ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar14-2024 00:31:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.48 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar14-2024 00:31:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 0 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar14-2024 00:31:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 0 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar14-2024 00:31:35 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 0 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar14-2024 00:31:35 Nodes: 1 Procs: 1 Mar14-2024 00:31:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar14-2024 00:31:38 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2677.190361000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Mar14-2024 00:31:36 1 1 Tungsten TZP 4d t21.P ADF 2019 Mar14-2024 00:31:33 1 1 Phosphorus TZP 1s t21.O ADF 2019 Mar14-2024 00:31:34 1 1 Oxygen TZP 1s t21.H ADF 2019 Mar14-2024 00:31:32 1 1 Hydrogen TZP 1 1 -16.19949259 0.30879035 0.00100000 F 0.10871800 0.00066667 F 0.30879035 0.10871800 0.19370372 0.01000000 F 0.05823618 0.00666667 F Cartesian 2677.190361000006 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0.3187811E+03 3,-3 15 3 -3 0.856400 0.833551 -0.940069 Rho 0.3187902E+03 3,-3 16 3 -3 -0.900192 0.895054 0.909939 Rho 0.3187731E+03 3,-3 17 3 -3 -3.012696 -1.141072 1.189115 Rho 0.3188680E+03 3,-3 18 3 -3 2.993137 -1.192516 -1.160530 Rho 0.3188114E+03 3,-3 19 3 -3 -3.025967 1.157974 -1.097214 Rho 0.3190007E+03 3,-3 20 3 -3 3.021989 1.196888 1.218051 Rho 0.3188449E+03 3,-3 21 3 -3 1.335982 -1.173287 -3.329263 Rho 0.3193414E+03 3,-3 22 3 -3 1.133542 1.148166 3.014376 Rho 0.3188719E+03 3,-3 23 3 -3 -1.169853 1.162254 -3.006538 Rho 0.3188260E+03 3,-3 24 3 -3 -1.180941 -1.153928 3.070912 Rho 0.3188697E+03 3,-3 25 3 -3 -1.156268 3.028980 -1.133720 Rho 0.3188583E+03 3,-3 26 3 -3 -1.205022 -3.007345 1.242836 Rho 0.3188686E+03 3,-3 27 3 -3 1.161556 3.022679 1.169184 Rho 0.3188813E+03 3,-3 28 3 -3 1.170055 -3.255640 -1.091026 Rho 0.3192091E+03 3,-3 29 3 -3 3.328893 -1.481841 1.522692 Rho 0.3189965E+03 3,-3 30 3 -3 -3.416484 -1.552688 -1.521838 Rho 0.3189147E+03 3,-3 31 3 -3 3.392801 1.514443 -1.441621 Rho 0.3190309E+03 3,-3 32 3 -3 -3.400977 1.503158 1.556842 Rho 0.3189368E+03 3,-3 33 3 -3 1.446358 -1.465667 3.430250 Rho 0.3189288E+03 3,-3 34 3 -3 1.525267 1.534377 -3.364166 Rho 0.3189194E+03 3,-3 35 3 -3 -1.494921 1.500561 3.422752 Rho 0.3189426E+03 3,-3 36 3 -3 -1.776134 -1.432282 -3.734724 Rho 0.3192954E+03 3,-3 37 3 -3 -1.510127 -3.590342 -1.295969 Rho 0.3187232E+03 3,-3 38 3 -3 -1.503377 3.365157 1.523260 Rho 0.3189502E+03 3,-3 39 3 -3 1.490524 -3.393828 1.585080 Rho 0.3189307E+03 3,-3 40 3 -3 1.473898 3.393355 -1.449966 Rho 0.3189263E+03 3,-3 41 3 -3 -0.214907 -3.742126 3.801794 Rho 0.3193127E+03 3,-3 42 3 -3 3.861501 -0.166648 -3.719845 Rho 0.3192528E+03 3,-3 43 3 -3 -0.193599 3.731448 -3.717389 Rho 0.3193153E+03 3,-3 44 3 -3 0.223242 3.757043 3.740285 Rho 0.3192978E+03 3,-3 45 3 -3 3.737595 -3.775255 -0.182947 Rho 0.3192667E+03 3,-3 46 3 -3 3.774555 3.760239 0.193291 Rho 0.3192999E+03 3,-3 47 3 -3 -3.774269 3.721111 -0.205820 Rho 0.3192843E+03 3,-3 48 3 -3 -3.830506 -3.661070 0.232745 Rho 0.3193166E+03 3,-3 49 3 -3 -3.855473 0.320502 -3.632367 Rho 0.3192551E+03 3,-3 50 3 -3 -3.748727 -0.187519 3.793033 Rho 0.3193124E+03 3,-3 51 3 -3 3.738949 0.169281 3.772533 Rho 0.3193033E+03 3,-3 52 3 -3 -0.523805 -3.380845 -1.286883 Rho 0.4261076E+00 3,-3 53 3 -1 -2.967131 -0.930124 -2.051129 Rho 0.1302890E+00 |GRAD(Rho)| 0.1977591E-15 GRAD(Rho)x 0.1959018E-16 GRAD(Rho)y 0.1379376E-15 GRAD(Rho)z -0.1403500E-15 Laplacian 0.5042581E+00 (-1/4)Del**2(Rho)) -0.1260645E+00 Diamond 0.8788209E+00 Metallicity 0.4575867E+01 Ellipticity 0.2498151E-01 Gb(Abramov) 0.1801854E+00 Vb(Abramov) -0.2343064E+00 Hb(Abramov) -0.5412092E-01 Ex_ueg -0.4878230E-01 Ec_ueg -0.7193938E-02 Delta_ex -0.5251924E-01 Delta_ec 0.1358509E-01 Delta_et -0.1776873E+00 Pxc 0.6781028E+01 Qxc -0.3865949E+01 3,-1 54 3 +1 -2.910324 -0.228123 -0.209911 Rho 0.5436023E-02 |GRAD(Rho)| 0.4553159E-17 GRAD(Rho)x -0.1793764E-17 GRAD(Rho)y 0.4131761E-17 GRAD(Rho)z 0.6650003E-18 Laplacian 0.2249486E-01 (-1/4)Del**2(Rho)) -0.5623716E-02 Diamond 0.4759404E-03 Metallicity 0.5148317E+00 Ellipticity -0.1666112E+01 Gb(Abramov) 0.4231688E-02 Vb(Abramov) -0.2839661E-02 Hb(Abramov) 0.1392027E-02 Ex_ueg -0.7059275E-03 Ec_ueg -0.1657246E-03 Delta_ex -0.1044477E-02 Delta_ec 0.5436453E-03 Delta_et -0.3093371E-02 Pxc 0.4259641E+01 Qxc -0.1921247E+01 3,+1 55 3 -1 -2.771771 -0.551013 1.839658 Rho 0.1396328E+00 |GRAD(Rho)| 0.2236036E-15 GRAD(Rho)x -0.9074095E-16 GRAD(Rho)y -0.1272582E-15 GRAD(Rho)z 0.1599063E-15 Laplacian 0.5829923E+00 (-1/4)Del**2(Rho)) -0.1457481E+00 Diamond 0.1085899E+01 Metallicity 0.4442177E+01 Ellipticity 0.1022512E-01 Gb(Abramov) 0.2050719E+00 Vb(Abramov) -0.2643956E+00 Hb(Abramov) -0.5932378E-01 Ex_ueg -0.5350177E-01 Ec_ueg -0.7783201E-02 Delta_ex -0.6154077E-01 Delta_ec 0.1509089E-01 Delta_et -0.1988872E+00 Pxc 0.6874006E+01 Qxc -0.4078007E+01 3,-1 56 3 -1 -1.685932 0.496414 1.713081 Rho 0.3993366E-01 |GRAD(Rho)| 0.5324536E-16 GRAD(Rho)x 0.1641126E-17 GRAD(Rho)y 0.2067078E-17 GRAD(Rho)z -0.5317990E-16 Laplacian 0.1558914E+00 (-1/4)Del**2(Rho)) -0.3897284E-01 Diamond 0.5720268E-01 Metallicity 0.2062321E+01 Ellipticity 0.1274399E-01 Gb(Abramov) 0.3937764E-01 Vb(Abramov) -0.3978245E-01 Hb(Abramov) -0.4048024E-03 Ex_ueg -0.1008100E-01 Ec_ueg -0.1866509E-02 Delta_ex -0.1207242E-01 Delta_ec 0.4547192E-02 Delta_et -0.4515907E-01 Pxc 0.5400995E+01 Qxc -0.2654917E+01 3,-1 57 3 +1 -0.566608 -0.558452 1.700149 Rho 0.8352427E-02 |GRAD(Rho)| 0.1309020E-16 GRAD(Rho)x 0.3090533E-17 GRAD(Rho)y -0.1161308E-16 GRAD(Rho)z 0.5190208E-17 Laplacian 0.3469571E-01 (-1/4)Del**2(Rho)) -0.8673928E-02 Diamond 0.9289256E-03 Metallicity 0.6829022E+00 Ellipticity -0.1408382E+01 Gb(Abramov) 0.6769859E-02 Vb(Abramov) -0.4865791E-02 Hb(Abramov) 0.1904068E-02 Ex_ueg -0.1251609E-02 Ec_ueg -0.2939167E-03 Delta_ex -0.1590545E-02 Delta_ec 0.5188830E-03 Delta_et -0.3494853E-02 Pxc 0.4258380E+01 Qxc -0.3065325E+01 3,+1 58 3 +3 -1.124776 -1.105552 1.161813 Rho 0.5115023E-02 |GRAD(Rho)| 0.2927302E-17 GRAD(Rho)x 0.1835944E-17 GRAD(Rho)y 0.1587790E-17 GRAD(Rho)z 0.1636256E-17 Laplacian 0.2118321E-01 (-1/4)Del**2(Rho)) -0.5295801E-02 Diamond 0.1619987E-03 Metallicity 0.4939703E+00 Ellipticity -0.1587181E+00 Gb(Abramov) 0.3966529E-02 Vb(Abramov) -0.2637257E-02 Hb(Abramov) 0.1329272E-02 Ex_ueg -0.6509014E-03 Ec_ueg -0.1518661E-03 Delta_ex -0.7449602E-03 Delta_ec 0.1084110E-03 Delta_et -0.8180713E-03 Pxc 0.4286022E+01 Qxc -0.6871632E+01 3,+3 59 3 +1 -2.126991 1.201501 1.187058 Rho 0.2480986E-01 |GRAD(Rho)| 0.1022446E-14 GRAD(Rho)x 0.2415667E-15 GRAD(Rho)y 0.9866049E-15 GRAD(Rho)z -0.1168417E-15 Laplacian 0.9729216E-01 (-1/4)Del**2(Rho)) -0.2432304E-01 Diamond 0.1326736E-01 Metallicity 0.1494775E+01 Ellipticity -0.5048772E+01 Gb(Abramov) 0.2227494E-01 Vb(Abramov) -0.2022684E-01 Hb(Abramov) 0.2048099E-02 Ex_ueg -0.5344219E-02 Ec_ueg -0.1079146E-02 Delta_ex -0.6112852E-02 Delta_ec 0.1783328E-02 Delta_et -0.1568098E-01 Pxc 0.4952267E+01 Qxc -0.3427778E+01 3,+1 60 3 +1 -1.714034 -0.505611 0.579186 Rho 0.9497712E-02 |GRAD(Rho)| 0.1536272E-16 GRAD(Rho)x -0.1109740E-16 GRAD(Rho)y -0.1058818E-16 GRAD(Rho)z -0.8667794E-18 Laplacian 0.4011715E-01 (-1/4)Del**2(Rho)) -0.1002929E-01 Diamond 0.1296878E-02 Metallicity 0.7316692E+00 Ellipticity -0.1456833E+01 Gb(Abramov) 0.7909211E-02 Vb(Abramov) -0.5789136E-02 Hb(Abramov) 0.2120076E-02 Ex_ueg -0.1485515E-02 Ec_ueg -0.3453231E-03 Delta_ex -0.1906254E-02 Delta_ec 0.6121596E-03 Delta_et -0.4254464E-02 Pxc 0.4301812E+01 Qxc -0.3113983E+01 3,+1 61 3 -1 -3.230821 0.064627 -3.192396 Rho 0.2343905E+00 |GRAD(Rho)| 0.4334740E-15 GRAD(Rho)x 0.1720629E-15 GRAD(Rho)y -0.9866240E-17 GRAD(Rho)z 0.3977396E-15 Laplacian 0.8604383E+00 (-1/4)Del**2(Rho)) -0.2151096E+00 Diamond 0.2958964E+01 Metallicity 0.7136088E+01 Ellipticity 0.2189322E-01 Gb(Abramov) 0.3992465E+00 Vb(Abramov) -0.5833835E+00 Hb(Abramov) -0.1841370E+00 Ex_ueg -0.1067346E+00 Ec_ueg -0.1405221E-01 Delta_ex -0.1033259E+00 Delta_ec 0.1915293E-01 Delta_et -0.2651202E+00 Pxc 0.7595573E+01 Qxc -0.5394782E+01 3,-1 62 3 -1 -3.191139 -0.046076 3.239276 Rho 0.2431856E+00 |GRAD(Rho)| 0.5627958E-15 GRAD(Rho)x 0.1976501E-15 GRAD(Rho)y 0.1130823E-15 GRAD(Rho)z -0.5146708E-15 Laplacian 0.8829964E+00 (-1/4)Del**2(Rho)) -0.2207491E+00 Diamond 0.3171886E+01 Metallicity 0.7394076E+01 Ellipticity 0.8789518E-03 Gb(Abramov) 0.4192053E+00 Vb(Abramov) -0.6176615E+00 Hb(Abramov) -0.1984562E+00 Ex_ueg -0.1121077E+00 Ec_ueg -0.1465960E-01 Delta_ex -0.1070471E+00 Delta_ec 0.1942062E-01 Delta_et -0.2690826E+00 Pxc 0.7647391E+01 Qxc -0.5512034E+01 3,-1 63 3 -1 -1.788861 0.506220 -2.835063 Rho 0.1339716E+00 |GRAD(Rho)| 0.1880100E-15 GRAD(Rho)x -0.1120794E-15 GRAD(Rho)y -0.1445648E-15 GRAD(Rho)z 0.4343924E-16 Laplacian 0.5596986E+00 (-1/4)Del**2(Rho)) -0.1399246E+00 Diamond 0.1002423E+01 Metallicity 0.4318639E+01 Ellipticity 0.1426272E-01 Gb(Abramov) 0.1939971E+00 Vb(Abramov) -0.2480696E+00 Hb(Abramov) -0.5407246E-01 Ex_ueg -0.5062932E-01 Ec_ueg -0.7425502E-02 Delta_ex -0.5861287E-01 Delta_ec 0.1485034E-01 Delta_et -0.1948877E+00 Pxc 0.6818302E+01 Qxc -0.3946904E+01 3,-1 64 3 +1 -1.721621 0.535573 -0.500695 Rho 0.9647392E-02 |GRAD(Rho)| 0.8239758E-17 GRAD(Rho)x 0.3215964E-17 GRAD(Rho)y 0.5369405E-17 GRAD(Rho)z 0.5359168E-17 Laplacian 0.4065410E-01 (-1/4)Del**2(Rho)) -0.1016352E-01 Diamond 0.1354017E-02 Metallicity 0.7410691E+00 Ellipticity -0.1476567E+01 Gb(Abramov) 0.8030995E-02 Vb(Abramov) -0.5898466E-02 Hb(Abramov) 0.2132529E-02 Ex_ueg -0.1516812E-02 Ec_ueg -0.3520836E-03 Delta_ex -0.1943828E-02 Delta_ec 0.6282647E-03 Delta_et -0.4378528E-02 Pxc 0.4308100E+01 Qxc -0.3093963E+01 3,+1 65 3 +3 -2.371546 0.021855 0.055627 Rho 0.4935888E-02 |GRAD(Rho)| 0.1445941E-16 GRAD(Rho)x 0.1055192E-16 GRAD(Rho)y 0.6890785E-17 GRAD(Rho)z 0.7088627E-17 Laplacian 0.2073332E-01 (-1/4)Del**2(Rho)) -0.5183330E-02 Diamond 0.2105312E-03 Metallicity 0.4755759E+00 Ellipticity -0.3859017E+00 Gb(Abramov) 0.3866398E-02 Vb(Abramov) -0.2549465E-02 Hb(Abramov) 0.1316932E-02 Ex_ueg -0.6206863E-03 Ec_ueg -0.1441548E-03 Delta_ex -0.7782640E-03 Delta_ec 0.2064966E-03 Delta_et -0.1297836E-02 Pxc 0.4305691E+01 Qxc -0.3768894E+01 3,+3 66 3 +1 -0.608107 0.495794 -1.688627 Rho 0.9074229E-02 |GRAD(Rho)| 0.1266440E-16 GRAD(Rho)x -0.9487320E-18 GRAD(Rho)y 0.1032408E-16 GRAD(Rho)z -0.7273254E-17 Laplacian 0.3871245E-01 (-1/4)Del**2(Rho)) -0.9678113E-02 Diamond 0.1195687E-02 Metallicity 0.7027142E+00 Ellipticity -0.1445446E+01 Gb(Abramov) 0.7585566E-02 Vb(Abramov) -0.5493020E-02 Hb(Abramov) 0.2092546E-02 Ex_ueg -0.1397863E-02 Ec_ueg -0.3262480E-03 Delta_ex -0.1826780E-02 Delta_ec 0.6054338E-03 Delta_et -0.4147058E-02 Pxc 0.4284664E+01 Qxc -0.3017308E+01 3,+1 67 3 -1 -1.969769 0.855259 3.014751 Rho 0.1512124E+00 |GRAD(Rho)| 0.2898086E-13 GRAD(Rho)x 0.1761854E-13 GRAD(Rho)y 0.1013729E-14 GRAD(Rho)z -0.2298803E-13 Laplacian 0.5983064E+00 (-1/4)Del**2(Rho)) -0.1495766E+00 Diamond 0.1224541E+01 Metallicity 0.4943130E+01 Ellipticity 0.4248786E-01 Gb(Abramov) 0.2229472E+00 Vb(Abramov) -0.2963177E+00 Hb(Abramov) -0.7337055E-01 Ex_ueg -0.5949791E-01 Ec_ueg -0.8521172E-02 Delta_ex -0.6438269E-01 Delta_ec 0.1515519E-01 Delta_et -0.2019825E+00 Pxc 0.6982362E+01 Qxc -0.4248226E+01 3,-1 68 3 +1 -1.765846 1.735317 -1.738259 Rho 0.1175779E-01 |GRAD(Rho)| 0.1353650E-13 GRAD(Rho)x 0.1160821E-13 GRAD(Rho)y 0.4793656E-14 GRAD(Rho)z -0.5050468E-14 Laplacian 0.5750756E-01 (-1/4)Del**2(Rho)) -0.1437689E-01 Diamond 0.2251256E-02 Metallicity 0.7285023E+00 Ellipticity -0.1284006E+01 Gb(Abramov) 0.1133019E-01 Vb(Abramov) -0.8283496E-02 Hb(Abramov) 0.3046697E-02 Ex_ueg -0.1974631E-02 Ec_ueg -0.4483992E-03 Delta_ex -0.2814703E-02 Delta_ec 0.7519900E-03 Delta_et -0.5606288E-02 Pxc 0.4403734E+01 Qxc -0.3743006E+01 3,+1 69 3 +1 -0.556149 1.660987 -0.545760 Rho 0.8736776E-02 |GRAD(Rho)| 0.2996018E-15 GRAD(Rho)x 0.2372021E-15 GRAD(Rho)y -0.5692821E-16 GRAD(Rho)z -0.1739414E-15 Laplacian 0.3618998E-01 (-1/4)Del**2(Rho)) -0.9047496E-02 Diamond 0.1020854E-02 Metallicity 0.7056838E+00 Ellipticity -0.1419049E+01 Gb(Abramov) 0.7095775E-02 Vb(Abramov) -0.5144055E-02 Hb(Abramov) 0.1951720E-02 Ex_ueg -0.1328985E-02 Ec_ueg -0.3111040E-03 Delta_ex -0.1673735E-02 Delta_ec 0.5339141E-03 Delta_et -0.3644170E-02 Pxc 0.4271834E+01 Qxc -0.3134839E+01 3,+1 70 3 +3 -1.835694 1.823434 1.852558 Rho 0.1236378E-01 |GRAD(Rho)| 0.2238683E-16 GRAD(Rho)x 0.1521284E-16 GRAD(Rho)y -0.1579037E-16 GRAD(Rho)z 0.4517055E-17 Laplacian 0.5641554E-01 (-1/4)Del**2(Rho)) -0.1410389E-01 Diamond 0.1231963E-02 Metallicity 0.8074825E+00 Ellipticity -0.6272956E+00 Gb(Abramov) 0.1130070E-01 Vb(Abramov) -0.8497509E-02 Hb(Abramov) 0.2803189E-02 Ex_ueg -0.2111479E-02 Ec_ueg -0.4763883E-03 Delta_ex -0.2483136E-02 Delta_ec 0.1754148E-03 Delta_et -0.1745952E-02 Pxc 0.4432264E+01 Qxc -0.1415579E+02 3,+3 71 3 -1 -0.838570 2.968483 1.977960 Rho 0.1524348E+00 |GRAD(Rho)| 0.6242446E-12 GRAD(Rho)x 0.4714014E-12 GRAD(Rho)y -0.2108129E-12 GRAD(Rho)z 0.3507420E-12 Laplacian 0.6014223E+00 (-1/4)Del**2(Rho)) -0.1503556E+00 Diamond 0.1242726E+01 Metallicity 0.4983950E+01 Ellipticity 0.3939342E-01 Gb(Abramov) 0.2251312E+00 Vb(Abramov) -0.2999067E+00 Hb(Abramov) -0.7477558E-01 Ex_ueg -0.6014004E-01 Ec_ueg -0.8599556E-02 Delta_ex -0.6484491E-01 Delta_ec 0.1520093E-01 Delta_et -0.2028095E+00 Pxc 0.6993390E+01 Qxc -0.4265851E+01 3,-1 72 3 +3 -0.102798 -2.377677 -0.121323 Rho 0.3950343E-02 |GRAD(Rho)| 0.4137302E-17 GRAD(Rho)x 0.7386127E-18 GRAD(Rho)y 0.2032879E-18 GRAD(Rho)z 0.4065758E-17 Laplacian 0.1634018E-01 (-1/4)Del**2(Rho)) -0.4085046E-02 Diamond 0.1065460E-03 Metallicity 0.4163076E+00 Ellipticity -0.2556181E+00 Gb(Abramov) 0.3006803E-02 Vb(Abramov) -0.1928560E-02 Hb(Abramov) 0.1078243E-02 Ex_ueg -0.4612094E-03 Ec_ueg -0.1020253E-03 Delta_ex -0.5593985E-03 Delta_ec 0.1261269E-03 Delta_et -0.7981342E-03 Pxc 0.4520541E+01 Qxc -0.4435203E+01 3,+3 73 3 +1 -0.638115 -1.693768 0.531321 Rho 0.8910606E-02 |GRAD(Rho)| 0.5934118E-14 GRAD(Rho)x 0.5202054E-14 GRAD(Rho)y 0.2398461E-14 GRAD(Rho)z 0.1549119E-14 Laplacian 0.3702915E-01 (-1/4)Del**2(Rho)) -0.9257288E-02 Diamond 0.1082842E-02 Metallicity 0.7127132E+00 Ellipticity -0.1434343E+01 Gb(Abramov) 0.7271157E-02 Vb(Abramov) -0.5285027E-02 Hb(Abramov) 0.1986131E-02 Ex_ueg -0.1364357E-02 Ec_ueg -0.3188988E-03 Delta_ex -0.1725311E-02 Delta_ec 0.5538913E-03 Delta_et -0.3794103E-02 Pxc 0.4278339E+01 Qxc -0.3114892E+01 3,+1 74 3 -1 -0.586359 -1.805079 2.819958 Rho 0.1354109E+00 |GRAD(Rho)| 0.9728100E-14 GRAD(Rho)x 0.6156317E-14 GRAD(Rho)y -0.7295624E-14 GRAD(Rho)z -0.1873386E-14 Laplacian 0.5665673E+00 (-1/4)Del**2(Rho)) -0.1416418E+00 Diamond 0.1019490E+01 Metallicity 0.4342944E+01 Ellipticity 0.8574679E-02 Gb(Abramov) 0.1969517E+00 Vb(Abramov) -0.2522615E+00 Hb(Abramov) -0.5530982E-01 Ex_ueg -0.5135584E-01 Ec_ueg -0.7516247E-02 Delta_ex -0.5939011E-01 Delta_ec 0.1482407E-01 Delta_et -0.1945454E+00 Pxc 0.6832644E+01 Qxc -0.4006329E+01 3,-1 75 3 -1 -0.216569 -1.281578 -3.498985 Rho 0.5448457E-02 |GRAD(Rho)| 0.6172731E-12 GRAD(Rho)x 0.5591165E-12 GRAD(Rho)y -0.1991296E-12 GRAD(Rho)z -0.1695942E-12 Laplacian 0.2153378E-01 (-1/4)Del**2(Rho)) -0.5383446E-02 Diamond 0.8697629E-03 Metallicity 0.5398610E+00 Ellipticity 0.1257395E+00 Gb(Abramov) 0.4073349E-02 Vb(Abramov) -0.2763253E-02 Hb(Abramov) 0.1310097E-02 Ex_ueg -0.7080812E-03 Ec_ueg -0.1662625E-03 Delta_ex -0.1342131E-02 Delta_ec 0.1130658E-02 Delta_et -0.6119663E-02 Pxc 0.4258815E+01 Qxc -0.1187035E+01 3,-1 76 3 +1 -0.263874 -0.986879 -2.587776 Rho 0.3069715E-02 |GRAD(Rho)| 0.1514431E-11 GRAD(Rho)x 0.1079824E-11 GRAD(Rho)y 0.7030253E-12 GRAD(Rho)z 0.7957618E-12 Laplacian 0.1214542E-01 (-1/4)Del**2(Rho)) -0.3036356E-02 Diamond 0.1091732E-03 Metallicity 0.3678724E+00 Ellipticity -0.1321215E+01 Gb(Abramov) 0.2210403E-02 Vb(Abramov) -0.1384449E-02 Hb(Abramov) 0.8259534E-03 Ex_ueg -0.3294952E-03 Ec_ueg -0.6481464E-04 Delta_ex -0.4839797E-03 Delta_ec 0.2618149E-03 Delta_et -0.1277256E-02 Pxc 0.5083654E+01 Qxc -0.1848557E+01 3,+1 77 3 +1 0.284134 -1.918109 -0.715071 Rho 0.5860316E-02 |GRAD(Rho)| 0.4143281E-14 GRAD(Rho)x 0.1813359E-14 GRAD(Rho)y 0.1625094E-14 GRAD(Rho)z 0.3352250E-14 Laplacian 0.2385635E-01 (-1/4)Del**2(Rho)) -0.5964087E-02 Diamond 0.6185964E-03 Metallicity 0.5502300E+00 Ellipticity -0.2219142E+01 Gb(Abramov) 0.4522994E-02 Vb(Abramov) -0.3081902E-02 Hb(Abramov) 0.1441092E-02 Ex_ueg -0.7803326E-03 Ec_ueg -0.1841215E-03 Delta_ex -0.1170731E-02 Delta_ec 0.6570796E-03 Delta_et -0.3779734E-02 Pxc 0.4238139E+01 Qxc -0.1781718E+01 3,+1 78 3 +3 0.004377 -0.044662 2.314242 Rho 0.4474851E-02 |GRAD(Rho)| 0.1228534E-15 GRAD(Rho)x 0.9128419E-16 GRAD(Rho)y -0.1647790E-16 GRAD(Rho)z -0.8055201E-16 Laplacian 0.1856090E-01 (-1/4)Del**2(Rho)) -0.4640225E-02 Diamond 0.1514924E-03 Metallicity 0.4511404E+00 Ellipticity -0.3092815E+00 Gb(Abramov) 0.3442382E-02 Vb(Abramov) -0.2244539E-02 Hb(Abramov) 0.1197843E-02 Ex_ueg -0.5446152E-03 Ec_ueg -0.1243840E-03 Delta_ex -0.6650946E-03 Delta_ec 0.1589110E-03 Delta_et -0.1008599E-02 Pxc 0.4378501E+01 Qxc -0.4185327E+01 3,+3 79 3 -1 0.036240 -3.344131 -1.212735 Rho 0.4247232E-01 |GRAD(Rho)| 0.1034334E-14 GRAD(Rho)x 0.5331389E-15 GRAD(Rho)y -0.6506559E-15 GRAD(Rho)z -0.6018780E-15 Laplacian 0.1197404E+00 (-1/4)Del**2(Rho)) -0.2993509E-01 Diamond 0.7924776E-01 Metallicity 0.2975427E+01 Ellipticity 0.7650477E-02 Gb(Abramov) 0.3480167E-01 Vb(Abramov) -0.3966825E-01 Hb(Abramov) -0.4866582E-02 Ex_ueg -0.1094443E-01 Ec_ueg -0.2003204E-02 Delta_ex -0.1110241E-01 Delta_ec 0.6501306E-02 Delta_et -0.6611904E-01 Pxc 0.5463461E+01 Qxc -0.1707720E+01 3,-1 80 3 +1 0.043085 -3.051422 0.136725 Rho 0.5057791E-02 |GRAD(Rho)| 0.8554196E-16 GRAD(Rho)x 0.8406633E-16 GRAD(Rho)y 0.1251576E-16 GRAD(Rho)z -0.9676504E-17 Laplacian 0.2064901E-01 (-1/4)Del**2(Rho)) -0.5162252E-02 Diamond 0.4832854E-03 Metallicity 0.4973348E+00 Ellipticity -0.2701007E+01 Gb(Abramov) 0.3869396E-02 Vb(Abramov) -0.2576540E-02 Hb(Abramov) 0.1292856E-02 Ex_ueg -0.6412089E-03 Ec_ueg -0.1494006E-03 Delta_ex -0.1023672E-02 Delta_ec 0.6408371E-03 Delta_et -0.3496103E-02 Pxc 0.4291876E+01 Qxc -0.1597399E+01 3,+1 81 3 +3 0.703427 -1.442631 -1.549618 Rho 0.2829846E-02 |GRAD(Rho)| 0.6612452E-17 GRAD(Rho)x -0.2939707E-17 GRAD(Rho)y 0.5100832E-17 GRAD(Rho)z 0.3010673E-17 Laplacian 0.1121531E-01 (-1/4)Del**2(Rho)) -0.2803829E-02 Diamond 0.6017002E-04 Metallicity 0.3478615E+00 Ellipticity -0.8954821E+00 Gb(Abramov) 0.2031776E-02 Vb(Abramov) -0.1259724E-02 Hb(Abramov) 0.7720522E-03 Ex_ueg -0.2956212E-03 Ec_ueg -0.5475205E-04 Delta_ex -0.3797026E-03 Delta_ec 0.1347874E-03 Delta_et -0.7069849E-03 Pxc 0.5399271E+01 Qxc -0.2817047E+01 3,+3 82 3 -1 -0.405756 0.332774 0.344899 Rho 0.1954958E+00 |GRAD(Rho)| 0.2214773E-12 GRAD(Rho)x 0.1042053E-12 GRAD(Rho)y -0.1408586E-12 GRAD(Rho)z -0.1354707E-12 Laplacian 0.6517307E+00 (-1/4)Del**2(Rho)) -0.1629327E+00 Diamond 0.2014270E+01 Metallicity 0.6962641E+01 Ellipticity 0.3065911E-02 Gb(Abramov) 0.2976954E+00 Vb(Abramov) -0.4324581E+00 Hb(Abramov) -0.1347627E+00 Ex_ueg -0.8379825E-01 Ec_ueg -0.1141716E-01 Delta_ex -0.7617438E-01 Delta_ec 0.1792229E-01 Delta_et -0.2542189E+00 Pxc 0.7339675E+01 Qxc -0.4250260E+01 3,-1 83 3 +1 1.220091 -1.113834 2.104206 Rho 0.2305817E-01 |GRAD(Rho)| 0.4921967E-16 GRAD(Rho)x -0.5815479E-17 GRAD(Rho)y -0.5259920E-17 GRAD(Rho)z -0.4859104E-16 Laplacian 0.8850298E-01 (-1/4)Del**2(Rho)) -0.2212574E-01 Diamond 0.1058982E-01 Metallicity 0.1454443E+01 Ellipticity -0.3944616E+01 Gb(Abramov) 0.2011394E-01 Vb(Abramov) -0.1810213E-01 Hb(Abramov) 0.2011809E-02 Ex_ueg -0.4847133E-02 Ec_ueg -0.9914519E-03 Delta_ex -0.5415365E-02 Delta_ec 0.1552262E-02 Delta_et -0.1341767E-01 Pxc 0.4888923E+01 Qxc -0.3488693E+01 3,+1 84 3 +1 0.066862 -0.094617 2.970531 Rho 0.5440443E-02 |GRAD(Rho)| 0.1451788E-16 GRAD(Rho)x -0.8190668E-18 GRAD(Rho)y -0.1438549E-16 GRAD(Rho)z -0.1776410E-17 Laplacian 0.2233545E-01 (-1/4)Del**2(Rho)) -0.5583863E-02 Diamond 0.6136096E-03 Metallicity 0.5192091E+00 Ellipticity -0.5412532E+01 Gb(Abramov) 0.4205774E-02 Vb(Abramov) -0.2827685E-02 Hb(Abramov) 0.1378089E-02 Ex_ueg -0.7066930E-03 Ec_ueg -0.1659158E-03 Delta_ex -0.1153849E-02 Delta_ec 0.7479609E-03 Delta_et -0.4148405E-02 Pxc 0.4259346E+01 Qxc -0.1542659E+01 3,+1 85 3 +1 -0.221599 -0.404155 -3.167941 Rho 0.3286772E-02 |GRAD(Rho)| 0.3101504E-17 GRAD(Rho)x 0.4694002E-19 GRAD(Rho)y 0.3085129E-17 GRAD(Rho)z 0.3148084E-18 Laplacian 0.1307534E-01 (-1/4)Del**2(Rho)) -0.3268835E-02 Diamond 0.1530011E-03 Metallicity 0.3829212E+00 Ellipticity -0.1587468E+01 Gb(Abramov) 0.2387841E-02 Vb(Abramov) -0.1506847E-02 Hb(Abramov) 0.8809941E-03 Ex_ueg -0.3609201E-03 Ec_ueg -0.7394743E-04 Delta_ex -0.5676322E-03 Delta_ec 0.3519700E-03 Delta_et -0.1709075E-02 Pxc 0.4880766E+01 Qxc -0.1612729E+01 3,+1 86 3 +1 1.636138 -0.587277 -0.564057 Rho 0.8547838E-02 |GRAD(Rho)| 0.2033585E-17 GRAD(Rho)x -0.3109695E-18 GRAD(Rho)y -0.1901030E-17 GRAD(Rho)z -0.6518067E-18 Laplacian 0.3617020E-01 (-1/4)Del**2(Rho)) -0.9042551E-02 Diamond 0.1018889E-02 Metallicity 0.6808049E+00 Ellipticity -0.1418864E+01 Gb(Abramov) 0.7054403E-02 Vb(Abramov) -0.5066255E-02 Hb(Abramov) 0.1988148E-02 Ex_ueg -0.1290803E-02 Ec_ueg -0.3026469E-03 Delta_ex -0.1676618E-02 Delta_ec 0.5567590E-03 Delta_et -0.3760580E-02 Pxc 0.4265048E+01 Qxc -0.3011389E+01 3,+1 87 3 -1 0.292919 -0.417678 0.324416 Rho 0.1982254E+00 |GRAD(Rho)| 0.1053813E-15 GRAD(Rho)x -0.1521278E-16 GRAD(Rho)y 0.6808747E-16 GRAD(Rho)z -0.7898035E-16 Laplacian 0.6720818E+00 (-1/4)Del**2(Rho)) -0.1680204E+00 Diamond 0.2117878E+01 Metallicity 0.6909658E+01 Ellipticity 0.4878678E-02 Gb(Abramov) 0.3055076E+00 Vb(Abramov) -0.4429947E+00 Hb(Abramov) -0.1374871E+00 Ex_ueg -0.8536191E-01 Ec_ueg -0.1159935E-01 Delta_ex -0.7886298E-01 Delta_ec 0.1848870E-01 Delta_et -0.2629412E+00 Pxc 0.7359200E+01 Qxc -0.4265469E+01 3,-1 88 3 +1 -0.095902 2.944734 0.114027 Rho 0.5412143E-02 |GRAD(Rho)| 0.3072260E-17 GRAD(Rho)x -0.4553043E-18 GRAD(Rho)y -0.1511849E-17 GRAD(Rho)z 0.2635487E-17 Laplacian 0.2218647E-01 (-1/4)Del**2(Rho)) -0.5546618E-02 Diamond 0.6121919E-03 Metallicity 0.5181717E+00 Ellipticity -0.7117412E+01 Gb(Abramov) 0.4176762E-02 Vb(Abramov) -0.2806906E-02 Hb(Abramov) 0.1369856E-02 Ex_ueg -0.7017957E-03 Ec_ueg -0.1646919E-03 Delta_ex -0.1150804E-02 Delta_ec 0.7533154E-03 Delta_et -0.4167639E-02 Pxc 0.4261265E+01 Qxc -0.1527652E+01 3,+1 89 3 +1 0.534334 0.468823 1.679281 Rho 0.8263986E-02 |GRAD(Rho)| 0.1905810E-15 GRAD(Rho)x -0.2212979E-17 GRAD(Rho)y 0.1422207E-15 GRAD(Rho)z 0.1268444E-15 Laplacian 0.3446959E-01 (-1/4)Del**2(Rho)) -0.8617398E-02 Diamond 0.9203089E-03 Metallicity 0.6752941E+00 Ellipticity -0.1413229E+01 Gb(Abramov) 0.6714811E-02 Vb(Abramov) -0.4812225E-02 Hb(Abramov) 0.1902586E-02 Ex_ueg -0.1233970E-02 Ec_ueg -0.2899711E-03 Delta_ex -0.1581076E-02 Delta_ec 0.5245893E-03 Delta_et -0.3516429E-02 Pxc 0.4255492E+01 Qxc -0.3013931E+01 3,+1 90 3 -1 2.711849 -1.862936 -0.623390 Rho 0.1437427E+00 |GRAD(Rho)| 0.5055248E-14 GRAD(Rho)x -0.1021190E-14 GRAD(Rho)y -0.3937904E-14 GRAD(Rho)z 0.3000936E-14 Laplacian 0.5929819E+00 (-1/4)Del**2(Rho)) -0.1482455E+00 Diamond 0.1147084E+01 Metallicity 0.4583687E+01 Ellipticity 0.7369833E-02 Gb(Abramov) 0.2120821E+00 Vb(Abramov) -0.2759188E+00 Hb(Abramov) -0.6383665E-01 Ex_ueg -0.5561172E-01 Ec_ueg -0.8044170E-02 Delta_ex -0.6307554E-01 Delta_ec 0.1530536E-01 Delta_et -0.2027279E+00 Pxc 0.6913294E+01 Qxc -0.4121141E+01 3,-1 91 3 +1 1.984236 -2.017285 2.049003 Rho 0.1261903E-01 |GRAD(Rho)| 0.2668449E-16 GRAD(Rho)x -0.2394145E-16 GRAD(Rho)y -0.7920696E-17 GRAD(Rho)z 0.8725331E-17 Laplacian 0.5941935E-01 (-1/4)Del**2(Rho)) -0.1485484E-01 Diamond 0.2200680E-02 Metallicity 0.7932231E+00 Ellipticity -0.1206169E+01 Gb(Abramov) 0.1186709E-01 Vb(Abramov) -0.8879346E-02 Hb(Abramov) 0.2987746E-02 Ex_ueg -0.2169801E-02 Ec_ueg -0.4882206E-03 Delta_ex -0.2865129E-02 Delta_ec 0.6022186E-03 Delta_et -0.4697717E-02 Pxc 0.4444303E+01 Qxc -0.4757624E+01 3,+1 92 3 -1 1.923934 -3.015367 0.838933 Rho 0.1243359E+00 |GRAD(Rho)| 0.6939890E-15 GRAD(Rho)x -0.2904510E-15 GRAD(Rho)y -0.2607506E-16 GRAD(Rho)z 0.6297453E-15 Laplacian 0.4846548E+00 (-1/4)Del**2(Rho)) -0.1211637E+00 Diamond 0.7939735E+00 Metallicity 0.4403943E+01 Ellipticity 0.1768288E-01 Gb(Abramov) 0.1697088E+00 Vb(Abramov) -0.2182539E+00 Hb(Abramov) -0.4854510E-01 Ex_ueg -0.4583324E-01 Ec_ueg -0.6821505E-02 Delta_ex -0.4985861E-01 Delta_ec 0.1309791E-01 Delta_et -0.1697780E+00 Pxc 0.6718934E+01 Qxc -0.3806607E+01 3,-1 93 3 +1 1.228803 -2.159983 1.090668 Rho 0.2520092E-01 |GRAD(Rho)| 0.1832158E-11 GRAD(Rho)x -0.1051772E-11 GRAD(Rho)y -0.4709846E-12 GRAD(Rho)z 0.1424343E-11 Laplacian 0.9981021E-01 (-1/4)Del**2(Rho)) -0.2495255E-01 Diamond 0.1381079E-01 Metallicity 0.1495543E+01 Ellipticity -0.4660797E+01 Gb(Abramov) 0.2285464E-01 Vb(Abramov) -0.2075672E-01 Hb(Abramov) 0.2097915E-02 Ex_ueg -0.5456829E-02 Ec_ueg -0.1098836E-02 Delta_ex -0.6286712E-02 Delta_ec 0.1811127E-02 Delta_et -0.1599190E-01 Pxc 0.4966010E+01 Qxc -0.3471161E+01 3,+1 94 3 +1 1.549157 -2.008597 -1.999831 Rho 0.6856993E-02 |GRAD(Rho)| 0.1213047E-13 GRAD(Rho)x 0.9236103E-14 GRAD(Rho)y 0.5608431E-14 GRAD(Rho)z 0.5512552E-14 Laplacian 0.3034572E-01 (-1/4)Del**2(Rho)) -0.7586430E-02 Diamond 0.9873028E-03 Metallicity 0.5620029E+00 Ellipticity -0.2130685E+01 Gb(Abramov) 0.5768219E-02 Vb(Abramov) -0.3950009E-02 Hb(Abramov) 0.1818211E-02 Ex_ueg -0.9621217E-03 Ec_ueg -0.2276817E-03 Delta_ex -0.1547892E-02 Delta_ec 0.8520214E-03 Delta_et -0.5125820E-02 Pxc 0.4225731E+01 Qxc -0.1816729E+01 3,+1 95 3 -1 2.885145 -2.015878 0.798070 Rho 0.9289636E-01 |GRAD(Rho)| 0.1479229E-13 GRAD(Rho)x -0.6017347E-14 GRAD(Rho)y -0.8297362E-14 GRAD(Rho)z -0.1066569E-13 Laplacian 0.3730612E+00 (-1/4)Del**2(Rho)) -0.9326529E-01 Diamond 0.4223240E+00 Metallicity 0.3519635E+01 Ellipticity 0.3384650E-02 Gb(Abramov) 0.1168868E+00 Vb(Abramov) -0.1405084E+00 Hb(Abramov) -0.2362153E-01 Ex_ueg -0.3107301E-01 Ec_ueg -0.4896787E-02 Delta_ex -0.3569942E-01 Delta_ec 0.1049820E-01 Delta_et -0.1283941E+00 Pxc 0.6345592E+01 Qxc -0.3400529E+01 3,-1 96 3 +3 1.781709 -1.824978 1.829480 Rho 0.1206362E-01 |GRAD(Rho)| 0.1100720E-15 GRAD(Rho)x -0.7675212E-16 GRAD(Rho)y 0.3796505E-16 GRAD(Rho)z -0.6916363E-16 Laplacian 0.5496713E-01 (-1/4)Del**2(Rho)) -0.1374178E-01 Diamond 0.1157280E-02 Metallicity 0.7954992E+00 Ellipticity -0.5080959E+00 Gb(Abramov) 0.1098312E-01 Vb(Abramov) -0.8224453E-02 Hb(Abramov) 0.2758665E-02 Ex_ueg -0.2043409E-02 Ec_ueg -0.4625069E-03 Delta_ex -0.2401114E-02 Delta_ec 0.1697535E-03 Delta_et -0.1691168E-02 Pxc 0.4418117E+01 Qxc -0.1414471E+02 3,+3 97 3 -1 3.228538 -0.113011 -3.225318 Rho 0.2346291E+00 |GRAD(Rho)| 0.2718412E-15 GRAD(Rho)x -0.2582570E-15 GRAD(Rho)y 0.5563312E-17 GRAD(Rho)z -0.8467619E-16 Laplacian 0.8515206E+00 (-1/4)Del**2(Rho)) -0.2128802E+00 Diamond 0.2938431E+01 Metallicity 0.7223058E+01 Ellipticity 0.1718136E-01 Gb(Abramov) 0.3981944E+00 Vb(Abramov) -0.5835086E+00 Hb(Abramov) -0.1853142E+00 Ex_ueg -0.1068795E+00 Ec_ueg -0.1406863E-01 Delta_ex -0.1023180E+00 Delta_ec 0.1901290E-01 Delta_et -0.2634675E+00 Pxc 0.7597006E+01 Qxc -0.5381506E+01 3,-1 98 3 +1 2.935535 0.022187 0.004063 Rho 0.4523797E-02 |GRAD(Rho)| 0.1174323E-14 GRAD(Rho)x 0.6837152E-16 GRAD(Rho)y 0.1165149E-14 GRAD(Rho)z -0.1295711E-15 Laplacian 0.1837902E-01 (-1/4)Del**2(Rho)) -0.4594755E-02 Diamond 0.4092388E-03 Metallicity 0.4639409E+00 Ellipticity -0.5182159E+01 Gb(Abramov) 0.3418452E-02 Vb(Abramov) -0.2242150E-02 Hb(Abramov) 0.1176302E-02 Ex_ueg -0.5525724E-03 Ec_ueg -0.1264778E-03 Delta_ex -0.9331341E-03 Delta_ec 0.6442492E-03 Delta_et -0.3368365E-02 Pxc 0.4368930E+01 Qxc -0.1448406E+01 3,+1 99 3 -1 3.192617 0.030807 3.206477 Rho 0.2424614E+00 |GRAD(Rho)| 0.9509304E-15 GRAD(Rho)x 0.6331741E-15 GRAD(Rho)y 0.1887325E-15 GRAD(Rho)z 0.6839147E-15 Laplacian 0.8718970E+00 (-1/4)Del**2(Rho)) -0.2179743E+00 Diamond 0.3129083E+01 Metallicity 0.7451076E+01 Ellipticity 0.5279693E-02 Gb(Abramov) 0.4160066E+00 Vb(Abramov) -0.6140390E+00 Hb(Abramov) -0.1980324E+00 Ex_ueg -0.1116628E+00 Ec_ueg -0.1460943E-01 Delta_ex -0.1056626E+00 Delta_ec 0.1927129E-01 Delta_et -0.2673372E+00 Pxc 0.7643201E+01 Qxc -0.5482902E+01 3,-1 100 3 +1 1.335107 0.964792 -2.132256 Rho 0.2501162E-01 |GRAD(Rho)| 0.4550906E-16 GRAD(Rho)x 0.7787857E-17 GRAD(Rho)y -0.9773880E-17 GRAD(Rho)z -0.4375951E-16 Laplacian 0.9688920E-01 (-1/4)Del**2(Rho)) -0.2422230E-01 Diamond 0.1237566E-01 Metallicity 0.1521391E+01 Ellipticity -0.3325416E+01 Gb(Abramov) 0.2229013E-01 Vb(Abramov) -0.2035796E-01 Hb(Abramov) 0.1932170E-02 Ex_ueg -0.5402243E-02 Ec_ueg -0.1089299E-02 Delta_ex -0.5993683E-02 Delta_ec 0.1585132E-02 Delta_et -0.1400751E-01 Pxc 0.4959375E+01 Qxc -0.3781190E+01 3,+1 101 3 -1 2.946046 0.772008 -2.000701 Rho 0.8095397E-01 |GRAD(Rho)| 0.1901104E-15 GRAD(Rho)x -0.7359192E-16 GRAD(Rho)y -0.1722255E-15 GRAD(Rho)z -0.3262771E-16 Laplacian 0.3277420E+00 (-1/4)Del**2(Rho)) -0.8193550E-01 Diamond 0.3128358E+00 Metallicity 0.3185258E+01 Ellipticity 0.5647870E-02 Gb(Abramov) 0.9812129E-01 Vb(Abramov) -0.1143071E+00 Hb(Abramov) -0.1618578E-01 Ex_ueg -0.2586441E-01 Ec_ueg -0.4186575E-02 Delta_ex -0.3036137E-01 Delta_ec 0.9443526E-02 Delta_et -0.1120986E+00 Pxc 0.6177940E+01 Qxc -0.3215046E+01 3,-1 102 3 -1 2.783693 0.576589 1.832569 Rho 0.1422194E+00 |GRAD(Rho)| 0.7803396E-14 GRAD(Rho)x -0.1209143E-14 GRAD(Rho)y -0.5317348E-14 GRAD(Rho)z 0.5581825E-14 Laplacian 0.6008649E+00 (-1/4)Del**2(Rho)) -0.1502162E+00 Diamond 0.1145688E+01 Metallicity 0.4443936E+01 Ellipticity 0.1423784E-01 Gb(Abramov) 0.2114027E+00 Vb(Abramov) -0.2725891E+00 Hb(Abramov) -0.6118646E-01 Ex_ueg -0.5482730E-01 Ec_ueg -0.7947319E-02 Delta_ex -0.6372824E-01 Delta_ec 0.1551364E-01 Delta_et -0.2050857E+00 Pxc 0.6898842E+01 Qxc -0.4107885E+01 3,-1 103 3 +1 1.668995 0.520470 0.544021 Rho 0.7216706E-02 |GRAD(Rho)| 0.7931541E-17 GRAD(Rho)x -0.6975162E-17 GRAD(Rho)y -0.3670236E-17 GRAD(Rho)z -0.8864662E-18 Laplacian 0.2923009E-01 (-1/4)Del**2(Rho)) -0.7307523E-02 Diamond 0.6688056E-03 Metallicity 0.6353524E+00 Ellipticity -0.1423892E+01 Gb(Abramov) 0.5645491E-02 Vb(Abramov) -0.3983458E-02 Hb(Abramov) 0.1662032E-02 Ex_ueg -0.1030000E-02 Ec_ueg -0.2435195E-03 Delta_ex -0.1307809E-02 Delta_ec 0.4648577E-03 Delta_et -0.2990836E-02 Pxc 0.4229639E+01 Qxc -0.2813353E+01 3,+1 104 3 -1 1.660300 -0.539547 1.666976 Rho 0.3378916E-01 |GRAD(Rho)| 0.9404573E-16 GRAD(Rho)x 0.5383403E-16 GRAD(Rho)y 0.2999587E-16 GRAD(Rho)z 0.7104044E-16 Laplacian 0.1296318E+00 (-1/4)Del**2(Rho)) -0.3240795E-01 Diamond 0.3720654E-01 Metallicity 0.1877287E+01 Ellipticity 0.5898996E-01 Gb(Abramov) 0.3174513E-01 Vb(Abramov) -0.3108232E-01 Hb(Abramov) 0.6628144E-03 Ex_ueg -0.8067795E-02 Ec_ueg -0.1540662E-02 Delta_ex -0.9582315E-02 Delta_ec 0.3695462E-02 Delta_et -0.3507483E-01 Pxc 0.5236578E+01 Qxc -0.2592996E+01 3,-1 105 3 -1 1.692092 1.647344 -0.528251 Rho 0.3251279E-01 |GRAD(Rho)| 0.1009212E-15 GRAD(Rho)x 0.4494134E-16 GRAD(Rho)y 0.8776405E-16 GRAD(Rho)z 0.2151347E-16 Laplacian 0.1243135E+00 (-1/4)Del**2(Rho)) -0.3107837E-01 Diamond 0.3381948E-01 Metallicity 0.1835912E+01 Ellipticity 0.4019959E-01 Gb(Abramov) 0.3022844E-01 Vb(Abramov) -0.2937851E-01 Hb(Abramov) 0.8499291E-03 Ex_ueg -0.7664032E-02 Ec_ueg -0.1473933E-02 Delta_ex -0.9099331E-02 Delta_ec 0.3539253E-02 Delta_et -0.3324128E-01 Pxc 0.5199715E+01 Qxc -0.2570975E+01 3,-1 106 3 -1 -1.757051 -1.671561 -0.488250 Rho 0.4948388E-01 |GRAD(Rho)| 0.2235541E-12 GRAD(Rho)x 0.7446466E-13 GRAD(Rho)y -0.1286787E-12 GRAD(Rho)z 0.1669528E-12 Laplacian 0.1976388E+00 (-1/4)Del**2(Rho)) -0.4940970E-01 Diamond 0.9914476E-01 Metallicity 0.2325487E+01 Ellipticity 0.1371622E-01 Gb(Abramov) 0.5209007E-01 Vb(Abramov) -0.5477043E-01 Hb(Abramov) -0.2680369E-02 Ex_ueg -0.1341745E-01 Ec_ueg -0.2386365E-02 Delta_ex -0.1624142E-01 Delta_ec 0.5917363E-02 Delta_et -0.6223619E-01 Pxc 0.5622549E+01 Qxc -0.2744706E+01 3,-1 107 3 -1 -3.249955 -3.134860 0.076678 Rho 0.2429365E+00 |GRAD(Rho)| 0.5383664E-15 GRAD(Rho)x 0.4358493E-15 GRAD(Rho)y 0.3155028E-15 GRAD(Rho)z 0.1821460E-16 Laplacian 0.8998969E+00 (-1/4)Del**2(Rho)) -0.2249742E+00 Diamond 0.3214859E+01 Metallicity 0.7242833E+01 Ellipticity 0.1209093E-02 Gb(Abramov) 0.4215579E+00 Vb(Abramov) -0.6181417E+00 Hb(Abramov) -0.1965837E+00 Ex_ueg -0.1119547E+00 Ec_ueg -0.1464234E-01 Delta_ex -0.1089947E+00 Delta_ec 0.1966978E-01 Delta_et -0.2719494E+00 Pxc 0.7645952E+01 Qxc -0.5541227E+01 3,-1 108 3 -1 -1.701623 1.659120 0.479758 Rho 0.4086068E-01 |GRAD(Rho)| 0.3490973E-15 GRAD(Rho)x -0.3114551E-15 GRAD(Rho)y 0.1462519E-15 GRAD(Rho)z -0.5894926E-16 Laplacian 0.1598069E+00 (-1/4)Del**2(Rho)) -0.3995172E-01 Diamond 0.6072146E-01 Metallicity 0.2090228E+01 Ellipticity 0.2257263E-01 Gb(Abramov) 0.4055251E-01 Vb(Abramov) -0.4115330E-01 Hb(Abramov) -0.6007934E-03 Ex_ueg -0.1039423E-01 Ec_ueg -0.1916292E-02 Delta_ex -0.1245915E-01 Delta_ec 0.4683132E-02 Delta_et -0.4679874E-01 Pxc 0.5424139E+01 Qxc -0.2660431E+01 3,-1 109 3 +1 -2.015333 2.006055 2.039059 Rho 0.1276444E-01 |GRAD(Rho)| 0.1783038E-16 GRAD(Rho)x 0.1494026E-16 GRAD(Rho)y 0.3419967E-17 GRAD(Rho)z 0.9111253E-17 Laplacian 0.6026881E-01 (-1/4)Del**2(Rho)) -0.1506720E-01 Diamond 0.2188658E-02 Metallicity 0.7971196E+00 Ellipticity -0.1173480E+01 Gb(Abramov) 0.1204653E-01 Vb(Abramov) -0.9025855E-02 Hb(Abramov) 0.3020674E-02 Ex_ueg -0.2203201E-02 Ec_ueg -0.4949722E-03 Delta_ex -0.2894184E-02 Delta_ec 0.5732786E-03 Delta_et -0.4518999E-02 Pxc 0.4451160E+01 Qxc -0.5048478E+01 3,+1 110 3 -1 -1.812895 2.761145 -0.571732 Rho 0.1433412E+00 |GRAD(Rho)| 0.2670535E-15 GRAD(Rho)x -0.1141123E-15 GRAD(Rho)y 0.3203817E-16 GRAD(Rho)z 0.2393105E-15 Laplacian 0.5945742E+00 (-1/4)Del**2(Rho)) -0.1486436E+00 Diamond 0.1146826E+01 Metallicity 0.4550148E+01 Ellipticity 0.1149492E-01 Gb(Abramov) 0.2118207E+00 Vb(Abramov) -0.2749979E+00 Hb(Abramov) -0.6317718E-01 Ex_ueg -0.5540469E-01 Ec_ueg -0.8018628E-02 Delta_ex -0.6320727E-01 Delta_ec 0.1536679E-01 Delta_et -0.2034782E+00 Pxc 0.6909497E+01 Qxc -0.4113239E+01 3,-1 111 3 -1 -1.993696 2.935099 0.837333 Rho 0.1215064E+00 |GRAD(Rho)| 0.6549867E-15 GRAD(Rho)x -0.3238105E-15 GRAD(Rho)y -0.3233226E-15 GRAD(Rho)z -0.4686328E-15 Laplacian 0.4873578E+00 (-1/4)Del**2(Rho)) -0.1218395E+00 Diamond 0.7657461E+00 Metallicity 0.4214669E+01 Ellipticity 0.1566221E-01 Gb(Abramov) 0.1668118E+00 Vb(Abramov) -0.2117842E+00 Hb(Abramov) -0.4497235E-01 Ex_ueg -0.4444781E-01 Ec_ueg -0.6645326E-02 Delta_ex -0.4971910E-01 Delta_ec 0.1298602E-01 Delta_et -0.1672321E+00 Pxc 0.6688582E+01 Qxc -0.3828662E+01 3,-1 112 3 +3 -1.139664 1.100604 -1.126475 Rho 0.5128399E-02 |GRAD(Rho)| 0.9458318E-16 GRAD(Rho)x 0.4112603E-17 GRAD(Rho)y -0.8728476E-16 GRAD(Rho)z 0.3619993E-16 Laplacian 0.2119338E-01 (-1/4)Del**2(Rho)) -0.5298345E-02 Diamond 0.1611113E-03 Metallicity 0.4958869E+00 Ellipticity -0.2134712E+00 Gb(Abramov) 0.3970126E-02 Vb(Abramov) -0.2641908E-02 Hb(Abramov) 0.1328218E-02 Ex_ueg -0.6531718E-03 Ec_ueg -0.1524425E-03 Delta_ex -0.7444660E-03 Delta_ec 0.1059862E-03 Delta_et -0.8063048E-03 Pxc 0.4284709E+01 Qxc -0.7024182E+01 3,+3 113 3 +1 -1.144819 1.220804 2.136114 Rho 0.2467731E-01 |GRAD(Rho)| 0.8144930E-16 GRAD(Rho)x 0.3709964E-16 GRAD(Rho)y -0.6463929E-16 GRAD(Rho)z -0.3285373E-16 Laplacian 0.9731021E-01 (-1/4)Del**2(Rho)) -0.2432755E-01 Diamond 0.1313915E-01 Metallicity 0.1481214E+01 Ellipticity -0.4741940E+01 Gb(Abramov) 0.2222409E-01 Vb(Abramov) -0.2012062E-01 Hb(Abramov) 0.2103464E-02 Ex_ueg -0.5306183E-02 Ec_ueg -0.1072481E-02 Delta_ex -0.6101673E-02 Delta_ec 0.1777082E-02 Delta_et -0.1560649E-01 Pxc 0.4947577E+01 Qxc -0.3433535E+01 3,+1 114 3 -1 -0.575810 1.786081 -2.762827 Rho 0.1482798E+00 |GRAD(Rho)| 0.2011005E-15 GRAD(Rho)x -0.4515702E-16 GRAD(Rho)y 0.1405126E-15 GRAD(Rho)z -0.1365959E-15 Laplacian 0.6325536E+00 (-1/4)Del**2(Rho)) -0.1581384E+00 Diamond 0.1259288E+01 Metallicity 0.4525355E+01 Ellipticity 0.1911613E-01 Gb(Abramov) 0.2246977E+00 Vb(Abramov) -0.2912570E+00 Hb(Abramov) -0.6655928E-01 Ex_ueg -0.5796438E-01 Ec_ueg -0.8333490E-02 Delta_ex -0.6768808E-01 Delta_ec 0.1600599E-01 Delta_et -0.2125246E+00 Pxc 0.6955595E+01 Qxc -0.4228923E+01 3,-1 115 3 -1 0.084150 3.204332 3.179009 Rho 0.2415242E+00 |GRAD(Rho)| 0.4512190E-14 GRAD(Rho)x 0.1518669E-14 GRAD(Rho)y -0.4144688E-14 GRAD(Rho)z -0.9354496E-15 Laplacian 0.8782173E+00 (-1/4)Del**2(Rho)) -0.2195543E+00 Diamond 0.3128355E+01 Metallicity 0.7349858E+01 Ellipticity 0.2264662E-02 Gb(Abramov) 0.4153184E+00 Vb(Abramov) -0.6110825E+00 Hb(Abramov) -0.1957641E+00 Ex_ueg -0.1110877E+00 Ec_ueg -0.1454454E-01 Delta_ex -0.1062747E+00 Delta_ec 0.1935086E-01 Delta_et -0.2680405E+00 Pxc 0.7637758E+01 Qxc -0.5491989E+01 3,-1 116 3 +1 -1.264069 2.104011 1.117794 Rho 0.2565264E-01 |GRAD(Rho)| 0.1093109E-14 GRAD(Rho)x -0.7698147E-15 GRAD(Rho)y 0.7061524E-15 GRAD(Rho)z -0.3219018E-15 Laplacian 0.1025811E+00 (-1/4)Del**2(Rho)) -0.2564527E-01 Diamond 0.1478535E-01 Metallicity 0.1498877E+01 Ellipticity -0.5309024E+01 Gb(Abramov) 0.2350337E-01 Vb(Abramov) -0.2136146E-01 Hb(Abramov) 0.2141906E-02 Ex_ueg -0.5587632E-02 Ec_ueg -0.1121629E-02 Delta_ex -0.6516888E-02 Delta_ec 0.1906404E-02 Delta_et -0.1689901E-01 Pxc 0.4981710E+01 Qxc -0.3418419E+01 3,+1 117 3 -1 -0.829202 1.983945 2.980334 Rho 0.1286872E+00 |GRAD(Rho)| 0.1823217E-12 GRAD(Rho)x 0.1013583E-12 GRAD(Rho)y 0.1371098E-12 GRAD(Rho)z -0.6456450E-13 Laplacian 0.5122433E+00 (-1/4)Del**2(Rho)) -0.1280608E+00 Diamond 0.8662083E+00 Metallicity 0.4412612E+01 Ellipticity 0.2288169E-01 Gb(Abramov) 0.1795543E+00 Vb(Abramov) -0.2310478E+00 Hb(Abramov) -0.5149351E-01 Ex_ueg -0.4798426E-01 Ec_ueg -0.7093491E-02 Delta_ex -0.5302981E-01 Delta_ec 0.1354914E-01 Delta_et -0.1763276E+00 Pxc 0.6764548E+01 Qxc -0.3913888E+01 3,-1 118 3 -1 0.466522 1.635166 -1.694440 Rho 0.4419274E-01 |GRAD(Rho)| 0.1068133E-14 GRAD(Rho)x -0.2742595E-15 GRAD(Rho)y 0.6319954E-15 GRAD(Rho)z -0.8162552E-15 Laplacian 0.1750746E+00 (-1/4)Del**2(Rho)) -0.4376864E-01 Diamond 0.7459238E-01 Metallicity 0.2174245E+01 Ellipticity 0.1241103E-01 Gb(Abramov) 0.4503972E-01 Vb(Abramov) -0.4631079E-01 Hb(Abramov) -0.1271075E-02 Ex_ueg -0.1153948E-01 Ec_ueg -0.2096478E-02 Delta_ex -0.1394910E-01 Delta_ec 0.5180903E-02 Delta_et -0.5287485E-01 Pxc 0.5504223E+01 Qxc -0.2692408E+01 3,-1 119 3 -1 -0.056343 3.168892 -3.167297 Rho 0.2431374E+00 |GRAD(Rho)| 0.1178830E-14 GRAD(Rho)x 0.1392929E-15 GRAD(Rho)y -0.1038666E-14 GRAD(Rho)z 0.5398243E-15 Laplacian 0.8891245E+00 (-1/4)Del**2(Rho)) -0.2222811E+00 Diamond 0.3187871E+01 Metallicity 0.7340690E+01 Ellipticity 0.1075449E-02 Gb(Abramov) 0.4201369E+00 Vb(Abramov) -0.6179927E+00 Hb(Abramov) -0.1978558E+00 Ex_ueg -0.1120781E+00 Ec_ueg -0.1465626E-01 Delta_ex -0.1077569E+00 Delta_ec 0.1950736E-01 Delta_et -0.2700618E+00 Pxc 0.7647113E+01 Qxc -0.5523910E+01 3,-1 120 3 +1 0.092435 2.954410 -0.071583 Rho 0.5409448E-02 |GRAD(Rho)| 0.1151186E-16 GRAD(Rho)x 0.8767984E-17 GRAD(Rho)y 0.1499746E-18 GRAD(Rho)z 0.7458079E-17 Laplacian 0.2214598E-01 (-1/4)Del**2(Rho)) -0.5536496E-02 Diamond 0.6061337E-03 Metallicity 0.5186883E+00 Ellipticity -0.5790677E+01 Gb(Abramov) 0.4169616E-02 Vb(Abramov) -0.2802737E-02 Hb(Abramov) 0.1366879E-02 Ex_ueg -0.7013298E-03 Ec_ueg -0.1645753E-03 Delta_ex -0.1144806E-02 Delta_ec 0.7451758E-03 Delta_et -0.4124500E-02 Pxc 0.4261451E+01 Qxc -0.1536290E+01 3,+1 121 3 -1 0.567160 1.800218 2.766575 Rho 0.1472944E+00 |GRAD(Rho)| 0.1244967E-11 GRAD(Rho)x 0.9221451E-12 GRAD(Rho)y -0.2392112E-12 GRAD(Rho)z 0.8014790E-12 Laplacian 0.6155498E+00 (-1/4)Del**2(Rho)) -0.1538875E+00 Diamond 0.1219583E+01 Metallicity 0.4598969E+01 Ellipticity 0.1198799E-01 Gb(Abramov) 0.2205456E+00 Vb(Abramov) -0.2872037E+00 Hb(Abramov) -0.6665812E-01 Ex_ueg -0.5745134E-01 Ec_ueg -0.8270544E-02 Delta_ex -0.6580078E-01 Delta_ec 0.1567295E-01 Delta_et -0.2080694E+00 Pxc 0.6946501E+01 Qxc -0.4198367E+01 3,-1 122 3 -1 -0.480200 1.689549 1.680382 Rho 0.4085672E-01 |GRAD(Rho)| 0.5558405E-13 GRAD(Rho)x -0.2432095E-14 GRAD(Rho)y 0.2413628E-13 GRAD(Rho)z 0.5001111E-13 Laplacian 0.1619645E+00 (-1/4)Del**2(Rho)) -0.4049113E-01 Diamond 0.6180912E-01 Metallicity 0.2062050E+01 Ellipticity 0.2528096E-01 Gb(Abramov) 0.4090987E-01 Vb(Abramov) -0.4132862E-01 Hb(Abramov) -0.4187461E-03 Ex_ueg -0.1039289E-01 Ec_ueg -0.1916079E-02 Delta_ex -0.1264263E-01 Delta_ec 0.4774159E-02 Delta_et -0.4771079E-01 Pxc 0.5424041E+01 Qxc -0.2648137E+01 3,-1 123 3 -1 0.861083 1.976142 -2.952019 Rho 0.1512995E+00 |GRAD(Rho)| 0.4844779E-12 GRAD(Rho)x 0.3593943E-12 GRAD(Rho)y -0.2509239E-12 GRAD(Rho)z -0.2063777E-12 Laplacian 0.6069222E+00 (-1/4)Del**2(Rho)) -0.1517305E+00 Diamond 0.1237946E+01 Metallicity 0.4877635E+01 Ellipticity 0.5783095E-01 Gb(Abramov) 0.2245014E+00 Vb(Abramov) -0.2972723E+00 Hb(Abramov) -0.7277086E-01 Ex_ueg -0.5954360E-01 Ec_ueg -0.8526753E-02 Delta_ex -0.6526898E-01 Delta_ec 0.1528179E-01 Delta_et -0.2034770E+00 Pxc 0.6983150E+01 Qxc -0.4271031E+01 3,-1 124 3 +3 -0.177244 -0.488552 -2.590382 Rho 0.2891571E-02 |GRAD(Rho)| 0.8358713E-17 GRAD(Rho)x 0.7609423E-17 GRAD(Rho)y -0.1537550E-17 GRAD(Rho)z -0.3098499E-17 Laplacian 0.1154500E-01 (-1/4)Del**2(Rho)) -0.2886249E-02 Diamond 0.7824372E-04 Metallicity 0.3503019E+00 Ellipticity -0.7277089E+00 Gb(Abramov) 0.2092676E-02 Vb(Abramov) -0.1299103E-02 Hb(Abramov) 0.7935734E-03 Ex_ueg -0.3042498E-03 Ec_ueg -0.5733841E-04 Delta_ex -0.4207376E-03 Delta_ec 0.1885662E-03 Delta_et -0.9405798E-03 Pxc 0.5306212E+01 Qxc -0.2231246E+01 3,+3 125 3 +1 0.579541 -1.539553 -1.659737 Rho 0.2839431E-02 |GRAD(Rho)| 0.3409853E-17 GRAD(Rho)x 0.2489747E-17 GRAD(Rho)y -0.2328705E-17 GRAD(Rho)z -0.7337423E-19 Laplacian 0.1107379E-01 (-1/4)Del**2(Rho)) -0.2768448E-02 Diamond 0.6918527E-04 Metallicity 0.3542982E+00 Ellipticity -0.1091616E+01 Gb(Abramov) 0.2009108E-02 Vb(Abramov) -0.1249768E-02 Hb(Abramov) 0.7593401E-03 Ex_ueg -0.2969569E-03 Ec_ueg -0.5515352E-04 Delta_ex -0.3939712E-03 Delta_ec 0.1665890E-03 Delta_et -0.8381464E-03 Pxc 0.5384188E+01 Qxc -0.2364929E+01 3,+1 126 3 -1 0.832574 2.959420 -1.940101 Rho 0.1393300E+00 |GRAD(Rho)| 0.2016920E-12 GRAD(Rho)x -0.1437162E-12 GRAD(Rho)y -0.7430714E-13 GRAD(Rho)z -0.1204316E-12 Laplacian 0.5534441E+00 (-1/4)Del**2(Rho)) -0.1383610E+00 Diamond 0.1028236E+01 Metallicity 0.4662444E+01 Ellipticity 0.3392651E-01 Gb(Abramov) 0.1997574E+00 Vb(Abramov) -0.2611538E+00 Hb(Abramov) -0.6139640E-01 Ex_ueg -0.5334713E-01 Ec_ueg -0.7764016E-02 Delta_ex -0.5839146E-01 Delta_ec 0.1433476E-01 Delta_et -0.1888621E+00 Pxc 0.6871074E+01 Qxc -0.4073418E+01 3,-1 127 3 +3 1.108455 1.067658 1.058813 Rho 0.4496652E-02 |GRAD(Rho)| 0.8110828E-15 GRAD(Rho)x -0.9819643E-16 GRAD(Rho)y -0.6738249E-15 GRAD(Rho)z 0.4406504E-15 Laplacian 0.1839427E-01 (-1/4)Del**2(Rho)) -0.4598567E-02 Diamond 0.1238050E-03 Metallicity 0.4589296E+00 Ellipticity -0.7772209E-01 Gb(Abramov) 0.3417448E-02 Vb(Abramov) -0.2236328E-02 Hb(Abramov) 0.1181119E-02 Ex_ueg -0.5481559E-03 Ec_ueg -0.1253164E-03 Delta_ex -0.6307243E-03 Delta_ec 0.1053053E-03 Delta_et -0.7475202E-03 Pxc 0.4374175E+01 Qxc -0.5989481E+01 3,+3 128 3 -1 1.638898 0.384054 -1.758979 Rho 0.3540173E-01 |GRAD(Rho)| 0.1874408E-15 GRAD(Rho)x 0.1137394E-15 GRAD(Rho)y -0.5008559E-16 GRAD(Rho)z -0.1403169E-15 Laplacian 0.1350137E+00 (-1/4)Del**2(Rho)) -0.3375343E-01 Diamond 0.4254504E-01 Metallicity 0.1948092E+01 Ellipticity 0.3792940E-01 Gb(Abramov) 0.3346142E-01 Vb(Abramov) -0.3316940E-01 Hb(Abramov) 0.2920122E-03 Ex_ueg -0.8585213E-02 Ec_ueg -0.1625455E-02 Delta_ex -0.1018171E-01 Delta_ec 0.4000971E-02 Delta_et -0.3846425E-01 Pxc 0.5281729E+01 Qxc -0.2544810E+01 3,-1 129 3 +1 2.061816 -1.351124 1.031591 Rho 0.2377424E-01 |GRAD(Rho)| 0.2863395E-14 GRAD(Rho)x 0.1401986E-14 GRAD(Rho)y -0.2172372E-14 GRAD(Rho)z -0.1230554E-14 Laplacian 0.9308110E-01 (-1/4)Del**2(Rho)) -0.2327028E-01 Diamond 0.1170184E-01 Metallicity 0.1455223E+01 Ellipticity -0.3894728E+01 Gb(Abramov) 0.2115742E-01 Vb(Abramov) -0.1904457E-01 Hb(Abramov) 0.2112853E-02 Ex_ueg -0.5048867E-02 Ec_ueg -0.1027199E-02 Delta_ex -0.5751739E-02 Delta_ec 0.1650373E-02 Delta_et -0.1437053E-01 Pxc 0.4915178E+01 Qxc -0.3485115E+01 3,+1 130 3 -1 1.950856 -0.839205 2.996003 Rho 0.1408308E+00 |GRAD(Rho)| 0.1234060E-12 GRAD(Rho)x 0.5553008E-13 GRAD(Rho)y 0.7501095E-13 GRAD(Rho)z -0.8073907E-13 Laplacian 0.5597406E+00 (-1/4)Del**2(Rho)) -0.1399352E+00 Diamond 0.1056299E+01 Metallicity 0.4693059E+01 Ellipticity 0.2774493E-01 Gb(Abramov) 0.2027441E+00 Vb(Abramov) -0.2655530E+00 Hb(Abramov) -0.6280893E-01 Ex_ueg -0.5411472E-01 Ec_ueg -0.7859165E-02 Delta_ex -0.5924137E-01 Delta_ec 0.1451606E-01 Delta_et -0.1916780E+00 Pxc 0.6885557E+01 Qxc -0.4081092E+01 3,-1 131 3 -1 1.862467 -0.655924 -3.013216 Rho 0.2377959E+00 |GRAD(Rho)| 0.6109915E-08 GRAD(Rho)x -0.4022048E-08 GRAD(Rho)y -0.3923334E-08 GRAD(Rho)z -0.2400341E-08 Laplacian 0.9084800E+00 (-1/4)Del**2(Rho)) -0.2271200E+00 Diamond 0.3146284E+01 Metallicity 0.6923172E+01 Ellipticity 0.1549556E-01 Gb(Abramov) 0.4134785E+00 Vb(Abramov) -0.5998369E+00 Hb(Abramov) -0.1863585E+00 Ex_ueg -0.1088072E+00 Ec_ueg -0.1428688E-01 Delta_ex -0.1093303E+00 Delta_ec 0.1982310E-01 Delta_et -0.2731821E+00 Pxc 0.7615879E+01 Qxc -0.5515299E+01 3,-1 132 3 +3 2.334280 0.001002 0.026070 Rho 0.3899497E-02 |GRAD(Rho)| 0.3207404E-15 GRAD(Rho)x -0.1750328E-15 GRAD(Rho)y -0.1759480E-15 GRAD(Rho)z 0.2031753E-15 Laplacian 0.1622866E-01 (-1/4)Del**2(Rho)) -0.4057164E-02 Diamond 0.1229550E-03 Metallicity 0.4102151E+00 Ellipticity -0.2516832E+00 Gb(Abramov) 0.2982161E-02 Vb(Abramov) -0.1907158E-02 Hb(Abramov) 0.1075003E-02 Ex_ueg -0.4533113E-03 Ec_ueg -0.9986550E-04 Delta_ex -0.5782753E-03 Delta_ec 0.1690980E-03 Delta_et -0.9931239E-03 Pxc 0.4539218E+01 Qxc -0.3419765E+01 3,+3 133 3 +1 1.751757 1.767767 1.774995 Rho 0.1252486E-01 |GRAD(Rho)| 0.1129316E-16 GRAD(Rho)x -0.4838785E-17 GRAD(Rho)y 0.5732790E-17 GRAD(Rho)z 0.8441371E-17 Laplacian 0.6274329E-01 (-1/4)Del**2(Rho)) -0.1568582E-01 Diamond 0.2625818E-02 Metallicity 0.7418803E+00 Ellipticity -0.1254125E+01 Gb(Abramov) 0.1239671E-01 Vb(Abramov) -0.9107608E-02 Hb(Abramov) 0.3289107E-02 Ex_ueg -0.2148236E-02 Ec_ueg -0.4838521E-03 Delta_ex -0.3108168E-02 Delta_ec 0.7947269E-03 Delta_et -0.6036488E-02 Pxc 0.4439862E+01 Qxc -0.3910989E+01 3,+1 134 3 -1 2.950033 -0.854821 1.985596 Rho 0.1757434E+00 |GRAD(Rho)| 0.4252681E-12 GRAD(Rho)x -0.1429939E-12 GRAD(Rho)y 0.3340001E-12 GRAD(Rho)z 0.2210195E-12 Laplacian 0.6912289E+00 (-1/4)Del**2(Rho)) -0.1728072E+00 Diamond 0.1685211E+01 Metallicity 0.5496963E+01 Ellipticity 0.5085125E-01 Gb(Abramov) 0.2735240E+00 Vb(Abramov) -0.3742407E+00 Hb(Abramov) -0.1007167E+00 Ex_ueg -0.7270377E-01 Ec_ueg -0.1011135E-01 Delta_ex -0.7713696E-01 Delta_ec 0.1671466E-01 Delta_et -0.2265723E+00 Pxc 0.7190311E+01 Qxc -0.4614928E+01 3,-1 135 3 +1 2.105034 0.966265 -1.377311 Rho 0.2157022E-01 |GRAD(Rho)| 0.3999918E-16 GRAD(Rho)x -0.2564710E-16 GRAD(Rho)y 0.1125977E-16 GRAD(Rho)z 0.2855483E-16 Laplacian 0.8155185E-01 (-1/4)Del**2(Rho)) -0.2038796E-01 Diamond 0.8302845E-02 Metallicity 0.1412332E+01 Ellipticity -0.2765084E+01 Gb(Abramov) 0.1839107E-01 Vb(Abramov) -0.1639418E-01 Hb(Abramov) 0.1996891E-02 Ex_ueg -0.4434634E-02 Ec_ueg -0.9176307E-03 Delta_ex -0.4823649E-02 Delta_ec 0.1288600E-02 Delta_et -0.1099834E-01 Pxc 0.4832700E+01 Qxc -0.3743326E+01 3,+1 136 3 -1 -3.221080 3.154378 -0.080507 Rho 0.2392380E+00 |GRAD(Rho)| 0.6862550E-14 GRAD(Rho)x 0.6192963E-15 GRAD(Rho)y 0.4859394E-14 GRAD(Rho)z -0.4805970E-14 Laplacian 0.8715364E+00 (-1/4)Del**2(Rho)) -0.2178841E+00 Diamond 0.3066540E+01 Metallicity 0.7289729E+01 Ellipticity 0.7578700E-02 Gb(Abramov) 0.4099754E+00 Vb(Abramov) -0.6020667E+00 Hb(Abramov) -0.1920913E+00 Ex_ueg -0.1096879E+00 Ec_ueg -0.1438646E-01 Delta_ex -0.1051902E+00 Delta_ec 0.1923237E-01 Delta_et -0.2662022E+00 Pxc 0.7624385E+01 Qxc -0.5469436E+01 3,-1 137 3 -1 -2.800435 1.769247 -0.558342 Rho 0.1899641E+00 |GRAD(Rho)| 0.1389554E-13 GRAD(Rho)x 0.7170154E-14 GRAD(Rho)y -0.1187386E-13 GRAD(Rho)z -0.8285744E-15 Laplacian 0.7775015E+00 (-1/4)Del**2(Rho)) -0.1943754E+00 Diamond 0.2062070E+01 Metallicity 0.5563711E+01 Ellipticity 0.1810933E-01 Gb(Abramov) 0.3098250E+00 Vb(Abramov) -0.4252746E+00 Hb(Abramov) -0.1154496E+00 Ex_ueg -0.8065176E-01 Ec_ueg -0.1104924E-01 Delta_ex -0.8834675E-01 Delta_ec 0.1816736E-01 Delta_et -0.2473749E+00 Pxc 0.7299306E+01 Qxc -0.4862937E+01 3,-1 138 3 -1 -2.992407 1.956720 0.858719 Rho 0.1330210E+00 |GRAD(Rho)| 0.1399709E-15 GRAD(Rho)x 0.9473216E-16 GRAD(Rho)y 0.7163866E-16 GRAD(Rho)z -0.7406456E-16 Laplacian 0.5240540E+00 (-1/4)Del**2(Rho)) -0.1310135E+00 Diamond 0.9260244E+00 Metallicity 0.4557961E+01 Ellipticity 0.2379782E-01 Gb(Abramov) 0.1868681E+00 Vb(Abramov) -0.2427226E+00 Hb(Abramov) -0.5585457E-01 Ex_ueg -0.5015087E-01 Ec_ueg -0.7365640E-02 Delta_ex -0.5473261E-01 Delta_ec 0.1383301E-01 Delta_et -0.1811469E+00 Pxc 0.6808760E+01 Qxc -0.3956668E+01 3,-1 139 3 +1 -1.778289 -1.738317 1.809699 Rho 0.1258648E-01 |GRAD(Rho)| 0.3813112E-15 GRAD(Rho)x 0.2128301E-15 GRAD(Rho)y -0.3103441E-15 GRAD(Rho)z -0.6154796E-16 Laplacian 0.6332420E-01 (-1/4)Del**2(Rho)) -0.1583105E-01 Diamond 0.2669107E-02 Metallicity 0.7411125E+00 Ellipticity -0.1247674E+01 Gb(Abramov) 0.1250946E-01 Vb(Abramov) -0.9187879E-02 Hb(Abramov) 0.3321585E-02 Ex_ueg -0.2162341E-02 Ec_ueg -0.4867104E-03 Delta_ex -0.3141325E-02 Delta_ec 0.8025972E-03 Delta_et -0.6103106E-02 Pxc 0.4442768E+01 Qxc -0.3913950E+01 3,+1 140 3 +1 -2.185306 -1.110507 -1.324936 Rho 0.2817377E-01 |GRAD(Rho)| 0.2580910E-16 GRAD(Rho)x 0.1728558E-16 GRAD(Rho)y -0.6400636E-17 GRAD(Rho)z 0.1806516E-16 Laplacian 0.1159182E+00 (-1/4)Del**2(Rho)) -0.2897955E-01 Diamond 0.1852296E-01 Metallicity 0.1550731E+01 Ellipticity -0.4366460E+01 Gb(Abramov) 0.2680962E-01 Vb(Abramov) -0.2463968E-01 Hb(Abramov) 0.2169936E-02 Ex_ueg -0.6331574E-02 Ec_ueg -0.1249799E-02 Delta_ex -0.7504391E-02 Delta_ec 0.2074422E-02 Delta_et -0.1883377E-01 Pxc 0.5066075E+01 Qxc -0.3617582E+01 3,+1 141 3 +1 0.552962 1.675326 0.488063 Rho 0.7879908E-02 |GRAD(Rho)| 0.1221941E-14 GRAD(Rho)x -0.1026787E-14 GRAD(Rho)y -0.4952381E-15 GRAD(Rho)z 0.4399859E-15 Laplacian 0.3257516E-01 (-1/4)Del**2(Rho)) -0.8143790E-02 Diamond 0.8247745E-03 Metallicity 0.6600779E+00 Ellipticity -0.1416803E+01 Gb(Abramov) 0.6325116E-02 Vb(Abramov) -0.4506442E-02 Hb(Abramov) 0.1818674E-02 Ex_ueg -0.1158101E-02 Ec_ueg -0.2728773E-03 Delta_ex -0.1481482E-02 Delta_ec 0.5044020E-03 Delta_et -0.3332362E-02 Pxc 0.4244037E+01 Qxc -0.2937105E+01 3,+1 142 3 -1 0.301546 0.309229 -0.403775 Rho 0.1988549E+00 |GRAD(Rho)| 0.9952880E-15 GRAD(Rho)x 0.7399964E-15 GRAD(Rho)y 0.3535933E-15 GRAD(Rho)z -0.5638930E-15 Laplacian 0.6776631E+00 (-1/4)Del**2(Rho)) -0.1694158E+00 Diamond 0.2141546E+01 Metallicity 0.6889056E+01 Ellipticity 0.1800895E-02 Gb(Abramov) 0.3074630E+00 Vb(Abramov) -0.4455101E+00 Hb(Abramov) -0.1380472E+00 Ex_ueg -0.8572352E-01 Ec_ueg -0.1164142E-01 Delta_ex -0.7956619E-01 Delta_ec 0.1860204E-01 Delta_et -0.2645893E+00 Pxc 0.7363666E+01 Qxc -0.4277282E+01 3,-1 143 3 -1 0.834082 -2.984403 2.031676 Rho 0.1547916E+00 |GRAD(Rho)| 0.2813787E-13 GRAD(Rho)x -0.2075049E-13 GRAD(Rho)y 0.1027719E-13 GRAD(Rho)z 0.1598550E-13 Laplacian 0.6188010E+00 (-1/4)Del**2(Rho)) -0.1547003E+00 Diamond 0.1297990E+01 Metallicity 0.4969444E+01 Ellipticity 0.5762269E-01 Gb(Abramov) 0.2312626E+00 Vb(Abramov) -0.3078249E+00 Hb(Abramov) -0.7656230E-01 Ex_ueg -0.6138302E-01 Ec_ueg -0.8750948E-02 Delta_ex -0.6692928E-01 Delta_ec 0.1550477E-01 Delta_et -0.2071101E+00 Pxc 0.7014443E+01 Qxc -0.4316690E+01 3,-1 144 3 -1 1.792515 0.548313 2.775191 Rho 0.1313782E+00 |GRAD(Rho)| 0.8325954E-16 GRAD(Rho)x 0.2378469E-16 GRAD(Rho)y -0.3355606E-16 GRAD(Rho)z -0.7239082E-16 Laplacian 0.5504373E+00 (-1/4)Del**2(Rho)) -0.1376093E+00 Diamond 0.9511924E+00 Metallicity 0.4250538E+01 Ellipticity 0.1230966E-01 Gb(Abramov) 0.1892252E+00 Vb(Abramov) -0.2408410E+00 Hb(Abramov) -0.5161584E-01 Ex_ueg -0.4932676E-01 Ec_ueg -0.7262330E-02 Delta_ex -0.5723246E-01 Delta_ec 0.1442324E-01 Delta_et -0.1882165E+00 Pxc 0.6792140E+01 Qxc -0.3968072E+01 3,-1 145 3 +1 2.031744 2.006015 -1.995198 Rho 0.1236453E-01 |GRAD(Rho)| 0.1184267E-16 GRAD(Rho)x -0.5123068E-17 GRAD(Rho)y -0.6130201E-17 GRAD(Rho)z -0.8742066E-17 Laplacian 0.5780500E-01 (-1/4)Del**2(Rho)) -0.1445125E-01 Diamond 0.2104772E-02 Metallicity 0.7881528E+00 Ellipticity -0.1214946E+01 Gb(Abramov) 0.1153247E-01 Vb(Abramov) -0.8613681E-02 Hb(Abramov) 0.2918784E-02 Ex_ueg -0.2111650E-02 Ec_ueg -0.4764230E-03 Delta_ex -0.2778240E-02 Delta_ec 0.5973447E-03 Delta_et -0.4627588E-02 Pxc 0.4432300E+01 Qxc -0.4650984E+01 3,+1 146 3 -1 1.968917 0.791490 -3.005290 Rho 0.1274163E+00 |GRAD(Rho)| 0.2533966E-13 GRAD(Rho)x 0.1316000E-13 GRAD(Rho)y -0.2070996E-13 GRAD(Rho)z 0.6325398E-14 Laplacian 0.4961255E+00 (-1/4)Del**2(Rho)) -0.1240314E+00 Diamond 0.8375759E+00 Metallicity 0.4481223E+01 Ellipticity 0.2050926E-01 Gb(Abramov) 0.1753230E+00 Vb(Abramov) -0.2266145E+00 Hb(Abramov) -0.5129158E-01 Ex_ueg -0.4735346E-01 Ec_ueg -0.7013919E-02 Delta_ex -0.5134496E-01 Delta_ec 0.1334322E-01 Delta_et -0.1737036E+00 Pxc 0.6751355E+01 Qxc -0.3848018E+01 3,-1 147 3 -1 -0.012838 2.949159 0.032345 Rho 0.5415094E-02 |GRAD(Rho)| 0.2099838E-16 GRAD(Rho)x 0.1321403E-16 GRAD(Rho)y -0.2625878E-18 GRAD(Rho)z 0.1631724E-16 Laplacian 0.2197510E-01 (-1/4)Del**2(Rho)) -0.5493776E-02 Diamond 0.6434979E-03 Metallicity 0.5236312E+00 Ellipticity 0.1024045E+02 Gb(Abramov) 0.4141969E-02 Vb(Abramov) -0.2790163E-02 Hb(Abramov) 0.1351807E-02 Ex_ueg -0.7023060E-03 Ec_ueg -0.1648195E-03 Delta_ex -0.1170594E-02 Delta_ec 0.8008354E-03 Delta_et -0.4410956E-02 Pxc 0.4261062E+01 Qxc -0.1461716E+01 3,-1 148 3 -1 1.598988 -1.760235 0.417036 Rho 0.3980586E-01 |GRAD(Rho)| 0.1181012E-15 GRAD(Rho)x -0.9080998E-16 GRAD(Rho)y 0.6355733E-16 GRAD(Rho)z 0.4076653E-16 Laplacian 0.1543982E+00 (-1/4)Del**2(Rho)) -0.3859955E-01 Diamond 0.5733856E-01 Metallicity 0.2071171E+01 Ellipticity 0.1092468E-01 Gb(Abramov) 0.3905741E-01 Vb(Abramov) -0.3951527E-01 Hb(Abramov) -0.4578641E-03 Ex_ueg -0.1003801E-01 Ec_ueg -0.1859658E-02 Delta_ex -0.1200159E-01 Delta_ec 0.4600749E-02 Delta_et -0.4566276E-01 Pxc 0.5397773E+01 Qxc -0.2608616E+01 3,-1 149 3 -1 -1.980119 -3.071297 -0.728338 Rho 0.1536709E+00 |GRAD(Rho)| 0.4969306E-15 GRAD(Rho)x 0.3028583E-15 GRAD(Rho)y -0.2716062E-15 GRAD(Rho)z -0.2853891E-15 Laplacian 0.5789236E+00 (-1/4)Del**2(Rho)) -0.1447309E+00 Diamond 0.1234265E+01 Metallicity 0.5247806E+01 Ellipticity 0.1156387E+00 Gb(Abramov) 0.2230739E+00 Vb(Abramov) -0.3014169E+00 Hb(Abramov) -0.7834298E-01 Ex_ueg -0.6079116E-01 Ec_ueg -0.8678914E-02 Delta_ex -0.6279782E-01 Delta_ec 0.1505687E-01 Delta_et -0.2021923E+00 Pxc 0.7004466E+01 Qxc -0.4170708E+01 3,-1 150 3 -1 -3.000149 -1.992427 -0.862493 Rho 0.1537919E+00 |GRAD(Rho)| 0.1870633E-11 GRAD(Rho)x -0.7835600E-12 GRAD(Rho)y 0.9706670E-12 GRAD(Rho)z -0.1393953E-11 Laplacian 0.6093686E+00 (-1/4)Del**2(Rho)) -0.1523422E+00 Diamond 0.1275674E+01 Metallicity 0.4992163E+01 Ellipticity 0.6478501E-01 Gb(Abramov) 0.2283142E+00 Vb(Abramov) -0.3042863E+00 Hb(Abramov) -0.7597208E-01 Ex_ueg -0.6085499E-01 Ec_ueg -0.8686689E-02 Delta_ex -0.6587478E-01 Delta_ec 0.1542021E-01 Delta_et -0.2061082E+00 Pxc 0.7005546E+01 Qxc -0.4271976E+01 3,-1 151 3 -1 -1.725379 -0.551967 -1.750663 Rho 0.4550225E-01 |GRAD(Rho)| 0.2999181E-13 GRAD(Rho)x -0.1765666E-13 GRAD(Rho)y 0.5347908E-14 GRAD(Rho)z -0.2364637E-13 Laplacian 0.1812530E+00 (-1/4)Del**2(Rho)) -0.4531325E-01 Diamond 0.8251441E-01 Metallicity 0.2204869E+01 Ellipticity 0.1437720E-01 Gb(Abramov) 0.4686047E-01 Vb(Abramov) -0.4840768E-01 Hb(Abramov) -0.1547211E-02 Ex_ueg -0.1199763E-01 Ec_ueg -0.2167806E-02 Delta_ex -0.1465292E-01 Delta_ec 0.5551250E-02 Delta_et -0.5713394E-01 Pxc 0.5534459E+01 Qxc -0.2639571E+01 3,-1 152 3 -1 -2.105792 -0.882307 -3.246481 Rho 0.2342937E+00 |GRAD(Rho)| 0.2080317E-10 GRAD(Rho)x 0.8609785E-11 GRAD(Rho)y -0.1422992E-10 GRAD(Rho)z -0.1249611E-10 Laplacian 0.9038246E+00 (-1/4)Del**2(Rho)) -0.2259562E+00 Diamond 0.3060527E+01 Metallicity 0.6788860E+01 Ellipticity 0.1605634E-01 Gb(Abramov) 0.4063015E+00 Vb(Abramov) -0.5866469E+00 Hb(Abramov) -0.1803454E+00 Ex_ueg -0.1066758E+00 Ec_ueg -0.1404555E-01 Delta_ex -0.1082709E+00 Delta_ec 0.1966878E-01 Delta_et -0.2703201E+00 Pxc 0.7594991E+01 Qxc -0.5504711E+01 3,-1 153 3 -1 -1.809519 -0.560422 2.827282 Rho 0.1471448E+00 |GRAD(Rho)| 0.2377338E-12 GRAD(Rho)x -0.1708357E-12 GRAD(Rho)y 0.1571156E-12 GRAD(Rho)z -0.5145136E-13 Laplacian 0.6200810E+00 (-1/4)Del**2(Rho)) -0.1550202E+00 Diamond 0.1226773E+01 Metallicity 0.4557637E+01 Ellipticity 0.1547077E-01 Gb(Abramov) 0.2211012E+00 Vb(Abramov) -0.2871821E+00 Hb(Abramov) -0.6608092E-01 Ex_ueg -0.5737355E-01 Ec_ueg -0.8260993E-02 Delta_ex -0.6626569E-01 Delta_ec 0.1578703E-01 Delta_et -0.2095418E+00 Pxc 0.6945115E+01 Qxc -0.4197478E+01 3,-1 154 3 -1 1.338825 -2.147595 -2.144946 Rho 0.7025121E-02 |GRAD(Rho)| 0.7970946E-17 GRAD(Rho)x -0.1539906E-17 GRAD(Rho)y 0.3178915E-17 GRAD(Rho)z -0.7145570E-17 Laplacian 0.2873799E-01 (-1/4)Del**2(Rho)) -0.7184498E-02 Diamond 0.1362012E-02 Metallicity 0.6178927E+00 Ellipticity 0.7688866E+00 Gb(Abramov) 0.5529540E-02 Vb(Abramov) -0.3874582E-02 Hb(Abramov) 0.1654958E-02 Ex_ueg -0.9937034E-03 Ec_ueg -0.2350766E-03 Delta_ex -0.1707006E-02 Delta_ec 0.1224033E-02 Delta_et -0.7237490E-02 Pxc 0.4227147E+01 Qxc -0.1394575E+01 3,-1 155 3 -1 -0.462656 -0.393455 -0.388325 Rho 0.2076910E+00 |GRAD(Rho)| 0.1326180E-13 GRAD(Rho)x 0.8268626E-14 GRAD(Rho)y 0.7222781E-14 GRAD(Rho)z 0.7438855E-14 Laplacian 0.7718836E+00 (-1/4)Del**2(Rho)) -0.1929709E+00 Diamond 0.2528258E+01 Metallicity 0.6502658E+01 Ellipticity 0.3696635E-01 Gb(Abramov) 0.3377846E+00 Vb(Abramov) -0.4825982E+00 Hb(Abramov) -0.1448137E+00 Ex_ueg -0.9083964E-01 Ec_ueg -0.1223435E-01 Delta_ex -0.9134278E-01 Delta_ec 0.2047251E-01 Delta_et -0.2913103E+00 Pxc 0.7424966E+01 Qxc -0.4461728E+01 3,-1 156 3 -1 0.809073 -1.964143 3.008579 Rho 0.1417762E+00 |GRAD(Rho)| 0.2021116E-15 GRAD(Rho)x 0.1328283E-15 GRAD(Rho)y 0.1142478E-15 GRAD(Rho)z 0.1007630E-15 Laplacian 0.5645106E+00 (-1/4)Del**2(Rho)) -0.1411276E+00 Diamond 0.1070465E+01 Metallicity 0.4705580E+01 Ellipticity 0.3285328E-01 Gb(Abramov) 0.2047663E+00 Vb(Abramov) -0.2684050E+00 Hb(Abramov) -0.6363868E-01 Ex_ueg -0.5459959E-01 Ec_ueg -0.7919166E-02 Delta_ex -0.5980677E-01 Delta_ec 0.1455014E-01 Delta_et -0.1921829E+00 Pxc 0.6894613E+01 Qxc -0.4110392E+01 3,-1 157 3 -1 0.448092 -1.722475 1.679223 Rho 0.4074546E-01 |GRAD(Rho)| 0.4778011E-16 GRAD(Rho)x 0.2435220E-17 GRAD(Rho)y -0.2181173E-16 GRAD(Rho)z -0.4244122E-16 Laplacian 0.1605338E+00 (-1/4)Del**2(Rho)) -0.4013344E-01 Diamond 0.6093413E-01 Metallicity 0.2070994E+01 Ellipticity 0.1249201E-01 Gb(Abramov) 0.4060832E-01 Vb(Abramov) -0.4108319E-01 Hb(Abramov) -0.4748730E-03 Ex_ueg -0.1035517E-01 Ec_ueg -0.1910096E-02 Delta_ex -0.1251666E-01 Delta_ec 0.4721736E-02 Delta_et -0.4715109E-01 Pxc 0.5421284E+01 Qxc -0.2650860E+01 3,-1 158 3 -1 1.986404 2.968487 -0.828757 Rho 0.1431921E+00 |GRAD(Rho)| 0.6174726E-16 GRAD(Rho)x -0.9554532E-17 GRAD(Rho)y -0.3293264E-16 GRAD(Rho)z 0.5135053E-16 Laplacian 0.5664099E+00 (-1/4)Del**2(Rho)) -0.1416025E+00 Diamond 0.1090891E+01 Metallicity 0.4768124E+01 Ellipticity 0.2832016E-01 Gb(Abramov) 0.2069313E+00 Vb(Abramov) -0.2722602E+00 Hb(Abramov) -0.6532888E-01 Ex_ueg -0.5532786E-01 Ec_ueg -0.8009146E-02 Delta_ex -0.6019531E-01 Delta_ec 0.1463793E-01 Delta_et -0.1937872E+00 Pxc 0.6908085E+01 Qxc -0.4112282E+01 3,-1 159 3 +3 1.834385 1.782027 -1.802009 Rho 0.1182041E-01 |GRAD(Rho)| 0.9995477E-17 GRAD(Rho)x 0.3391554E-17 GRAD(Rho)y -0.4663284E-17 GRAD(Rho)z 0.8164601E-17 Laplacian 0.5359198E-01 (-1/4)Del**2(Rho)) -0.1339799E-01 Diamond 0.1113492E-02 Metallicity 0.7886806E+00 Ellipticity -0.4897791E+00 Gb(Abramov) 0.1069312E-01 Vb(Abramov) -0.7988244E-02 Hb(Abramov) 0.2704875E-02 Ex_ueg -0.1988666E-02 Ec_ueg -0.4512850E-03 Delta_ex -0.2331934E-02 Delta_ec 0.1744662E-03 Delta_et -0.1707070E-02 Pxc 0.4406675E+01 Qxc -0.1336611E+02 3,+3 160 3 -1 -1.839710 -2.759705 0.609393 Rho 0.1273959E+00 |GRAD(Rho)| 0.5650955E-12 GRAD(Rho)x 0.3925546E-12 GRAD(Rho)y -0.1313126E-12 GRAD(Rho)z 0.3846958E-12 Laplacian 0.5311661E+00 (-1/4)Del**2(Rho)) -0.1327915E+00 Diamond 0.8904521E+00 Metallicity 0.4184484E+01 Ellipticity 0.1956617E-01 Gb(Abramov) 0.1811383E+00 Vb(Abramov) -0.2294852E+00 Hb(Abramov) -0.4834682E-01 Ex_ueg -0.4734335E-01 Ec_ueg -0.7012643E-02 Delta_ex -0.5489361E-01 Delta_ec 0.1415111E-01 Delta_et -0.1839763E+00 Pxc 0.6751142E+01 Qxc -0.3879103E+01 3,-1 161 3 +1 1.286023 2.068293 -1.057367 Rho 0.2325813E-01 |GRAD(Rho)| 0.9763875E-14 GRAD(Rho)x 0.9658399E-14 GRAD(Rho)y -0.1406790E-14 GRAD(Rho)z -0.2636520E-15 Laplacian 0.8861655E-01 (-1/4)Del**2(Rho)) -0.2215414E-01 Diamond 0.1041987E-01 Metallicity 0.1473634E+01 Ellipticity -0.3517313E+01 Gb(Abramov) 0.2021061E-01 Vb(Abramov) -0.1826708E-01 Hb(Abramov) 0.1943530E-02 Ex_ueg -0.4903259E-02 Ec_ueg -0.1001420E-02 Delta_ex -0.5397616E-02 Delta_ec 0.1488034E-02 Delta_et -0.1290830E-01 Pxc 0.4896306E+01 Qxc -0.3627347E+01 3,+1 162 3 -1 1.742576 -2.964931 -0.585916 Rho 0.2205446E+00 |GRAD(Rho)| 0.5615339E-15 GRAD(Rho)x -0.5476305E-15 GRAD(Rho)y -0.1239785E-15 GRAD(Rho)z 0.7101524E-17 Laplacian 0.8647729E+00 (-1/4)Del**2(Rho)) -0.2161932E+00 Diamond 0.2729624E+01 Metallicity 0.6415127E+01 Ellipticity 0.2581790E-01 Gb(Abramov) 0.3752800E+00 Vb(Abramov) -0.5343667E+00 Hb(Abramov) -0.1590867E+00 Ex_ueg -0.9841177E-01 Ec_ueg -0.1310460E-01 Delta_ex -0.1020146E+00 Delta_ec 0.1922762E-01 Delta_et -0.2639304E+00 Pxc 0.7509714E+01 Qxc -0.5305628E+01 3,-1 163 3 -1 2.804397 1.813780 0.589779 Rho 0.1411348E+00 |GRAD(Rho)| 0.2216070E-13 GRAD(Rho)x -0.2641286E-14 GRAD(Rho)y 0.1563429E-13 GRAD(Rho)z -0.1548191E-13 Laplacian 0.5928261E+00 (-1/4)Del**2(Rho)) -0.1482065E+00 Diamond 0.1121417E+01 Metallicity 0.4447093E+01 Ellipticity 0.1293568E-01 Gb(Abramov) 0.2086524E+00 Vb(Abramov) -0.2690982E+00 Hb(Abramov) -0.6044586E-01 Ex_ueg -0.5427052E-01 Ec_ueg -0.7878453E-02 Delta_ex -0.6277361E-01 Delta_ec 0.1536177E-01 Delta_et -0.2029024E+00 Pxc 0.6888474E+01 Qxc -0.4086352E+01 3,-1 164 3 -1 3.007724 1.972495 -0.832479 Rho 0.1864325E+00 |GRAD(Rho)| 0.2867446E-13 GRAD(Rho)x 0.1992536E-13 GRAD(Rho)y -0.1955033E-13 GRAD(Rho)z 0.6556604E-14 Laplacian 0.7312131E+00 (-1/4)Del**2(Rho)) -0.1828033E+00 Diamond 0.1911854E+01 Metallicity 0.5733748E+01 Ellipticity 0.4825806E-01 Gb(Abramov) 0.2965602E+00 Vb(Abramov) -0.4103171E+00 Hb(Abramov) -0.1137569E+00 Ex_ueg -0.7865879E-01 Ec_ueg -0.1081525E-01 Delta_ex -0.8280944E-01 Delta_ec 0.1738261E-01 Delta_et -0.2369662E+00 Pxc 0.7272955E+01 Qxc -0.4763925E+01 3,-1 165 3 -1 3.232769 3.191618 0.045791 Rho 0.2419860E+00 |GRAD(Rho)| 0.7702979E-14 GRAD(Rho)x 0.5335901E-14 GRAD(Rho)y -0.1596488E-14 GRAD(Rho)z 0.5321210E-14 Laplacian 0.8692847E+00 (-1/4)Del**2(Rho)) -0.2173212E+00 Diamond 0.3113098E+01 Metallicity 0.7449062E+01 Ellipticity 0.5409886E-02 Gb(Abramov) 0.4146872E+00 Vb(Abramov) -0.6120533E+00 Hb(Abramov) -0.1973661E+00 Ex_ueg -0.1113710E+00 Ec_ueg -0.1457651E-01 Delta_ex -0.1052960E+00 Delta_ec 0.1923183E-01 Delta_et -0.2668039E+00 Pxc 0.7640443E+01 Qxc -0.5475088E+01 3,-1 166 3 -1 -2.978387 0.855115 2.026351 Rho 0.1469072E+00 |GRAD(Rho)| 0.1372311E-15 GRAD(Rho)x -0.3366448E-16 GRAD(Rho)y 0.1330045E-15 GRAD(Rho)z -0.2981556E-17 Laplacian 0.5870224E+00 (-1/4)Del**2(Rho)) -0.1467556E+00 Diamond 0.1159429E+01 Metallicity 0.4801352E+01 Ellipticity 0.4395031E-01 Gb(Abramov) 0.2152746E+00 Vb(Abramov) -0.2837936E+00 Hb(Abramov) -0.6851902E-01 Ex_ueg -0.5725004E-01 Ec_ueg -0.8245824E-02 Delta_ex -0.6271117E-01 Delta_ec 0.1495703E-01 Delta_et -0.1984923E+00 Pxc 0.6942913E+01 Qxc -0.4192756E+01 3,-1 167 3 -1 2.739488 -0.658330 -1.851290 Rho 0.1401281E+00 |GRAD(Rho)| 0.6993752E-14 GRAD(Rho)x -0.2059042E-14 GRAD(Rho)y -0.6544814E-14 GRAD(Rho)z -0.1355849E-14 Laplacian 0.5761374E+00 (-1/4)Del**2(Rho)) -0.1440343E+00 Diamond 0.1084812E+01 Metallicity 0.4521636E+01 Ellipticity 0.6867469E-02 Gb(Abramov) 0.2045681E+00 Vb(Abramov) -0.2651018E+00 Hb(Abramov) -0.6053371E-01 Ex_ueg -0.5375496E-01 Ec_ueg -0.7814594E-02 Delta_ex -0.6094712E-01 Delta_ec 0.1503901E-01 Delta_et -0.1985979E+00 Pxc 0.6878791E+01 Qxc -0.4052601E+01 3,-1 168 3 +3 0.035803 2.294221 -0.014069 Rho 0.4436509E-02 |GRAD(Rho)| 0.9383567E-15 GRAD(Rho)x 0.4169771E-15 GRAD(Rho)y -0.6933249E-15 GRAD(Rho)z -0.4753356E-15 Laplacian 0.1841585E-01 (-1/4)Del**2(Rho)) -0.4603963E-02 Diamond 0.1491979E-03 Metallicity 0.4482190E+00 Ellipticity -0.3122524E+00 Gb(Abramov) 0.3413239E-02 Vb(Abramov) -0.2222516E-02 Hb(Abramov) 0.1190724E-02 Ex_ueg -0.5384023E-03 Ec_ueg -0.1227447E-03 Delta_ex -0.6591283E-03 Delta_ec 0.1589047E-03 Delta_et -0.1004663E-02 Pxc 0.4386360E+01 Qxc -0.4147946E+01 3,+3 169 3 -1 -0.604559 -2.777616 1.857586 Rho 0.1531881E+00 |GRAD(Rho)| 0.1490000E-15 GRAD(Rho)x -0.6152847E-17 GRAD(Rho)y -0.9175061E-17 GRAD(Rho)z 0.1485899E-15 Laplacian 0.6440715E+00 (-1/4)Del**2(Rho)) -0.1610179E+00 Diamond 0.1334911E+01 Metallicity 0.4692317E+01 Ellipticity 0.2373627E-01 Gb(Abramov) 0.2332698E+00 Vb(Abramov) -0.3055216E+00 Hb(Abramov) -0.7225187E-01 Ex_ueg -0.6053665E-01 Ec_ueg -0.8647909E-02 Delta_ex -0.6949049E-01 Delta_ec 0.1619237E-01 Delta_et -0.2160240E+00 Pxc 0.7000149E+01 Qxc -0.4291558E+01 3,-1 170 3 -1 -0.076551 -3.196584 3.235222 Rho 0.2431342E+00 |GRAD(Rho)| 0.5714313E-15 GRAD(Rho)x 0.1092334E-15 GRAD(Rho)y 0.5116350E-15 GRAD(Rho)z -0.2298509E-15 Laplacian 0.8841526E+00 (-1/4)Del**2(Rho)) -0.2210381E+00 Diamond 0.3173901E+01 Metallicity 0.7381807E+01 Ellipticity 0.1591812E-02 Gb(Abramov) 0.4193023E+00 Vb(Abramov) -0.6175664E+00 Hb(Abramov) -0.1982641E+00 Ex_ueg -0.1120761E+00 Ec_ueg -0.1465604E-01 Delta_ex -0.1071744E+00 Delta_ec 0.1943484E-01 Delta_et -0.2692222E+00 Pxc 0.7647095E+01 Qxc -0.5514548E+01 3,-1 171 3 -1 -0.567512 2.766703 -1.778368 Rho 0.1385360E+00 |GRAD(Rho)| 0.3910415E-15 GRAD(Rho)x -0.3299227E-15 GRAD(Rho)y 0.4172145E-16 GRAD(Rho)z 0.2057274E-15 Laplacian 0.5791067E+00 (-1/4)Del**2(Rho)) -0.1447767E+00 Diamond 0.1065448E+01 Metallicity 0.4413592E+01 Ellipticity 0.7444693E-02 Gb(Abramov) 0.2030153E+00 Vb(Abramov) -0.2612539E+00 Hb(Abramov) -0.5823864E-01 Ex_ueg -0.5294218E-01 Ec_ueg -0.7713740E-02 Delta_ex -0.6097977E-01 Delta_ec 0.1495887E-01 Delta_et -0.1967875E+00 Pxc 0.6863361E+01 Qxc -0.4076495E+01 3,-1 172 3 -1 1.830405 2.771641 0.560400 Rho 0.1216564E+00 |GRAD(Rho)| 0.3855369E-14 GRAD(Rho)x 0.2845340E-14 GRAD(Rho)y -0.4571030E-15 GRAD(Rho)z -0.2561048E-14 Laplacian 0.5143597E+00 (-1/4)Del**2(Rho)) -0.1285899E+00 Diamond 0.8126902E+00 Metallicity 0.4001641E+01 Ellipticity 0.1401288E-01 Gb(Abramov) 0.1714884E+00 Vb(Abramov) -0.2143869E+00 Hb(Abramov) -0.4289848E-01 Ex_ueg -0.4452103E-01 Ec_ueg -0.6654658E-02 Delta_ex -0.5253294E-01 Delta_ec 0.1377956E-01 Delta_et -0.1776202E+00 Pxc 0.6690206E+01 Qxc -0.3812382E+01 3,-1 173 3 -1 -2.786111 -1.781918 0.585761 Rho 0.1399983E+00 |GRAD(Rho)| 0.1830786E-14 GRAD(Rho)x -0.1468755E-15 GRAD(Rho)y -0.1263421E-14 GRAD(Rho)z -0.1316804E-14 Laplacian 0.5882539E+00 (-1/4)Del**2(Rho)) -0.1470635E+00 Diamond 0.1097687E+01 Metallicity 0.4421668E+01 Ellipticity 0.1263378E-01 Gb(Abramov) 0.2064200E+00 Vb(Abramov) -0.2657765E+00 Hb(Abramov) -0.5935649E-01 Ex_ueg -0.5368858E-01 Ec_ueg -0.7806366E-02 Delta_ex -0.6211978E-01 Delta_ec 0.1518897E-01 Delta_et -0.2001999E+00 Pxc 0.6877539E+01 Qxc -0.4089796E+01 3,-1 174 3 -1 3.134799 -3.250068 -0.101762 Rho 0.2367016E+00 |GRAD(Rho)| 0.9550107E-13 GRAD(Rho)x -0.7062352E-13 GRAD(Rho)y 0.6365015E-13 GRAD(Rho)z 0.9023923E-14 Laplacian 0.8635922E+00 (-1/4)Del**2(Rho)) -0.2158980E+00 Diamond 0.3004528E+01 Metallicity 0.7227250E+01 Ellipticity 0.1355859E-01 Gb(Abramov) 0.4039902E+00 Vb(Abramov) -0.5920824E+00 Hb(Abramov) -0.1880922E+00 Ex_ueg -0.1081401E+00 Ec_ueg -0.1421140E-01 Delta_ex -0.1039671E+00 Delta_ec 0.1916242E-01 Delta_et -0.2653305E+00 Pxc 0.7609388E+01 Qxc -0.5425573E+01 3,-1 175 3 -1 0.584545 2.787723 1.794255 Rho 0.1587859E+00 |GRAD(Rho)| 0.5943508E-13 GRAD(Rho)x -0.3873459E-13 GRAD(Rho)y -0.8805429E-14 GRAD(Rho)z 0.4421114E-13 Laplacian 0.6617465E+00 (-1/4)Del**2(Rho)) -0.1654366E+00 Diamond 0.1434425E+01 Metallicity 0.4848508E+01 Ellipticity 0.1859255E-01 Gb(Abramov) 0.2439779E+00 Vb(Abramov) -0.3225191E+00 Hb(Abramov) -0.7854126E-01 Ex_ueg -0.6350399E-01 Ec_ueg -0.9008290E-02 Delta_ex -0.7205673E-01 Delta_ec 0.1652776E-01 Delta_et -0.2216419E+00 Pxc 0.7049505E+01 Qxc -0.4359741E+01 3,-1 176 3 -1 -2.761392 0.495634 -1.840050 Rho 0.7873145E-01 |GRAD(Rho)| 0.1187156E-12 GRAD(Rho)x 0.6117896E-13 GRAD(Rho)y 0.1047477E-13 GRAD(Rho)z 0.1011968E-12 Laplacian 0.3319633E+00 (-1/4)Del**2(Rho)) -0.8299083E-01 Diamond 0.3096230E+00 Metallicity 0.3002180E+01 Ellipticity 0.6187012E-02 Gb(Abramov) 0.9685279E-01 Vb(Abramov) -0.1107148E+00 Hb(Abramov) -0.1386196E-01 Ex_ueg -0.2492199E-01 Ec_ueg -0.4055852E-02 Delta_ex -0.3063597E-01 Delta_ec 0.9757783E-02 Delta_et -0.1152246E+00 Pxc 0.6144699E+01 Qxc -0.3139645E+01 3,-1 177 3 -1 -0.742583 -3.425091 -1.287641 Rho 0.3065212E+00 |GRAD(Rho)| 0.5079442E-15 GRAD(Rho)x 0.1826148E-15 GRAD(Rho)y -0.3896075E-15 GRAD(Rho)z -0.2699355E-15 Laplacian -0.1571224E+01 (-1/4)Del**2(Rho)) 0.3928059E+00 Diamond 0.5279095E+01 Metallicity -0.6111428E+01 Ellipticity 0.1941461E-02 Gb(Abramov) 0.1382303E+00 Vb(Abramov) -0.6692665E+00 Hb(Abramov) -0.5310362E+00 Ex_ueg -0.1526391E+00 Ec_ueg -0.1915887E-01 Delta_ex 0.1535933E+00 Delta_ec 0.5526702E-01 Delta_et -0.1287306E+01 Pxc 0.7967018E+01 Qxc 0.2779113E+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 75 157 74 169 156 143 170 87 155 142 82 118 114 171 123 126 119 122 121 175 117 71 115 148 90 162 95 92 174 105 163 172 164 158 165 108 137 110 138 111 136 106 173 160 150 149 107 151 176 63 53 152 61 56 55 153 166 67 62 104 102 144 134 130 99 128 167 131 101 146 97 154 75 147 79 177 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 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1.904892 1.945009 1.910099 1.738614 1.567724 1.545140 1.566299 1.573696 2.422276 1.915250 1.945107 1.918731 1.952049 1.738554 2.453451 1.921601 1.891800 1.984021 1.918580 1.741213 2.466822 1.929889 1.773048 2.116135 1.998363 1.748930 2.556530 1.936050 1.995919 1.839354 1.941055 1.740686 2.458207 1.825314 1.931775 1.971178 2.008125 1.744901 2.371508 1.940224 1.978345 1.913152 1.922335 1.738505 2.400849 2.172555 1.955079 1.979493 1.751805 1.752793 2.467987 1.942647 1.920642 1.931283 1.920551 1.738595 2.540171 1.932681 1.966366 1.862413 1.947323 1.739918 2.516717 1.939658 1.747227 2.171789 1.988110 1.752431 3.076254 3.151104 3.272442 1.711549 1.008493 27 23 23 26 23 20 21 23 21 24 27 24 23 26 26 21 27 26 25 25 23 22 31 23 22 25 23 22 29 23 23 23 24 21 29 22 25 23 25 21 28 23 23 25 28 22 27 25 23 26 23 22 29 27 27 23 23 20 29 25 23 22 23 22 29 23 22 27 25 23 33 33 35 25 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.4681 2.3809 2.4652 2.4791 2.3884 2.4489 2.4561 2.4678 2.3857 2.4674 2.4589 2.3469 -1.0465 -0.9895 -1.0438 -1.0503 -0.9592 -0.9898 -0.9283 -0.9709 -0.7606 -0.9644 -0.9772 -0.9593 -0.9648 -0.9629 -0.9615 -0.8285 -0.9610 -0.9885 -0.9477 -0.9757 -0.9735 -0.9822 -0.9721 -0.7866 -0.7894 -0.9806 -0.9770 -0.9730 -0.7944 -0.8317 -0.7917 -0.8035 -0.8224 -0.8031 -0.8131 -0.7883 -0.8269 -0.7948 -0.8007 0.3219 2.0889 2.5089 2.0937 2.0873 2.1198 2.0954 2.0919 2.1111 2.1272 2.0897 2.0928 2.1287 1.8945 1.8983 1.8955 1.8918 1.9319 1.9305 1.9416 1.9306 1.9681 1.9315 1.9299 1.9317 1.9313 1.9308 1.9326 1.9616 1.9438 1.9404 1.9459 1.9411 1.9400 1.9402 1.9412 1.9597 1.8773 1.9413 1.9405 1.9398 1.9653 1.9593 1.9655 1.9634 1.9608 1.9641 1.9624 1.9650 1.9585 1.9652 1.9645 0.5220 6.0948 7.2855 6.0978 6.0890 6.1111 6.0967 6.0940 6.0990 6.0984 6.0945 6.0958 6.1171 5.1127 5.0515 5.1091 5.1188 4.9979 5.0295 4.9564 5.0103 4.7565 5.0037 5.0177 4.9976 5.0036 5.0017 4.9992 4.8337 4.9869 5.0158 4.9711 5.0026 5.0015 5.0102 4.9990 4.7931 4.8817 5.0089 5.0044 5.0011 4.7936 4.8391 4.7906 4.8051 4.8277 4.8038 4.8163 4.7879 4.8352 4.7941 4.8009 0.1561 3.3187 0.8247 3.3137 3.3150 3.3521 3.3298 3.3286 3.2927 3.3603 3.3189 3.3232 3.3792 0.0394 0.0398 0.0393 0.0397 0.0295 0.0298 0.0303 0.0300 0.0360 0.0292 0.0296 0.0300 0.0299 0.0304 0.0297 0.0332 0.0303 0.0322 0.0306 0.0319 0.0321 0.0318 0.0318 0.0338 0.0304 0.0304 0.0321 0.0321 0.0355 0.0333 0.0355 0.0350 0.0338 0.0352 0.0345 0.0354 0.0333 0.0355 0.0353 0.0000 14.0296 0.0000 14.0295 14.0296 14.0286 14.0292 14.0295 14.0294 14.0284 14.0295 14.0293 14.0281 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 W P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.515441 2.007712 2.519756 2.512947 2.483231 2.504638 2.501223 2.536044 2.494783 2.513307 2.508047 2.467831 -1.029316 -0.980248 -1.026571 -1.036261 -0.961530 -0.978343 -0.948327 -0.967271 -0.822985 -0.970740 -0.964250 -0.962678 -0.968123 -0.959870 -0.965751 -0.792290 -0.954027 -0.951385 -0.949237 -0.956175 -0.956347 -0.957347 -0.954923 -0.837092 -0.617260 -0.963527 -0.956079 -0.956031 -0.828324 -0.876757 -0.825558 -0.840878 -0.865592 -0.839394 -0.852630 -0.821912 -0.870180 -0.829184 -0.836543 0.065977 1.936377 1.581715 1.942483 1.936321 1.918838 1.935809 1.928602 1.960915 1.942474 1.935717 1.934959 1.927672 -0.739355 -0.711355 -0.739196 -0.746267 -0.714803 -0.726373 -0.738585 -0.722167 -0.710914 -0.729200 -0.712907 -0.725936 -0.726197 -0.718489 -0.733221 -0.661018 -0.798344 -0.769167 -0.798601 -0.785339 -0.779527 -0.780546 -0.787320 -0.740738 -0.785534 -0.798133 -0.783026 -0.780373 -0.732176 -0.786812 -0.730276 -0.745247 -0.774146 -0.742227 -0.756301 -0.716763 -0.784313 -0.732249 -0.740620 0.301881 2.042439 1.539078 2.050574 2.042829 2.012392 2.039165 2.031340 2.073400 2.035350 2.042293 2.041682 2.015723 -0.801080 -0.781391 -0.803661 -0.810505 -0.801372 -0.805524 -0.795455 -0.808072 -0.719270 -0.807220 -0.806078 -0.796949 -0.800214 -0.825096 -0.807851 -0.727404 -0.828896 -0.804966 -0.822960 -0.824803 -0.813393 -0.829206 -0.818991 -0.727335 -0.793456 -0.835066 -0.826406 -0.812575 -0.695502 -0.760817 -0.696297 -0.712118 -0.742660 -0.710528 -0.723413 -0.697573 -0.768425 -0.698076 -0.707915 0.382258 -0.25342208 -0.81730550 2.67613544 2.80961063 -15.29976080 5.25477674 -3.19554995 14.00095439 6.03853588 1.29880640 -390.8794 404.0058 -26.6907 -403.4040 -42.7648 -459.7330 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 Mar14-2024 00:31:32 Nodes: 1 Procs: 1 0 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Mar14-2024 00:31:33 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Mar14-2024 00:31:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar14-2024 00:31:35 Nodes: 1 Procs: 1 Mar14-2024 00:31:36 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar14-2024 00:31:38 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -16.19949259 -16.66707463 -16.46787782 -16.65354197 -16.79997150 -16.83844307 -16.86291619 -16.86653647 -16.87241487 -16.87788813 -16.88259047 -16.88534692 -16.88603862 -16.89168732 -16.89299979 -16.89390984 -16.89407944 -16.89441594 -16.89460164 -16.89469242 -16.89476082 -16.89480542 -16.89484615 -16.89486703 -16.89487631 GEOMETRY CONVERGED