2024 12:38:05 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Apr27-2024 12:38:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr27-2024 12:38:07 Nodes: 1 Procs: 1 Apr27-2024 12:38:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr27-2024 12:38:10 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -15.95913501 -16.40283302 -16.23098300 -16.51436821 -16.59283242 -16.61006381 -16.61477398 -16.62158971 -16.62437752 -16.62632680 -16.62722360 -16.62798002 -16.62828261 -16.62843938 -16.62849000 -16.62853026 -16.62855819 -16.62856525 -16.62856816 GEOMETRY CONVERGED