ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 0.97 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 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.47 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 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 1.39 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.05 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 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:29:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:12 Hydrogen (TZP) c10-19 c10-19 c10-19 c10-19 c10-19 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.04 2.26 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 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:29:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:25 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2369.5382000000013 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245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.262 -6.237 -6.199 -6.171 -6.122 -6.080 -6.050 -5.921 -5.860 -5.825 -3.393 -3.299 -3.173 -2.946 -2.831 -2.669 -2.662 -2.615 -2.534 -2.515 A A A A A A A A A A A A A A A A A A A A 0.00000000073036 0.00040247286627 0.00026937109155 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 74 74 74 74 74 74 74 33 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 0.085529 -2.559397 2.549172 2.424983 -2.651317 0.006576 2.597059 2.543696 -0.142027 -2.548355 2.485397 0.080425 -2.519935 -0.239746 -2.685822 -2.523686 0.151168 2.602645 2.500078 -0.019400 -2.621383 -0.075549 -0.082499 -0.085150 0.112825 2.516682 -2.554029 -0.049951 2.576305 2.535917 -2.637399 -2.532348 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0.222561 -3.757280 3.711806 -0.220799 -3.901077 -3.650471 0.280817 -3.897032 0.377874 -3.582613 -3.746756 -0.210189 3.788789 3.741052 0.206032 3.787312 -0.614131 -3.447473 -1.259812 1 3 -3 0.085529 -2.559397 2.549172 Rho 0.4361414E+07 3,-3 2 3 -3 2.424983 -2.651317 0.006576 Rho 0.4361415E+07 3,-3 3 3 -3 2.597059 2.543696 -0.142027 Rho 0.4361415E+07 3,-3 4 3 -3 -2.548355 2.485397 0.080425 Rho 0.4361414E+07 3,-3 5 3 -3 -2.519935 -0.239746 -2.685822 Rho 0.4361414E+07 3,-3 6 3 -3 -2.523686 0.151168 2.602645 Rho 0.4361414E+07 3,-3 7 3 -3 2.500078 -0.019400 -2.621383 Rho 0.4361415E+07 3,-3 8 3 -3 -0.075549 -0.082499 -0.085150 Rho 0.4276087E+05 3,-3 9 3 -3 0.112825 2.516682 -2.554029 Rho 0.1240648E+06 3,-3 10 3 -3 -0.049951 2.576305 2.535917 Rho 0.1240649E+06 3,-3 11 3 -3 -2.637399 -2.532348 -0.103283 Rho 0.1240649E+06 3,-3 12 3 -3 2.580731 -0.150883 2.550370 Rho 0.1240649E+06 3,-3 13 3 -3 0.919497 -1.066379 0.906653 Rho 0.3190147E+03 3,-3 14 3 -3 -1.065059 -1.032701 -1.071102 Rho 0.3190949E+03 3,-3 15 3 -3 0.975613 0.898921 -1.017872 Rho 0.3190316E+03 3,-3 16 3 -3 -0.967383 0.942765 0.965660 Rho 0.3190175E+03 3,-3 17 3 -3 -2.982504 -1.136398 1.159417 Rho 0.3189550E+03 3,-3 18 3 -3 2.969687 -1.180984 -1.134462 Rho 0.3188091E+03 3,-3 19 3 -3 -2.974487 1.127920 -1.077217 Rho 0.3189928E+03 3,-3 20 3 -3 2.979307 1.206703 1.207373 Rho 0.3189124E+03 3,-3 21 3 -3 1.343545 -1.124010 -3.328274 Rho 0.3193424E+03 3,-3 22 3 -3 1.107288 1.155818 3.010852 Rho 0.3190274E+03 3,-3 23 3 -3 -1.156129 1.145409 -3.006047 Rho 0.3189092E+03 3,-3 24 3 -3 -1.162809 -1.142451 3.039869 Rho 0.3188680E+03 3,-3 25 3 -3 -1.131183 3.011665 -1.118654 Rho 0.3189293E+03 3,-3 26 3 -3 -1.177197 -3.014681 1.220442 Rho 0.3189357E+03 3,-3 27 3 -3 1.146064 3.050114 1.161700 Rho 0.3189790E+03 3,-3 28 3 -3 1.191094 -3.295623 -1.083072 Rho 0.3192366E+03 3,-3 29 3 -3 3.393442 -1.476936 1.556587 Rho 0.3191322E+03 3,-3 30 3 -3 -3.463609 -1.584879 -1.558645 Rho 0.3189960E+03 3,-3 31 3 -3 3.447738 1.558054 -1.444741 Rho 0.3190445E+03 3,-3 32 3 -3 -3.433974 1.492885 1.556655 Rho 0.3189501E+03 3,-3 33 3 -3 1.457415 -1.468133 3.442294 Rho 0.3190032E+03 3,-3 34 3 -3 1.564547 1.573382 -3.395447 Rho 0.3190141E+03 3,-3 35 3 -3 -1.534196 1.511678 3.460564 Rho 0.3190135E+03 3,-3 36 3 -3 -1.852781 -1.404176 -3.817083 Rho 0.3192895E+03 3,-3 37 3 -3 -1.587225 -3.681461 -1.267616 Rho 0.3188034E+03 3,-3 38 3 -3 -1.528836 3.370457 1.547793 Rho 0.3190214E+03 3,-3 39 3 -3 1.538320 -3.419853 1.613411 Rho 0.3189373E+03 3,-3 40 3 -3 1.495236 3.427417 -1.462844 Rho 0.3189970E+03 3,-3 41 3 -3 -0.228905 -3.737589 3.793237 Rho 0.3193052E+03 3,-3 42 3 -3 3.893335 -0.149201 -3.679680 Rho 0.3192508E+03 3,-3 43 3 -3 -0.213880 3.742106 -3.731668 Rho 0.3194509E+03 3,-3 44 3 -3 0.242473 3.768487 3.762358 Rho 0.3194212E+03 3,-3 45 3 -3 3.769841 -3.760168 -0.165806 Rho 0.3192622E+03 3,-3 46 3 -3 3.763109 3.787307 0.222561 Rho 0.3192949E+03 3,-3 47 3 -3 -3.757280 3.711806 -0.220799 Rho 0.3192768E+03 3,-3 48 3 -3 -3.901077 -3.650471 0.280817 Rho 0.3194534E+03 3,-3 49 3 -3 -3.897032 0.377874 -3.582613 Rho 0.3192554E+03 3,-3 50 3 -3 -3.746756 -0.210189 3.788789 Rho 0.3193050E+03 3,-3 51 3 -3 3.741052 0.206032 3.787312 Rho 0.3194303E+03 3,-3 52 3 -3 -0.614131 -3.447473 -1.259812 Rho 0.4366923E+00 3,-3 53 3 +1 -2.887010 0.185198 0.242763 Rho 0.6212977E-02 |GRAD(Rho)| 0.1332841E-16 GRAD(Rho)x -0.1303876E-17 GRAD(Rho)y -0.1078232E-16 GRAD(Rho)z 0.7725796E-17 Laplacian 0.2600090E-01 (-1/4)Del**2(Rho)) -0.6500226E-02 Diamond 0.7352648E-03 Metallicity 0.5564903E+00 Ellipticity -0.2464119E+01 Gb(Abramov) 0.4936369E-02 Vb(Abramov) -0.3372513E-02 Hb(Abramov) 0.1563857E-02 Ex_ueg -0.8435640E-03 Ec_ueg -0.1994799E-03 Delta_ex -0.1295574E-02 Delta_ec 0.7233791E-03 Delta_et -0.4230131E-02 Pxc 0.4228817E+01 Qxc -0.1791003E+01 3,+1 54 3 +1 -2.178328 1.231510 1.209329 Rho 0.2786768E-01 |GRAD(Rho)| 0.6348114E-15 GRAD(Rho)x 0.1248967E-15 GRAD(Rho)y -0.4495708E-15 GRAD(Rho)z 0.4304329E-15 Laplacian 0.1103283E+00 (-1/4)Del**2(Rho)) -0.2758207E-01 Diamond 0.1724500E-01 Metallicity 0.1599905E+01 Ellipticity -0.5136503E+01 Gb(Abramov) 0.2574283E-01 Vb(Abramov) -0.2390359E-01 Hb(Abramov) 0.1839240E-02 Ex_ueg -0.6240022E-02 Ec_ueg -0.1234154E-02 Delta_ex -0.7110283E-02 Delta_ec 0.1953977E-02 Delta_et -0.1769583E-01 Pxc 0.5056115E+01 Qxc -0.3638877E+01 3,+1 55 3 +1 -1.674592 -0.560945 0.515513 Rho 0.9563358E-02 |GRAD(Rho)| 0.8877982E-17 GRAD(Rho)x 0.6580348E-17 GRAD(Rho)y -0.3775729E-17 GRAD(Rho)z -0.4611016E-17 Laplacian 0.3624227E-01 (-1/4)Del**2(Rho)) -0.9060567E-02 Diamond 0.1159787E-02 Metallicity 0.8192475E+00 Ellipticity -0.1579172E+01 Gb(Abramov) 0.7277519E-02 Vb(Abramov) -0.5494471E-02 Hb(Abramov) 0.1783048E-02 Ex_ueg -0.1499221E-02 Ec_ueg -0.3482869E-03 Delta_ex -0.1716174E-02 Delta_ec 0.5370552E-03 Delta_et -0.3750755E-02 Pxc 0.4304557E+01 Qxc -0.3195526E+01 3,+1 56 3 -1 -1.755789 -0.617540 -1.834067 Rho 0.5623380E-01 |GRAD(Rho)| 0.1116849E-12 GRAD(Rho)x -0.6779430E-13 GRAD(Rho)y 0.2629519E-13 GRAD(Rho)z -0.8477037E-13 Laplacian 0.2268190E+00 (-1/4)Del**2(Rho)) -0.5670475E-01 Diamond 0.1367878E+00 Metallicity 0.2507626E+01 Ellipticity 0.1579696E-01 Gb(Abramov) 0.6150222E-01 Vb(Abramov) -0.6629968E-01 Hb(Abramov) -0.4797466E-02 Ex_ueg -0.1591164E-01 Ec_ueg -0.2762246E-02 Delta_ex -0.1930281E-01 Delta_ec 0.6876823E-02 Delta_et -0.7480068E-01 Pxc 0.5760399E+01 Qxc -0.2806937E+01 3,-1 57 3 +1 1.614709 -0.592823 -0.558002 Rho 0.9278491E-02 |GRAD(Rho)| 0.1505813E-16 GRAD(Rho)x -0.1412201E-16 GRAD(Rho)y 0.5000866E-17 GRAD(Rho)z 0.1518973E-17 Laplacian 0.3720133E-01 (-1/4)Del**2(Rho)) -0.9300333E-02 Diamond 0.1079234E-02 Metallicity 0.7588984E+00 Ellipticity -0.1420765E+01 Gb(Abramov) 0.7376556E-02 Vb(Abramov) -0.5452780E-02 Hb(Abramov) 0.1923776E-02 Ex_ueg -0.1439975E-02 Ec_ueg -0.3354390E-03 Delta_ex -0.1722449E-02 Delta_ec 0.5053546E-03 Delta_et -0.3536372E-02 Pxc 0.4292807E+01 Qxc -0.3408396E+01 3,+1 58 3 +1 -1.043830 1.395940 2.179668 Rho 0.2480471E-01 |GRAD(Rho)| 0.1706773E-13 GRAD(Rho)x 0.1181893E-13 GRAD(Rho)y 0.6816827E-14 GRAD(Rho)z 0.1025432E-13 Laplacian 0.9603398E-01 (-1/4)Del**2(Rho)) -0.2400850E-01 Diamond 0.1124098E-01 Metallicity 0.1513835E+01 Ellipticity -0.2540965E+01 Gb(Abramov) 0.2206315E-01 Vb(Abramov) -0.2011780E-01 Hb(Abramov) 0.1945348E-02 Ex_ueg -0.5342740E-02 Ec_ueg -0.1078887E-02 Delta_ex -0.5830322E-02 Delta_ec 0.1397561E-02 Delta_et -0.1236798E-01 Pxc 0.4952085E+01 Qxc -0.4171784E+01 3,+1 59 3 +1 -2.879696 -0.314408 -0.292350 Rho 0.5777234E-02 |GRAD(Rho)| 0.1220935E-16 GRAD(Rho)x -0.2487458E-19 GRAD(Rho)y -0.9203692E-17 GRAD(Rho)z 0.8022448E-17 Laplacian 0.2421481E-01 (-1/4)Del**2(Rho)) -0.6053703E-02 Diamond 0.4906442E-03 Metallicity 0.5293367E+00 Ellipticity -0.1408874E+01 Gb(Abramov) 0.4569877E-02 Vb(Abramov) -0.3086050E-02 Hb(Abramov) 0.1483827E-02 Ex_ueg -0.7656172E-03 Ec_ueg -0.1805122E-03 Delta_ex -0.1088877E-02 Delta_ec 0.4956417E-03 Delta_et -0.2916818E-02 Pxc 0.4241360E+01 Qxc -0.2196904E+01 3,+1 60 3 +1 -0.023892 -2.248693 -1.034233 Rho 0.6382254E-02 |GRAD(Rho)| 0.1081908E-16 GRAD(Rho)x 0.6414159E-17 GRAD(Rho)y -0.8711682E-17 GRAD(Rho)z -0.1329603E-18 Laplacian 0.2477669E-01 (-1/4)Del**2(Rho)) -0.6194173E-02 Diamond 0.8509161E-03 Metallicity 0.6107450E+00 Ellipticity -0.2151231E+02 Gb(Abramov) 0.4759959E-02 Vb(Abramov) -0.3325744E-02 Hb(Abramov) 0.1434214E-02 Ex_ueg -0.8743469E-03 Ec_ueg -0.2068733E-03 Delta_ex -0.1324930E-02 Delta_ec 0.8382913E-03 Delta_et -0.4875301E-02 Pxc 0.4226484E+01 Qxc -0.1580513E+01 3,+1 61 3 -1 -3.003156 -0.948810 -2.075932 Rho 0.1264969E+00 |GRAD(Rho)| 0.3855513E-13 GRAD(Rho)x -0.1775576E-13 GRAD(Rho)y 0.2240325E-13 GRAD(Rho)z -0.2587133E-13 Laplacian 0.4828023E+00 (-1/4)Del**2(Rho)) -0.1207006E+00 Diamond 0.8122264E+00 Metallicity 0.4549639E+01 Ellipticity 0.3280153E-01 Gb(Abramov) 0.1719911E+00 Vb(Abramov) -0.2232815E+00 Hb(Abramov) -0.5129049E-01 Ex_ueg -0.4689842E-01 Ec_ueg -0.6956422E-02 Delta_ex -0.4993218E-01 Delta_ec 0.1310094E-01 Delta_et -0.1705048E+00 Pxc 0.6741744E+01 Qxc -0.3811344E+01 3,-1 62 3 -1 -1.816692 -1.744886 -0.571317 Rho 0.4669477E-01 |GRAD(Rho)| 0.3864728E-13 GRAD(Rho)x 0.3124997E-13 GRAD(Rho)y 0.1792636E-13 GRAD(Rho)z 0.1398917E-13 Laplacian 0.1901143E+00 (-1/4)Del**2(Rho)) -0.4752858E-01 Diamond 0.8959868E-01 Metallicity 0.2194718E+01 Ellipticity 0.2125664E-01 Gb(Abramov) 0.4907103E-01 Vb(Abramov) -0.5061348E-01 Hb(Abramov) -0.1542447E-02 Ex_ueg -0.1241870E-01 Ec_ueg -0.2233004E-02 Delta_ex -0.1546637E-01 Delta_ec 0.5817651E-02 Delta_et -0.6028873E-01 Pxc 0.5561431E+01 Qxc -0.2658524E+01 3,-1 63 3 +1 -2.007306 1.991980 2.039741 Rho 0.1247992E-01 |GRAD(Rho)| 0.8821065E-14 GRAD(Rho)x -0.8115256E-14 GRAD(Rho)y -0.2709356E-14 GRAD(Rho)z -0.2147835E-14 Laplacian 0.5833833E-01 (-1/4)Del**2(Rho)) -0.1458458E-01 Diamond 0.1924283E-02 Metallicity 0.7931324E+00 Ellipticity -0.1114231E+01 Gb(Abramov) 0.1165097E-01 Vb(Abramov) -0.8717363E-02 Hb(Abramov) 0.2933610E-02 Ex_ueg -0.2137967E-02 Ec_ueg -0.4817690E-03 Delta_ex -0.2748653E-02 Delta_ec 0.4915708E-03 Delta_et -0.3921207E-02 Pxc 0.4437742E+01 Qxc -0.5591571E+01 3,+1 64 3 +1 2.902838 -0.088114 0.135031 Rho 0.4721283E-02 |GRAD(Rho)| 0.4642700E-17 GRAD(Rho)x 0.1226888E-17 GRAD(Rho)y 0.1617271E-17 GRAD(Rho)z 0.4175386E-17 Laplacian 0.1912660E-01 (-1/4)Del**2(Rho)) -0.4781650E-02 Diamond 0.4350703E-03 Metallicity 0.4787133E+00 Ellipticity -0.4409180E+01 Gb(Abramov) 0.3569273E-02 Vb(Abramov) -0.2356896E-02 Hb(Abramov) 0.1212377E-02 Ex_ueg -0.5849676E-03 Ec_ueg -0.1349383E-03 Delta_ex -0.9627176E-03 Delta_ec 0.6418853E-03 Delta_et -0.3410303E-02 Pxc 0.4335076E+01 Qxc -0.1499828E+01 3,+1 65 3 +3 -1.121666 -1.128774 1.141764 Rho 0.5351756E-02 |GRAD(Rho)| 0.6470674E-15 GRAD(Rho)x -0.5799859E-15 GRAD(Rho)y -0.1319374E-15 GRAD(Rho)z -0.2547649E-15 Laplacian 0.2087297E-01 (-1/4)Del**2(Rho)) -0.5218242E-02 Diamond 0.1587926E-03 Metallicity 0.5405752E+00 Ellipticity -0.2592266E+00 Gb(Abramov) 0.3948970E-02 Vb(Abramov) -0.2679698E-02 Hb(Abramov) 0.1269272E-02 Ex_ueg -0.6913746E-03 Ec_ueg -0.1620816E-03 Delta_ex -0.7338942E-03 Delta_ec 0.9011747E-04 Delta_et -0.7269487E-03 Pxc 0.4265597E+01 Qxc -0.8143751E+01 3,+3 66 3 +1 -0.547121 -0.575652 1.653708 Rho 0.8430647E-02 |GRAD(Rho)| 0.1341251E-16 GRAD(Rho)x -0.3581340E-17 GRAD(Rho)y 0.1068970E-16 GRAD(Rho)z -0.7266345E-17 Laplacian 0.3316260E-01 (-1/4)Del**2(Rho)) -0.8290649E-02 Diamond 0.8458457E-03 Metallicity 0.7256594E+00 Ellipticity -0.1404924E+01 Gb(Abramov) 0.6529797E-02 Vb(Abramov) -0.4768945E-02 Hb(Abramov) 0.1760852E-02 Ex_ueg -0.1267262E-02 Ec_ueg -0.2974092E-03 Delta_ex -0.1499113E-02 Delta_ec 0.4518657E-03 Delta_et -0.3084803E-02 Pxc 0.4261003E+01 Qxc -0.3317609E+01 3,+1 67 3 -1 -2.750122 -0.531647 1.834242 Rho 0.1245270E+00 |GRAD(Rho)| 0.5569352E-15 GRAD(Rho)x -0.4812943E-15 GRAD(Rho)y -0.1251576E-15 GRAD(Rho)z -0.2507353E-15 Laplacian 0.5183811E+00 (-1/4)Del**2(Rho)) -0.1295953E+00 Diamond 0.8431286E+00 Metallicity 0.4127969E+01 Ellipticity 0.1170433E-01 Gb(Abramov) 0.1755577E+00 Vb(Abramov) -0.2215202E+00 Hb(Abramov) -0.4596246E-01 Ex_ueg -0.4592717E-01 Ec_ueg -0.6833421E-02 Delta_ex -0.5324988E-01 Delta_ec 0.1382962E-01 Delta_et -0.1790107E+00 Pxc 0.6720963E+01 Qxc -0.3850422E+01 3,-1 68 3 -1 -0.502058 1.727861 1.718575 Rho 0.3946539E-01 |GRAD(Rho)| 0.1779029E-16 GRAD(Rho)x 0.6534436E-17 GRAD(Rho)y -0.1512314E-16 GRAD(Rho)z 0.6714642E-17 Laplacian 0.1636665E+00 (-1/4)Del**2(Rho)) -0.4091663E-01 Diamond 0.6150089E-01 Metallicity 0.1926108E+01 Ellipticity 0.4265272E-01 Gb(Abramov) 0.4041273E-01 Vb(Abramov) -0.3990883E-01 Hb(Abramov) 0.5039019E-03 Ex_ueg -0.9923699E-02 Ec_ueg -0.1841422E-02 Delta_ex -0.1277927E-01 Delta_ec 0.5027645E-02 Delta_et -0.4980016E-01 Pxc 0.5389151E+01 Qxc -0.2541800E+01 3,-1 69 3 -1 -2.896684 0.041655 0.090459 Rho 0.6256047E-02 |GRAD(Rho)| 0.2854388E-16 GRAD(Rho)x 0.4102887E-17 GRAD(Rho)y 0.1375364E-16 GRAD(Rho)z 0.2467299E-16 Laplacian 0.2513018E-01 (-1/4)Del**2(Rho)) -0.6282545E-02 Diamond 0.9085307E-03 Metallicity 0.5824396E+00 Ellipticity 0.1500225E+01 Gb(Abramov) 0.4798230E-02 Vb(Abramov) -0.3313916E-02 Hb(Abramov) 0.1484314E-02 Ex_ueg -0.8513700E-03 Ec_ueg -0.2013597E-03 Delta_ex -0.1385696E-02 Delta_ec 0.9343120E-03 Delta_et -0.5370517E-02 Pxc 0.4228105E+01 Qxc -0.1483119E+01 3,-1 70 3 -1 -3.184808 -0.043497 3.243553 Rho 0.2410344E+00 |GRAD(Rho)| 0.6172944E-15 GRAD(Rho)x -0.2736526E-15 GRAD(Rho)y -0.1344411E-16 GRAD(Rho)z 0.5531599E-15 Laplacian 0.8868518E+00 (-1/4)Del**2(Rho)) -0.2217129E+00 Diamond 0.3144041E+01 Metallicity 0.7253716E+01 Ellipticity 0.9320485E-03 Gb(Abramov) 0.4158491E+00 Vb(Abramov) -0.6099852E+00 Hb(Abramov) -0.1941361E+00 Ex_ueg -0.1107874E+00 Ec_ueg -0.1451065E-01 Delta_ex -0.1072237E+00 Delta_ec 0.1948336E-01 Delta_et -0.2695489E+00 Pxc 0.7634905E+01 Qxc -0.5503349E+01 3,-1 71 3 -1 -2.991765 0.863909 2.032846 Rho 0.1479711E+00 |GRAD(Rho)| 0.5396301E-13 GRAD(Rho)x 0.7994405E-14 GRAD(Rho)y -0.3701435E-13 GRAD(Rho)z 0.3844520E-13 Laplacian 0.5838644E+00 (-1/4)Del**2(Rho)) -0.1459661E+00 Diamond 0.1163534E+01 Metallicity 0.4885730E+01 Ellipticity 0.5003828E-01 Gb(Abramov) 0.2161692E+00 Vb(Abramov) -0.2863724E+00 Hb(Abramov) -0.7020313E-01 Ex_ueg -0.5780353E-01 Ec_ueg -0.8313764E-02 Delta_ex -0.6248740E-01 Delta_ec 0.1485555E-01 Delta_et -0.1973600E+00 Pxc 0.6952751E+01 Qxc -0.4206333E+01 3,-1 72 3 -1 -1.712749 0.534352 1.745272 Rho 0.4722839E-01 |GRAD(Rho)| 0.1958324E-15 GRAD(Rho)x 0.9120300E-16 GRAD(Rho)y 0.5616040E-16 GRAD(Rho)z -0.1639462E-15 Laplacian 0.1891484E+00 (-1/4)Del**2(Rho)) -0.4728711E-01 Diamond 0.8784157E-01 Metallicity 0.2248100E+01 Ellipticity 0.1391218E-01 Gb(Abramov) 0.4924243E-01 Vb(Abramov) -0.5119776E-01 Hb(Abramov) -0.1955324E-02 Ex_ueg -0.1260828E-01 Ec_ueg -0.2262252E-02 Delta_ex -0.1530638E-01 Delta_ec 0.5564346E-02 Delta_et -0.5778634E-01 Pxc 0.5573332E+01 Qxc -0.2750795E+01 3,-1 73 3 -1 -3.264367 0.093642 -3.168804 Rho 0.2325442E+00 |GRAD(Rho)| 0.2741271E-10 GRAD(Rho)x -0.2152904E-10 GRAD(Rho)y 0.9688147E-11 GRAD(Rho)z -0.1393188E-10 Laplacian 0.8659839E+00 (-1/4)Del**2(Rho)) -0.2164960E+00 Diamond 0.2940930E+01 Metallicity 0.6997549E+01 Ellipticity 0.2308925E-01 Gb(Abramov) 0.3968208E+00 Vb(Abramov) -0.5771457E+00 Hb(Abramov) -0.1803249E+00 Ex_ueg -0.1056150E+00 Ec_ueg -0.1392524E-01 Delta_ex -0.1037286E+00 Delta_ec 0.1923281E-01 Delta_et -0.2657643E+00 Pxc 0.7584433E+01 Qxc -0.5393312E+01 3,-1 74 3 -1 -1.793983 0.494574 -2.838830 Rho 0.1291979E+00 |GRAD(Rho)| 0.7000101E-12 GRAD(Rho)x 0.4981166E-12 GRAD(Rho)y 0.4832078E-12 GRAD(Rho)z -0.9167449E-13 Laplacian 0.5344552E+00 (-1/4)Del**2(Rho)) -0.1336138E+00 Diamond 0.9144738E+00 Metallicity 0.4257233E+01 Ellipticity 0.1454524E-01 Gb(Abramov) 0.1838800E+00 Vb(Abramov) -0.2341463E+00 Hb(Abramov) -0.5026624E-01 Ex_ueg -0.4823832E-01 Ec_ueg -0.7125496E-02 Delta_ex -0.5545975E-01 Delta_ec 0.1426210E-01 Delta_et -0.1859819E+00 Pxc 0.6769820E+01 Qxc -0.3888612E+01 3,-1 75 3 +1 -2.242058 -1.392781 -1.169460 Rho 0.3011159E-01 |GRAD(Rho)| 0.2370032E-16 GRAD(Rho)x -0.1780325E-16 GRAD(Rho)y -0.4648672E-18 GRAD(Rho)z -0.1563756E-16 Laplacian 0.1257228E+00 (-1/4)Del**2(Rho)) -0.3143070E-01 Diamond 0.2244080E-01 Metallicity 0.1597430E+01 Ellipticity -0.5540727E+01 Gb(Abramov) 0.2932186E-01 Vb(Abramov) -0.2721301E-01 Hb(Abramov) 0.2108842E-02 Ex_ueg -0.6918786E-02 Ec_ueg -0.1349364E-02 Delta_ex -0.8321250E-02 Delta_ec 0.2314133E-02 Delta_et -0.2134712E-01 Pxc 0.5127441E+01 Qxc -0.3595839E+01 3,+1 76 3 -1 -2.746029 0.478296 -1.834007 Rho 0.8107136E-01 |GRAD(Rho)| 0.1603003E-12 GRAD(Rho)x 0.7494735E-13 GRAD(Rho)y 0.2263922E-13 GRAD(Rho)z 0.1398804E-12 Laplacian 0.3438746E+00 (-1/4)Del**2(Rho)) -0.8596865E-01 Diamond 0.3320399E+00 Metallicity 0.3043165E+01 Ellipticity 0.3370240E-02 Gb(Abramov) 0.1009152E+00 Vb(Abramov) -0.1158618E+00 Hb(Abramov) -0.1494658E-01 Ex_ueg -0.2591443E-01 Ec_ueg -0.4193493E-02 Delta_ex -0.3193939E-01 Delta_ec 0.1003581E-01 Delta_et -0.1192779E+00 Pxc 0.6179677E+01 Qxc -0.3182543E+01 3,-1 77 3 +1 -0.526000 1.622398 -0.575400 Rho 0.8683575E-02 |GRAD(Rho)| 0.2886527E-14 GRAD(Rho)x -0.2000980E-14 GRAD(Rho)y 0.1098356E-14 GRAD(Rho)z 0.1766842E-14 Laplacian 0.3325964E-01 (-1/4)Del**2(Rho)) -0.8314910E-02 Diamond 0.8881504E-03 Metallicity 0.7600810E+00 Ellipticity -0.1450968E+01 Gb(Abramov) 0.6596608E-02 Vb(Abramov) -0.4878305E-02 Hb(Abramov) 0.1718302E-02 Ex_ueg -0.1318206E-02 Ec_ueg -0.3087211E-03 Delta_ex -0.1517049E-02 Delta_ec 0.4571130E-03 Delta_et -0.3140957E-02 Pxc 0.4269892E+01 Qxc -0.3318761E+01 3,+1 78 3 -1 -2.763358 1.752460 -0.539904 Rho 0.1852865E+00 |GRAD(Rho)| 0.2310830E-14 GRAD(Rho)x 0.2605880E-15 GRAD(Rho)y 0.1732935E-14 GRAD(Rho)z 0.1506309E-14 Laplacian 0.7617916E+00 (-1/4)Del**2(Rho)) -0.1904479E+00 Diamond 0.1962033E+01 Metallicity 0.5447325E+01 Ellipticity 0.1226026E-01 Gb(Abramov) 0.2998705E+00 Vb(Abramov) -0.4092932E+00 Hb(Abramov) -0.1094226E+00 Ex_ueg -0.7801475E-01 Ec_ueg -0.1073947E-01 Delta_ex -0.8602459E-01 Delta_ec 0.1793713E-01 Delta_et -0.2437475E+00 Pxc 0.7264305E+01 Qxc -0.4795895E+01 3,-1 79 3 +3 0.737462 -1.518677 -1.585300 Rho 0.3004794E-02 |GRAD(Rho)| 0.2784293E-17 GRAD(Rho)x 0.6247728E-18 GRAD(Rho)y -0.2661536E-17 GRAD(Rho)z -0.5274195E-18 Laplacian 0.1174009E-01 (-1/4)Del**2(Rho)) -0.2935023E-02 Diamond 0.6417771E-04 Metallicity 0.3672536E+00 Ellipticity -0.9066628E+00 Gb(Abramov) 0.2136332E-02 Vb(Abramov) -0.1337640E-02 Hb(Abramov) 0.7986913E-03 Ex_ueg -0.3202368E-03 Ec_ueg -0.6208805E-04 Delta_ex -0.3955539E-03 Delta_ec 0.1276582E-03 Delta_et -0.6949593E-03 Pxc 0.5157785E+01 Qxc -0.3098539E+01 3,+3 80 3 +1 -1.760118 -1.740584 1.779460 Rho 0.1235817E-01 |GRAD(Rho)| 0.6390487E-17 GRAD(Rho)x -0.3448964E-17 GRAD(Rho)y 0.1831981E-17 GRAD(Rho)z -0.5058341E-17 Laplacian 0.6182246E-01 (-1/4)Del**2(Rho)) -0.1545562E-01 Diamond 0.2549029E-02 Metallicity 0.7363037E+00 Ellipticity -0.1254912E+01 Gb(Abramov) 0.1220041E-01 Vb(Abramov) -0.8945214E-02 Hb(Abramov) 0.3255201E-02 Ex_ueg -0.2110201E-02 Ec_ueg -0.4761284E-03 Delta_ex -0.3054152E-02 Delta_ec 0.7874778E-03 Delta_et -0.5958665E-02 Pxc 0.4432000E+01 Qxc -0.3878397E+01 3,+1 81 3 -1 -3.051901 -2.021015 -0.875304 Rho 0.1415539E+00 |GRAD(Rho)| 0.1422321E-15 GRAD(Rho)x -0.7802868E-16 GRAD(Rho)y 0.6714600E-16 GRAD(Rho)z -0.9814740E-16 Laplacian 0.5483666E+00 (-1/4)Del**2(Rho)) -0.1370916E+00 Diamond 0.1028868E+01 Metallicity 0.4831463E+01 Ellipticity 0.8052658E-01 Gb(Abramov) 0.2017866E+00 Vb(Abramov) -0.2664816E+00 Hb(Abramov) -0.6469499E-01 Ex_ueg -0.5448550E-01 Ec_ueg -0.7905055E-02 Delta_ex -0.5797705E-01 Delta_ec 0.1396602E-01 Delta_et -0.1840578E+00 Pxc 0.6892488E+01 Qxc -0.4151293E+01 3,-1 82 3 -1 -2.798925 -1.793731 0.568034 Rho 0.1405242E+00 |GRAD(Rho)| 0.2350043E-15 GRAD(Rho)x -0.1020844E-16 GRAD(Rho)y -0.1465435E-15 GRAD(Rho)z -0.1834335E-15 Laplacian 0.5907335E+00 (-1/4)Del**2(Rho)) -0.1476834E+00 Diamond 0.1085832E+01 Metallicity 0.4430708E+01 Ellipticity 0.2386171E-01 Gb(Abramov) 0.2075126E+00 Vb(Abramov) -0.2673418E+00 Hb(Abramov) -0.5982921E-01 Ex_ueg -0.5395765E-01 Ec_ueg -0.7839710E-02 Delta_ex -0.6220545E-01 Delta_ec 0.1482275E-01 Delta_et -0.1946111E+00 Pxc 0.6882608E+01 Qxc -0.4196621E+01 3,-1 83 3 +1 1.657676 0.470925 0.544515 Rho 0.7198196E-02 |GRAD(Rho)| 0.1384834E-12 GRAD(Rho)x -0.8907164E-13 GRAD(Rho)y -0.1710620E-13 GRAD(Rho)z -0.1046483E-12 Laplacian 0.2802246E-01 (-1/4)Del**2(Rho)) -0.7005615E-02 Diamond 0.6158876E-03 Metallicity 0.6599023E+00 Ellipticity -0.1426128E+01 Gb(Abramov) 0.5440914E-02 Vb(Abramov) -0.3876212E-02 Hb(Abramov) 0.1564701E-02 Ex_ueg -0.1026479E-02 Ec_ueg -0.2427030E-03 Delta_ex -0.1239824E-02 Delta_ec 0.4221389E-03 Delta_et -0.2731847E-02 Pxc 0.4229361E+01 Qxc -0.2937006E+01 3,+1 84 3 -1 -1.722689 1.679544 0.514790 Rho 0.4904289E-01 |GRAD(Rho)| 0.1649280E-12 GRAD(Rho)x -0.6219990E-13 GRAD(Rho)y 0.1046126E-12 GRAD(Rho)z -0.1113041E-12 Laplacian 0.1962325E+00 (-1/4)Del**2(Rho)) -0.4905813E-01 Diamond 0.9589951E-01 Metallicity 0.2307468E+01 Ellipticity 0.2265173E-01 Gb(Abramov) 0.5157209E-01 Vb(Abramov) -0.5408606E-01 Hb(Abramov) -0.2513967E-02 Ex_ueg -0.1325826E-01 Ec_ueg -0.2362037E-02 Delta_ex -0.1602996E-01 Delta_ec 0.5769117E-02 Delta_et -0.6050640E-01 Pxc 0.5613061E+01 Qxc -0.2778580E+01 3,-1 85 3 -1 -3.201607 3.147658 -0.081488 Rho 0.2369981E+00 |GRAD(Rho)| 0.1053653E-13 GRAD(Rho)x 0.9424969E-14 GRAD(Rho)y -0.3859977E-14 GRAD(Rho)z -0.2699812E-14 Laplacian 0.8745900E+00 (-1/4)Del**2(Rho)) -0.2186475E+00 Diamond 0.3034651E+01 Metallicity 0.7151275E+01 Ellipticity 0.7821338E-02 Gb(Abramov) 0.4063664E+00 Vb(Abramov) -0.5940853E+00 Hb(Abramov) -0.1877189E+00 Ex_ueg -0.1083207E+00 Ec_ueg -0.1423185E-01 Delta_ex -0.1052566E+00 Delta_ec 0.1927629E-01 Delta_et -0.2663854E+00 Pxc 0.7611150E+01 Qxc -0.5460419E+01 3,-1 86 3 -1 -2.158131 -0.868525 -3.294876 Rho 0.2322335E+00 |GRAD(Rho)| 0.4696317E-15 GRAD(Rho)x -0.1331400E-15 GRAD(Rho)y 0.3126297E-15 GRAD(Rho)z 0.3241764E-15 Laplacian 0.8985729E+00 (-1/4)Del**2(Rho)) -0.2246432E+00 Diamond 0.3011400E+01 Metallicity 0.6728751E+01 Ellipticity 0.1649244E-01 Gb(Abramov) 0.4016902E+00 Vb(Abramov) -0.5787372E+00 Hb(Abramov) -0.1770470E+00 Ex_ueg -0.1054269E+00 Ec_ueg -0.1390389E-01 Delta_ex -0.1073983E+00 Delta_ec 0.1961390E-01 Delta_et -0.2695255E+00 Pxc 0.7582549E+01 Qxc -0.5475624E+01 3,-1 87 3 +3 -2.307610 -0.050143 -0.000787 Rho 0.5317842E-02 |GRAD(Rho)| 0.1211206E-13 GRAD(Rho)x 0.9236172E-14 GRAD(Rho)y 0.5679508E-14 GRAD(Rho)z 0.5397995E-14 Laplacian 0.2178833E-01 (-1/4)Del**2(Rho)) -0.5447081E-02 Diamond 0.2314902E-03 Metallicity 0.5124069E+00 Ellipticity -0.4805025E+00 Gb(Abramov) 0.4096575E-02 Vb(Abramov) -0.2746068E-02 Hb(Abramov) 0.1350507E-02 Ex_ueg -0.6855391E-03 Ec_ueg -0.1606164E-03 Delta_ex -0.8221738E-03 Delta_ec 0.1966488E-03 Delta_et -0.1284350E-02 Pxc 0.4268177E+01 Qxc -0.4180924E+01 3,+3 88 3 +1 -0.188312 0.171522 2.947122 Rho 0.5698429E-02 |GRAD(Rho)| 0.2741352E-16 GRAD(Rho)x -0.2661920E-16 GRAD(Rho)y 0.1892767E-17 GRAD(Rho)z 0.6271883E-17 Laplacian 0.2359552E-01 (-1/4)Del**2(Rho)) -0.5898879E-02 Diamond 0.6445929E-03 Metallicity 0.5309360E+00 Ellipticity -0.3251534E+01 Gb(Abramov) 0.4454574E-02 Vb(Abramov) -0.3010269E-02 Hb(Abramov) 0.1444305E-02 Ex_ueg -0.7517242E-03 Ec_ueg -0.1770918E-03 Delta_ex -0.1194490E-02 Delta_ec 0.7270694E-03 Delta_et -0.4112847E-02 Pxc 0.4244829E+01 Qxc -0.1642884E+01 3,+1 89 3 +1 -1.664250 0.489916 -0.548674 Rho 0.1031517E-01 |GRAD(Rho)| 0.1970276E-16 GRAD(Rho)x 0.1848623E-17 GRAD(Rho)y 0.8303378E-17 GRAD(Rho)z 0.1777176E-16 Laplacian 0.3906954E-01 (-1/4)Del**2(Rho)) -0.9767386E-02 Diamond 0.1364917E-02 Metallicity 0.8621218E+00 Ellipticity -0.1598970E+01 Gb(Abramov) 0.7915036E-02 Vb(Abramov) -0.6062687E-02 Hb(Abramov) 0.1852349E-02 Ex_ueg -0.1658390E-02 Ec_ueg -0.3823608E-03 Delta_ex -0.1878430E-02 Delta_ec 0.5654654E-03 Delta_et -0.4036818E-02 Pxc 0.4337240E+01 Qxc -0.3321918E+01 3,+1 90 3 +3 0.064252 2.249851 -0.015821 Rho 0.4469049E-02 |GRAD(Rho)| 0.6174737E-12 GRAD(Rho)x -0.3153718E-12 GRAD(Rho)y 0.4110713E-12 GRAD(Rho)z 0.3359088E-12 Laplacian 0.1824923E-01 (-1/4)Del**2(Rho)) -0.4562307E-02 Diamond 0.1405636E-03 Metallicity 0.4578542E+00 Ellipticity -0.3338239E+00 Gb(Abramov) 0.3389683E-02 Vb(Abramov) -0.2217059E-02 Hb(Abramov) 0.1172624E-02 Ex_ueg -0.5436740E-03 Ec_ueg -0.1241359E-03 Delta_ex -0.6449474E-03 Delta_ec 0.1406016E-03 Delta_et -0.9156282E-03 Pxc 0.4379669E+01 Qxc -0.4587055E+01 3,+3 91 3 -1 -1.796508 -0.539962 2.817451 Rho 0.1441497E+00 |GRAD(Rho)| 0.2951446E-15 GRAD(Rho)x -0.2051039E-15 GRAD(Rho)y 0.1697047E-15 GRAD(Rho)z -0.1274480E-15 Laplacian 0.6071905E+00 (-1/4)Del**2(Rho)) -0.1517976E+00 Diamond 0.1172102E+01 Metallicity 0.4497570E+01 Ellipticity 0.1619727E-01 Gb(Abramov) 0.2149851E+00 Vb(Abramov) -0.2781727E+00 Hb(Abramov) -0.6318753E-01 Ex_ueg -0.5582176E-01 Ec_ueg -0.8070070E-02 Delta_ex -0.6456361E-01 Delta_ec 0.1554003E-01 Delta_et -0.2056600E+00 Pxc 0.6917134E+01 Qxc -0.4154665E+01 3,-1 92 3 -1 -2.056859 -3.120958 -0.706678 Rho 0.1375585E+00 |GRAD(Rho)| 0.4582070E-14 GRAD(Rho)x 0.2921850E-14 GRAD(Rho)y -0.2614377E-14 GRAD(Rho)z -0.2371326E-14 Laplacian 0.5071689E+00 (-1/4)Del**2(Rho)) -0.1267922E+00 Diamond 0.9398535E+00 Metallicity 0.4980500E+01 Ellipticity 0.1279756E+00 Gb(Abramov) 0.1897763E+00 Vb(Abramov) -0.2527603E+00 Hb(Abramov) -0.6298404E-01 Ex_ueg -0.5244470E-01 Ec_ueg -0.7651900E-02 Delta_ex -0.5347679E-01 Delta_ec 0.1341586E-01 Delta_et -0.1768933E+00 Pxc 0.6853815E+01 Qxc -0.3986087E+01 3,-1 93 3 +3 -1.100941 1.118928 -1.155115 Rho 0.5524439E-02 |GRAD(Rho)| 0.5590373E-17 GRAD(Rho)x -0.5222588E-17 GRAD(Rho)y 0.1953539E-17 GRAD(Rho)z 0.4006598E-18 Laplacian 0.2129591E-01 (-1/4)Del**2(Rho)) -0.5323976E-02 Diamond 0.1633677E-03 Metallicity 0.5586383E+00 Ellipticity -0.2401683E+00 Gb(Abramov) 0.4045014E-02 Vb(Abramov) -0.2766051E-02 Hb(Abramov) 0.1278963E-02 Ex_ueg -0.7212779E-03 Ec_ueg -0.1695509E-03 Delta_ex -0.7506780E-03 Delta_ec 0.8343743E-04 Delta_et -0.7013708E-03 Pxc 0.4254049E+01 Qxc -0.8996898E+01 3,+3 94 3 -1 -1.984803 0.878125 3.044710 Rho 0.1644906E+00 |GRAD(Rho)| 0.2530697E-13 GRAD(Rho)x -0.1560446E-13 GRAD(Rho)y -0.1740318E-13 GRAD(Rho)z -0.9699124E-14 Laplacian 0.6433222E+00 (-1/4)Del**2(Rho)) -0.1608305E+00 Diamond 0.1455033E+01 Metallicity 0.5289561E+01 Ellipticity 0.5821022E-01 Gb(Abramov) 0.2490075E+00 Vb(Abramov) -0.3371845E+00 Hb(Abramov) -0.8817698E-01 Ex_ueg -0.6656405E-01 Ec_ueg -0.9377482E-02 Delta_ex -0.7066861E-01 Delta_ec 0.1592658E-01 Delta_et -0.2145345E+00 Pxc 0.7098286E+01 Qxc -0.4437148E+01 3,-1 95 3 +1 -1.727417 1.724447 -1.733000 Rho 0.1166446E-01 |GRAD(Rho)| 0.1476512E-16 GRAD(Rho)x 0.3132629E-17 GRAD(Rho)y 0.1277338E-16 GRAD(Rho)z 0.6710897E-17 Laplacian 0.5721275E-01 (-1/4)Del**2(Rho)) -0.1430319E-01 Diamond 0.2210957E-02 Metallicity 0.7225950E+00 Ellipticity -0.1275947E+01 Gb(Abramov) 0.1125803E-01 Vb(Abramov) -0.8212866E-02 Hb(Abramov) 0.3045160E-02 Ex_ueg -0.1953761E-02 Ec_ueg -0.4441017E-03 Delta_ex -0.2793083E-02 Delta_ec 0.7457633E-03 Delta_et -0.5550825E-02 Pxc 0.4399355E+01 Qxc -0.3745267E+01 3,+1 96 3 +3 -1.911408 1.902411 1.949099 Rho 0.1242748E-01 |GRAD(Rho)| 0.3384058E-14 GRAD(Rho)x 0.1827704E-14 GRAD(Rho)y -0.2028762E-14 GRAD(Rho)z -0.1998869E-14 Laplacian 0.5732401E-01 (-1/4)Del**2(Rho)) -0.1433100E-01 Diamond 0.1470133E-02 Metallicity 0.8015218E+00 Ellipticity -0.8309125E+00 Gb(Abramov) 0.1146844E-01 Vb(Abramov) -0.8605871E-02 Hb(Abramov) 0.2862566E-02 Ex_ueg -0.2125997E-02 Ec_ueg -0.4793390E-03 Delta_ex -0.2584694E-02 Delta_ec 0.2812751E-03 Delta_et -0.2476073E-02 Pxc 0.4435269E+01 Qxc -0.9189204E+01 3,+3 97 3 +1 0.621720 -1.621371 -1.697556 Rho 0.3014751E-02 |GRAD(Rho)| 0.1239116E-13 GRAD(Rho)x 0.1034222E-13 GRAD(Rho)y 0.6804559E-14 GRAD(Rho)z 0.5266281E-15 Laplacian 0.1167125E-01 (-1/4)Del**2(Rho)) -0.2917813E-02 Diamond 0.7421755E-04 Metallicity 0.3714623E+00 Ellipticity -0.1079830E+01 Gb(Abramov) 0.2125851E-02 Vb(Abramov) -0.1333890E-02 Hb(Abramov) 0.7919613E-03 Ex_ueg -0.3216525E-03 Ec_ueg -0.6250608E-04 Delta_ex -0.4120132E-03 Delta_ec 0.1598823E-03 Delta_et -0.8314953E-03 Pxc 0.5145940E+01 Qxc -0.2576978E+01 3,+1 98 3 -1 -1.789897 2.750044 -0.558085 Rho 0.1442375E+00 |GRAD(Rho)| 0.2648714E-15 GRAD(Rho)x -0.2374267E-15 GRAD(Rho)y -0.2625802E-16 GRAD(Rho)z -0.1144375E-15 Laplacian 0.5958697E+00 (-1/4)Del**2(Rho)) -0.1489674E+00 Diamond 0.1154847E+01 Metallicity 0.4587668E+01 Ellipticity 0.1545291E-01 Gb(Abramov) 0.2132138E+00 Vb(Abramov) -0.2774602E+00 Hb(Abramov) -0.6424638E-01 Ex_ueg -0.5586706E-01 Ec_ueg -0.8075655E-02 Delta_ex -0.6340872E-01 Delta_ec 0.1531843E-01 Delta_et -0.2028988E+00 Pxc 0.6917960E+01 Qxc -0.4139375E+01 3,-1 99 3 -1 -1.996669 2.937342 0.857987 Rho 0.1263470E+00 |GRAD(Rho)| 0.3112422E-15 GRAD(Rho)x 0.1972503E-15 GRAD(Rho)y 0.2405099E-15 GRAD(Rho)z -0.1090978E-16 Laplacian 0.5018241E+00 (-1/4)Del**2(Rho)) -0.1254560E+00 Diamond 0.8268494E+00 Metallicity 0.4368543E+01 Ellipticity 0.2807684E-01 Gb(Abramov) 0.1749807E+00 Vb(Abramov) -0.2245054E+00 Hb(Abramov) -0.4952467E-01 Ex_ueg -0.4682434E-01 Ec_ueg -0.6947054E-02 Delta_ex -0.5168220E-01 Delta_ec 0.1325923E-01 Delta_et -0.1719012E+00 Pxc 0.6740172E+01 Qxc -0.3897827E+01 3,-1 100 3 -1 -2.999556 1.950439 0.864572 Rho 0.1281247E+00 |GRAD(Rho)| 0.2256472E-13 GRAD(Rho)x 0.8988558E-14 GRAD(Rho)y 0.1206930E-13 GRAD(Rho)z -0.1681381E-13 Laplacian 0.4998531E+00 (-1/4)Del**2(Rho)) -0.1249633E+00 Diamond 0.8439481E+00 Metallicity 0.4489097E+01 Ellipticity 0.2627643E-01 Gb(Abramov) 0.1768042E+00 Vb(Abramov) -0.2286452E+00 Hb(Abramov) -0.5184095E-01 Ex_ueg -0.4770482E-01 Ec_ueg -0.7058261E-02 Delta_ex -0.5173110E-01 Delta_ec 0.1330385E-01 Delta_et -0.1731348E+00 Pxc 0.6758722E+01 Qxc -0.3888432E+01 3,-1 101 3 +1 -0.570891 0.507287 -1.689572 Rho 0.9316794E-02 |GRAD(Rho)| 0.9128713E-12 GRAD(Rho)x -0.4944487E-12 GRAD(Rho)y -0.7622900E-12 GRAD(Rho)z 0.8813960E-13 Laplacian 0.3590605E-01 (-1/4)Del**2(Rho)) -0.8976513E-02 Diamond 0.1104595E-02 Metallicity 0.7916922E+00 Ellipticity -0.1534848E+01 Gb(Abramov) 0.7168781E-02 Vb(Abramov) -0.5361049E-02 Hb(Abramov) 0.1807732E-02 Ex_ueg -0.1447906E-02 Ec_ueg -0.3371645E-03 Delta_ex -0.1687342E-02 Delta_ec 0.5290172E-03 Delta_et -0.3672004E-02 Pxc 0.4294362E+01 Qxc -0.3189579E+01 3,+1 102 3 +3 -0.273553 -0.602506 -2.803631 Rho 0.3129242E-02 |GRAD(Rho)| 0.1257249E-14 GRAD(Rho)x -0.1192298E-14 GRAD(Rho)y -0.3480048E-15 GRAD(Rho)z -0.1949137E-15 Laplacian 0.1243207E-01 (-1/4)Del**2(Rho)) -0.3108018E-02 Diamond 0.9638008E-04 Metallicity 0.3710806E+00 Ellipticity -0.4277794E+00 Gb(Abramov) 0.2264233E-02 Vb(Abramov) -0.1420448E-02 Hb(Abramov) 0.8437852E-03 Ex_ueg -0.3380420E-03 Ec_ueg -0.6731673E-04 Delta_ex -0.4656194E-03 Delta_ec 0.2113516E-03 Delta_et -0.1071195E-02 Pxc 0.5021664E+01 Qxc -0.2203056E+01 3,+3 103 3 +1 -0.279614 -0.499813 -3.191166 Rho 0.3277360E-02 |GRAD(Rho)| 0.8067340E-17 GRAD(Rho)x -0.7668918E-17 GRAD(Rho)y 0.2346785E-17 GRAD(Rho)z 0.8730865E-18 Laplacian 0.1293460E-01 (-1/4)Del**2(Rho)) -0.3233649E-02 Diamond 0.1401477E-03 Metallicity 0.3852421E+00 Ellipticity -0.1459250E+01 Gb(Abramov) 0.2363389E-02 Vb(Abramov) -0.1493129E-02 Hb(Abramov) 0.8702600E-03 Ex_ueg -0.3595427E-03 Ec_ueg -0.7355088E-04 Delta_ex -0.5438867E-03 Delta_ec 0.3172444E-03 Delta_et -0.1554150E-02 Pxc 0.4888354E+01 Qxc -0.1714409E+01 3,+1 104 3 +3 0.045767 -0.062063 2.266305 Rho 0.4520436E-02 |GRAD(Rho)| 0.5158883E-17 GRAD(Rho)x -0.3815572E-18 GRAD(Rho)y 0.4327144E-17 GRAD(Rho)z 0.2782861E-17 Laplacian 0.1851133E-01 (-1/4)Del**2(Rho)) -0.4627833E-02 Diamond 0.1461858E-03 Metallicity 0.4600545E+00 Ellipticity -0.3324837E+00 Gb(Abramov) 0.3440065E-02 Vb(Abramov) -0.2252296E-02 Hb(Abramov) 0.1187769E-02 Ex_ueg -0.5520250E-03 Ec_ueg -0.1263339E-03 Delta_ex -0.6576223E-03 Delta_ec 0.1452190E-03 Delta_et -0.9438163E-03 Pxc 0.4369571E+01 Qxc -0.4528486E+01 3,+3 105 3 -1 -0.831171 -3.497441 -1.260286 Rho 0.3154395E+00 |GRAD(Rho)| 0.3295667E-15 GRAD(Rho)x -0.7158953E-16 GRAD(Rho)y 0.2577327E-15 GRAD(Rho)z 0.1925174E-15 Laplacian -0.1633617E+01 (-1/4)Del**2(Rho)) 0.4084042E+00 Diamond 0.5587133E+01 Metallicity -0.6165804E+01 Ellipticity 0.2845547E-02 Gb(Abramov) 0.1474205E+00 Vb(Abramov) -0.7032453E+00 Hb(Abramov) -0.5558247E+00 Ex_ueg -0.1585890E+00 Ec_ueg -0.1981021E-01 Delta_ex 0.1618561E+00 Delta_ec 0.5683434E-01 Delta_et -0.1341763E+01 Pxc 0.8005419E+01 Qxc 0.2847858E+01 3,-1 106 3 +1 -0.661881 -1.698587 0.471148 Rho 0.8857085E-02 |GRAD(Rho)| 0.8439665E-13 GRAD(Rho)x 0.3363521E-13 GRAD(Rho)y 0.6471340E-13 GRAD(Rho)z -0.4246931E-13 Laplacian 0.3355414E-01 (-1/4)Del**2(Rho)) -0.8388536E-02 Diamond 0.9432875E-03 Metallicity 0.7786668E+00 Ellipticity -0.1504339E+01 Gb(Abramov) 0.6681003E-02 Vb(Abramov) -0.4973470E-02 Hb(Abramov) 0.1707533E-02 Ex_ueg -0.1353441E-02 Ec_ueg -0.3164974E-03 Delta_ex -0.1548075E-02 Delta_ec 0.4787723E-03 Delta_et -0.3291921E-02 Pxc 0.4276311E+01 Qxc -0.3233426E+01 3,+1 107 3 -1 0.002230 -3.402462 -1.189602 Rho 0.3216294E-01 |GRAD(Rho)| 0.2627195E-15 GRAD(Rho)x 0.2516664E-15 GRAD(Rho)y 0.6505049E-16 GRAD(Rho)z 0.3813150E-16 Laplacian 0.1004550E+00 (-1/4)Del**2(Rho)) -0.2511375E-01 Diamond 0.4411584E-01 Metallicity 0.2231351E+01 Ellipticity 0.8353927E-02 Gb(Abramov) 0.2608210E-01 Vb(Abramov) -0.2705045E-01 Hb(Abramov) -0.9683477E-03 Ex_ueg -0.7554274E-02 Ec_ueg -0.1455704E-02 Delta_ex -0.8667389E-02 Delta_ec 0.5241863E-02 Delta_et -0.4904857E-01 Pxc 0.5189428E+01 Qxc -0.1653494E+01 3,-1 108 3 +1 0.011452 -3.092025 0.072810 Rho 0.5269638E-02 |GRAD(Rho)| 0.3148306E-15 GRAD(Rho)x 0.2360197E-16 GRAD(Rho)y -0.1143670E-15 GRAD(Rho)z -0.2923721E-15 Laplacian 0.2073501E-01 (-1/4)Del**2(Rho)) -0.5183751E-02 Diamond 0.5340284E-03 Metallicity 0.5303269E+00 Ellipticity -0.4654027E+01 Gb(Abramov) 0.3914015E-02 Vb(Abramov) -0.2644278E-02 Hb(Abramov) 0.1269737E-02 Ex_ueg -0.6772662E-03 Ec_ueg -0.1585348E-03 Delta_ex -0.1054543E-02 Delta_ec 0.6762778E-03 Delta_et -0.3721734E-02 Pxc 0.4272035E+01 Qxc -0.1559333E+01 3,+1 109 3 -1 -0.829237 2.005617 3.000879 Rho 0.1042393E+00 |GRAD(Rho)| 0.8675088E-13 GRAD(Rho)x -0.6303164E-13 GRAD(Rho)y -0.4625274E-13 GRAD(Rho)z 0.3759536E-13 Laplacian 0.4077600E+00 (-1/4)Del**2(Rho)) -0.1019400E+00 Diamond 0.5282048E+00 Metallicity 0.3901766E+01 Ellipticity 0.2647739E-01 Gb(Abramov) 0.1342510E+00 Vb(Abramov) -0.1665620E+00 Hb(Abramov) -0.3231101E-01 Ex_ueg -0.3623213E-01 Ec_ueg -0.5582564E-02 Delta_ex -0.4004394E-01 Delta_ec 0.1112237E-01 Delta_et -0.1391027E+00 Pxc 0.6490232E+01 Qxc -0.3600307E+01 3,-1 110 3 -1 -0.003423 2.961985 0.034350 Rho 0.5757322E-02 |GRAD(Rho)| 0.3305069E-17 GRAD(Rho)x -0.2958356E-17 GRAD(Rho)y 0.1009086E-17 GRAD(Rho)z -0.1073944E-17 Laplacian 0.2307049E-01 (-1/4)Del**2(Rho)) -0.5767622E-02 Diamond 0.7672074E-03 Metallicity 0.5524045E+00 Ellipticity 0.2076716E+01 Gb(Abramov) 0.4376092E-02 Vb(Abramov) -0.2984561E-02 Hb(Abramov) 0.1391531E-02 Ex_ueg -0.7621008E-03 Ec_ueg -0.1796476E-03 Delta_ex -0.1268913E-02 Delta_ec 0.8869633E-03 Delta_et -0.4961337E-02 Pxc 0.4242198E+01 Qxc -0.1430627E+01 3,-1 111 3 +3 -0.121422 -2.414058 -0.176784 Rho 0.4017419E-02 |GRAD(Rho)| 0.2007366E-17 GRAD(Rho)x 0.9370399E-18 GRAD(Rho)y 0.1348927E-17 GRAD(Rho)z -0.1154067E-17 Laplacian 0.1621352E-01 (-1/4)Del**2(Rho)) -0.4053379E-02 Diamond 0.1052017E-03 Metallicity 0.4315004E+00 Ellipticity -0.3522148E+00 Gb(Abramov) 0.2993759E-02 Vb(Abramov) -0.1934138E-02 Hb(Abramov) 0.1059621E-02 Ex_ueg -0.4716805E-03 Ec_ueg -0.1048765E-03 Delta_ex -0.5538015E-03 Delta_ec 0.1185758E-03 Delta_et -0.7643052E-03 Pxc 0.4497484E+01 Qxc -0.4670445E+01 3,+3 112 3 +1 2.145004 -1.355447 1.118180 Rho 0.2555644E-01 |GRAD(Rho)| 0.2403527E-14 GRAD(Rho)x 0.1091004E-14 GRAD(Rho)y -0.1829527E-14 GRAD(Rho)z -0.1113321E-14 Laplacian 0.1026298E+00 (-1/4)Del**2(Rho)) -0.2565745E-01 Diamond 0.1525692E-01 Metallicity 0.1488813E+01 Ellipticity -0.7118022E+01 Gb(Abramov) 0.2347149E-01 Vb(Abramov) -0.2128553E-01 Hb(Abramov) 0.2185958E-02 Ex_ueg -0.5559710E-02 Ec_ueg -0.1116771E-02 Delta_ex -0.6570554E-02 Delta_ec 0.2009129E-02 Delta_et -0.1777268E-01 Pxc 0.4978381E+01 Qxc -0.3270350E+01 3,+1 113 3 -1 -0.576311 -1.801514 2.795486 Rho 0.1362811E+00 |GRAD(Rho)| 0.3848897E-12 GRAD(Rho)x 0.2402605E-12 GRAD(Rho)y -0.2945324E-12 GRAD(Rho)z -0.6054472E-13 Laplacian 0.5698506E+00 (-1/4)Del**2(Rho)) -0.1424627E+00 Diamond 0.1033270E+01 Metallicity 0.4364267E+01 Ellipticity 0.8572551E-02 Gb(Abramov) 0.1985993E+00 Vb(Abramov) -0.2547359E+00 Hb(Abramov) -0.5613663E-01 Ex_ueg -0.5179634E-01 Ec_ueg -0.7571175E-02 Delta_ex -0.5982650E-01 Delta_ec 0.1488599E-01 Delta_et -0.1955523E+00 Pxc 0.6841255E+01 Qxc -0.4018979E+01 3,-1 114 3 -1 -0.250639 -1.236673 -3.529411 Rho 0.4559442E-02 |GRAD(Rho)| 0.5210001E-18 GRAD(Rho)x 0.7352230E-20 GRAD(Rho)y 0.4601659E-18 GRAD(Rho)z -0.2442016E-18 Laplacian 0.1764850E-01 (-1/4)Del**2(Rho)) -0.4412126E-02 Diamond 0.5668473E-03 Metallicity 0.4895060E+00 Ellipticity 0.1775836E+00 Gb(Abramov) 0.3301378E-02 Vb(Abramov) -0.2190629E-02 Hb(Abramov) 0.1110748E-02 Ex_ueg -0.5583852E-03 Ec_ueg -0.1280033E-03 Delta_ex -0.1075541E-02 Delta_ec 0.9368222E-03 Delta_et -0.4793127E-02 Pxc 0.4362272E+01 Qxc -0.1148074E+01 3,-1 115 3 -1 0.490819 -1.777245 1.690838 Rho 0.4975676E-01 |GRAD(Rho)| 0.3037861E-12 GRAD(Rho)x 0.8914897E-13 GRAD(Rho)y -0.2810256E-12 GRAD(Rho)z 0.7323296E-13 Laplacian 0.2004131E+00 (-1/4)Del**2(Rho)) -0.5010327E-01 Diamond 0.1001471E+00 Metallicity 0.2314411E+01 Ellipticity 0.1333678E-01 Gb(Abramov) 0.5272878E-01 Vb(Abramov) -0.5535428E-01 Hb(Abramov) -0.2625506E-02 Ex_ueg -0.1351620E-01 Ec_ueg -0.2401433E-02 Delta_ex -0.1644257E-01 Delta_ec 0.5911595E-02 Delta_et -0.6224037E-01 Pxc 0.5628388E+01 Qxc -0.2781411E+01 3,-1 116 3 +1 -0.315062 -1.009858 -2.775758 Rho 0.3254597E-02 |GRAD(Rho)| 0.7557991E-17 GRAD(Rho)x 0.5842876E-17 GRAD(Rho)y -0.1398844E-17 GRAD(Rho)z -0.4585549E-17 Laplacian 0.1295114E-01 (-1/4)Del**2(Rho)) -0.3237785E-02 Diamond 0.1230165E-03 Metallicity 0.3803066E+00 Ellipticity -0.1303536E+01 Gb(Abramov) 0.2363748E-02 Vb(Abramov) -0.1489712E-02 Hb(Abramov) 0.8740364E-03 Ex_ueg -0.3562170E-03 Ec_ueg -0.7259204E-04 Delta_ex -0.5174924E-03 Delta_ec 0.2706184E-03 Delta_et -0.1348057E-02 Pxc 0.4907109E+01 Qxc -0.1912259E+01 3,+1 117 3 +1 0.542320 0.428091 1.662252 Rho 0.7567352E-02 |GRAD(Rho)| 0.1686832E-16 GRAD(Rho)x -0.1154638E-16 GRAD(Rho)y 0.4951724E-17 GRAD(Rho)z -0.1125618E-16 Laplacian 0.2963984E-01 (-1/4)Del**2(Rho)) -0.7409959E-02 Diamond 0.6853911E-03 Metallicity 0.6781263E+00 Ellipticity -0.1420686E+01 Gb(Abramov) 0.5777454E-02 Vb(Abramov) -0.4144949E-02 Hb(Abramov) 0.1632505E-02 Ex_ueg -0.1097262E-02 Ec_ueg -0.2590162E-03 Delta_ex -0.1321314E-02 Delta_ec 0.4351961E-03 Delta_et -0.2862657E-02 Pxc 0.4236268E+01 Qxc -0.3036134E+01 3,+1 118 3 +3 1.077573 1.069983 1.063925 Rho 0.4357548E-02 |GRAD(Rho)| 0.5282307E-12 GRAD(Rho)x -0.5100921E-13 GRAD(Rho)y -0.6343884E-13 GRAD(Rho)z -0.5219207E-12 Laplacian 0.1702655E-01 (-1/4)Del**2(Rho)) -0.4256639E-02 Diamond 0.1091567E-03 Metallicity 0.4704969E+00 Ellipticity -0.2699712E+00 Gb(Abramov) 0.3171548E-02 Vb(Abramov) -0.2086458E-02 Hb(Abramov) 0.1085090E-02 Ex_ueg -0.5256637E-03 Ec_ueg -0.1193711E-03 Delta_ex -0.5781946E-03 Delta_ec 0.9620560E-04 Delta_et -0.6814628E-03 Pxc 0.4403609E+01 Qxc -0.6009988E+01 3,+3 119 3 +1 -0.189353 2.949406 0.219324 Rho 0.5692689E-02 |GRAD(Rho)| 0.3801853E-17 GRAD(Rho)x -0.2903243E-17 GRAD(Rho)y -0.3707846E-18 GRAD(Rho)z 0.2426475E-17 Laplacian 0.2377012E-01 (-1/4)Del**2(Rho)) -0.5942531E-02 Diamond 0.6173462E-03 Metallicity 0.5261515E+00 Ellipticity -0.2396623E+01 Gb(Abramov) 0.4482799E-02 Vb(Abramov) -0.3023067E-02 Hb(Abramov) 0.1459732E-02 Ex_ueg -0.7507148E-03 Ec_ueg -0.1768427E-03 Delta_ex -0.1178770E-02 Delta_ec 0.6890296E-03 Delta_et -0.3914136E-02 Pxc 0.4245098E+01 Qxc -0.1710768E+01 3,+1 120 3 -1 -0.832252 2.974596 2.003282 Rho 0.1339295E+00 |GRAD(Rho)| 0.2361623E-15 GRAD(Rho)x -0.1818885E-15 GRAD(Rho)y 0.1044968E-15 GRAD(Rho)z -0.1084880E-15 Laplacian 0.5201316E+00 (-1/4)Del**2(Rho)) -0.1300329E+00 Diamond 0.9106785E+00 Metallicity 0.4644726E+01 Ellipticity 0.4606364E-01 Gb(Abramov) 0.1873498E+00 Vb(Abramov) -0.2446667E+00 Hb(Abramov) -0.5731689E-01 Ex_ueg -0.5060808E-01 Ec_ueg -0.7422847E-02 Delta_ex -0.5422736E-01 Delta_ec 0.1337693E-01 Delta_et -0.1747286E+00 Pxc 0.6817880E+01 Qxc -0.4053797E+01 3,-1 121 3 +1 0.153068 -0.167021 2.972142 Rho 0.5638992E-02 |GRAD(Rho)| 0.1375395E-15 GRAD(Rho)x 0.9758560E-16 GRAD(Rho)y -0.9533468E-16 GRAD(Rho)z 0.1747770E-16 Laplacian 0.2337616E-01 (-1/4)Del**2(Rho)) -0.5844039E-02 Diamond 0.5982006E-03 Metallicity 0.5266344E+00 Ellipticity -0.2360740E+01 Gb(Abramov) 0.4408972E-02 Vb(Abramov) -0.2973904E-02 Hb(Abramov) 0.1435068E-02 Ex_ueg -0.7412882E-03 Ec_ueg -0.1745141E-03 Delta_ex -0.1156052E-02 Delta_ec 0.6758910E-03 Delta_et -0.3829457E-02 Pxc 0.4247728E+01 Qxc -0.1710412E+01 3,+1 122 3 +1 2.201847 1.026973 -1.406490 Rho 0.2529652E-01 |GRAD(Rho)| 0.1515599E-13 GRAD(Rho)x 0.2290093E-14 GRAD(Rho)y -0.9841385E-14 GRAD(Rho)z -0.1129630E-13 Laplacian 0.9714142E-01 (-1/4)Del**2(Rho)) -0.2428535E-01 Diamond 0.1206093E-01 Metallicity 0.1546358E+01 Ellipticity -0.2877735E+01 Gb(Abramov) 0.2244921E-01 Vb(Abramov) -0.2061307E-01 Hb(Abramov) 0.1836144E-02 Ex_ueg -0.5484446E-02 Ec_ueg -0.1103655E-02 Delta_ex -0.5969644E-02 Delta_ec 0.1485783E-02 Delta_et -0.1318949E-01 Pxc 0.4969348E+01 Qxc -0.4017843E+01 3,+1 123 3 +1 0.541459 1.671211 0.476792 Rho 0.7254342E-02 |GRAD(Rho)| 0.5981482E-17 GRAD(Rho)x 0.3666306E-17 GRAD(Rho)y 0.4627875E-17 GRAD(Rho)z -0.9586924E-18 Laplacian 0.2832980E-01 (-1/4)Del**2(Rho)) -0.7082449E-02 Diamond 0.6130239E-03 Metallicity 0.6612511E+00 Ellipticity -0.1399044E+01 Gb(Abramov) 0.5502179E-02 Vb(Abramov) -0.3921909E-02 Hb(Abramov) 0.1580270E-02 Ex_ueg -0.1037168E-02 Ec_ueg -0.2451801E-03 Delta_ex -0.1246647E-02 Delta_ec 0.4103921E-03 Delta_et -0.2674294E-02 Pxc 0.4230229E+01 Qxc -0.3037698E+01 3,+1 124 3 -1 0.429752 0.389866 -0.534462 Rho 0.1797848E+00 |GRAD(Rho)| 0.1863839E-15 GRAD(Rho)x 0.1283695E-15 GRAD(Rho)y 0.1006140E-15 GRAD(Rho)z 0.9020562E-16 Laplacian 0.4718277E+00 (-1/4)Del**2(Rho)) -0.1179569E+00 Diamond 0.1214608E+01 Metallicity 0.8364079E+01 Ellipticity 0.6321336E-02 Gb(Abramov) 0.2430714E+00 Vb(Abramov) -0.3681860E+00 Hb(Abramov) -0.1251145E+00 Ex_ueg -0.7494150E-01 Ec_ueg -0.1037672E-01 Delta_ex -0.5320913E-01 Delta_ec 0.1179458E-01 Delta_et -0.1616236E+00 Pxc 0.7222082E+01 Qxc -0.4511320E+01 3,-1 125 3 +1 0.317706 -1.939200 -0.736931 Rho 0.6056694E-02 |GRAD(Rho)| 0.2802521E-17 GRAD(Rho)x 0.1120925E-18 GRAD(Rho)y -0.2632693E-17 GRAD(Rho)z 0.9541925E-18 Laplacian 0.2351993E-01 (-1/4)Del**2(Rho)) -0.5879984E-02 Diamond 0.5843875E-03 Metallicity 0.5896168E+00 Ellipticity -0.2050347E+01 Gb(Abramov) 0.4497812E-02 Vb(Abramov) -0.3115640E-02 Hb(Abramov) 0.1382172E-02 Ex_ueg -0.8153911E-03 Ec_ueg -0.1926663E-03 Delta_ex -0.1123880E-02 Delta_ec 0.5795372E-03 Delta_et -0.3396965E-02 Pxc 0.4232141E+01 Qxc -0.1939271E+01 3,+1 126 3 -1 -0.506386 0.410019 0.420252 Rho 0.1781358E+00 |GRAD(Rho)| 0.3331030E-15 GRAD(Rho)x -0.4163336E-16 GRAD(Rho)y -0.2949030E-15 GRAD(Rho)z -0.1491862E-15 Laplacian 0.4649674E+00 (-1/4)Del**2(Rho)) -0.1162419E+00 Diamond 0.1181318E+01 Metallicity 0.8358131E+01 Ellipticity 0.2007384E-02 Gb(Abramov) 0.2394220E+00 Vb(Abramov) -0.3626022E+00 Hb(Abramov) -0.1231802E+00 Ex_ueg -0.7402639E-01 Ec_ueg -0.1026833E-01 Delta_ex -0.5229537E-01 Delta_ec 0.1161610E-01 Delta_et -0.1589093E+00 Pxc 0.7209197E+01 Qxc -0.4501973E+01 3,-1 127 3 -1 -0.592586 -2.782668 1.836600 Rho 0.1598763E+00 |GRAD(Rho)| 0.2670957E-11 GRAD(Rho)x 0.1793800E-11 GRAD(Rho)y 0.5892717E-12 GRAD(Rho)z 0.1889194E-11 Laplacian 0.6671269E+00 (-1/4)Del**2(Rho)) -0.1667817E+00 Diamond 0.1446692E+01 Metallicity 0.4864573E+01 Ellipticity 0.3033235E-01 Gb(Abramov) 0.2464081E+00 Vb(Abramov) -0.3260345E+00 Hb(Abramov) -0.7962639E-01 Ex_ueg -0.6408608E-01 Ec_ueg -0.9078705E-02 Delta_ex -0.7266225E-01 Delta_ec 0.1644822E-01 Delta_et -0.2203000E+00 Pxc 0.7058945E+01 Qxc -0.4417636E+01 3,-1 128 3 -1 -0.060298 0.042773 2.953275 Rho 0.5718862E-02 |GRAD(Rho)| 0.3997108E-12 GRAD(Rho)x 0.3155648E-13 GRAD(Rho)y 0.3950537E-12 GRAD(Rho)z 0.5201421E-13 Laplacian 0.2303900E-01 (-1/4)Del**2(Rho)) -0.5759751E-02 Diamond 0.7431464E-03 Metallicity 0.5470145E+00 Ellipticity 0.2999858E+01 Gb(Abramov) 0.4364945E-02 Vb(Abramov) -0.2970139E-02 Hb(Abramov) 0.1394806E-02 Ex_ueg -0.7553204E-03 Ec_ueg -0.1779783E-03 Delta_ex -0.1253095E-02 Delta_ec 0.8633760E-03 Delta_et -0.4826811E-02 Pxc 0.4243889E+01 Qxc -0.1451390E+01 3,-1 129 3 +1 0.191829 2.977287 -0.161530 Rho 0.5680769E-02 |GRAD(Rho)| 0.6123715E-17 GRAD(Rho)x 0.3425822E-17 GRAD(Rho)y -0.6434624E-18 GRAD(Rho)z -0.5034837E-17 Laplacian 0.2354792E-01 (-1/4)Del**2(Rho)) -0.5886981E-02 Diamond 0.6043036E-03 Metallicity 0.5292640E+00 Ellipticity -0.2322392E+01 Gb(Abramov) 0.4443948E-02 Vb(Abramov) -0.3000916E-02 Hb(Abramov) 0.1443032E-02 Ex_ueg -0.7486196E-03 Ec_ueg -0.1763257E-03 Delta_ex -0.1162910E-02 Delta_ec 0.6748299E-03 Delta_et -0.3834440E-02 Pxc 0.4245664E+01 Qxc -0.1723265E+01 3,+1 130 3 -1 -0.559195 1.789164 -2.774150 Rho 0.1368390E+00 |GRAD(Rho)| 0.3808684E-13 GRAD(Rho)x 0.3692912E-13 GRAD(Rho)y -0.3016467E-14 GRAD(Rho)z -0.8817511E-14 Laplacian 0.5840665E+00 (-1/4)Del**2(Rho)) -0.1460166E+00 Diamond 0.1035988E+01 Metallicity 0.4287137E+01 Ellipticity 0.3010296E-01 Gb(Abramov) 0.2016766E+00 Vb(Abramov) -0.2573366E+00 Hb(Abramov) -0.5566000E-01 Ex_ueg -0.5207927E-01 Ec_ueg -0.7606420E-02 Delta_ex -0.6106145E-01 Delta_ec 0.1467404E-01 Delta_et -0.1917527E+00 Pxc 0.6846752E+01 Qxc -0.4161187E+01 3,-1 131 3 -1 -0.004601 -2.231267 -1.028672 Rho 0.6382339E-02 |GRAD(Rho)| 0.1405211E-16 GRAD(Rho)x 0.4842817E-17 GRAD(Rho)y -0.1317876E-16 GRAD(Rho)z 0.5738075E-18 Laplacian 0.2474593E-01 (-1/4)Del**2(Rho)) -0.6186481E-02 Diamond 0.8710758E-03 Metallicity 0.6115180E+00 Ellipticity 0.2058317E+02 Gb(Abramov) 0.4754845E-02 Vb(Abramov) -0.3323209E-02 Hb(Abramov) 0.1431636E-02 Ex_ueg -0.8743625E-03 Ec_ueg -0.2068771E-03 Delta_ex -0.1337506E-02 Delta_ec 0.8626344E-03 Delta_et -0.5007676E-02 Pxc 0.4226484E+01 Qxc -0.1550490E+01 3,-1 132 3 +1 1.491920 -2.045808 -2.036858 Rho 0.6181872E-02 |GRAD(Rho)| 0.4309474E-17 GRAD(Rho)x 0.9707498E-18 GRAD(Rho)y 0.4099276E-17 GRAD(Rho)z -0.9083761E-18 Laplacian 0.2678239E-01 (-1/4)Del**2(Rho)) -0.6695599E-02 Diamond 0.8608036E-03 Metallicity 0.5357519E+00 Ellipticity -0.3305913E+01 Gb(Abramov) 0.5061596E-02 Vb(Abramov) -0.3427593E-02 Hb(Abramov) 0.1634003E-02 Ex_ueg -0.8379377E-03 Ec_ueg -0.1981228E-03 Delta_ex -0.1409081E-02 Delta_ec 0.8807314E-03 Delta_et -0.5082438E-02 Pxc 0.4229385E+01 Qxc -0.1599898E+01 3,+1 133 3 -1 -0.060564 3.171493 -3.183073 Rho 0.2311558E+00 |GRAD(Rho)| 0.2070277E-10 GRAD(Rho)x -0.3889890E-11 GRAD(Rho)y 0.1466275E-10 GRAD(Rho)z -0.1408820E-10 Laplacian 0.8400312E+00 (-1/4)Del**2(Rho)) -0.2100078E+00 Diamond 0.2846180E+01 Metallicity 0.7142097E+01 Ellipticity 0.4699077E-03 Gb(Abramov) 0.3899879E+00 Vb(Abramov) -0.5699680E+00 Hb(Abramov) -0.1799801E+00 Ex_ueg -0.1047751E+00 Ec_ueg -0.1382988E-01 Delta_ex -0.1005408E+00 Delta_ec 0.1882770E-01 Delta_et -0.2606872E+00 Pxc 0.7575994E+01 Qxc -0.5340049E+01 3,-1 134 3 -1 0.105152 3.213019 3.191472 Rho 0.2287163E+00 |GRAD(Rho)| 0.3448067E-14 GRAD(Rho)x -0.2142953E-14 GRAD(Rho)y -0.2701127E-14 GRAD(Rho)z 0.2889399E-16 Laplacian 0.8209669E+00 (-1/4)Del**2(Rho)) -0.2052417E+00 Diamond 0.2753110E+01 Metallicity 0.7179859E+01 Ellipticity 0.3422345E-02 Gb(Abramov) 0.3824289E+00 Vb(Abramov) -0.5596161E+00 Hb(Abramov) -0.1771872E+00 Ex_ueg -0.1033034E+00 Ec_ueg -0.1366259E-01 Delta_ex -0.9802727E-01 Delta_ec 0.1852610E-01 Delta_et -0.2566694E+00 Pxc 0.7561038E+01 Qxc -0.5291307E+01 3,-1 135 3 -1 0.562933 1.819244 2.769004 Rho 0.1493768E+00 |GRAD(Rho)| 0.7457995E-13 GRAD(Rho)x -0.4380647E-13 GRAD(Rho)y 0.5974825E-13 GRAD(Rho)z -0.8562026E-14 Laplacian 0.6166199E+00 (-1/4)Del**2(Rho)) -0.1541550E+00 Diamond 0.1220721E+01 Metallicity 0.4699675E+01 Ellipticity 0.2427592E-01 Gb(Abramov) 0.2235163E+00 Vb(Abramov) -0.2928777E+00 Hb(Abramov) -0.6936138E-01 Ex_ueg -0.5853686E-01 Ec_ueg -0.8403635E-02 Delta_ex -0.6592480E-01 Delta_ec 0.1525658E-01 Delta_et -0.2020496E+00 Pxc 0.6965660E+01 Qxc -0.4321072E+01 3,-1 136 3 +1 2.003483 -1.997484 2.034803 Rho 0.1202621E-01 |GRAD(Rho)| 0.2867327E-14 GRAD(Rho)x -0.1790021E-14 GRAD(Rho)y 0.1418023E-14 GRAD(Rho)z -0.1733955E-14 Laplacian 0.5651701E-01 (-1/4)Del**2(Rho)) -0.1412925E-01 Diamond 0.1801842E-02 Metallicity 0.7696889E+00 Ellipticity -0.1109898E+01 Gb(Abramov) 0.1123202E-01 Vb(Abramov) -0.8334794E-02 Hb(Abramov) 0.2897229E-02 Ex_ueg -0.2034964E-02 Ec_ueg -0.4607790E-03 Delta_ex -0.2644353E-02 Delta_ec 0.4920123E-03 Delta_et -0.3876671E-02 Pxc 0.4416355E+01 Qxc -0.5374567E+01 3,+1 137 3 -1 -0.083544 -3.196159 3.221374 Rho 0.2407892E+00 |GRAD(Rho)| 0.1070320E-14 GRAD(Rho)x 0.1708432E-15 GRAD(Rho)y 0.7706509E-15 GRAD(Rho)z -0.7228376E-15 Laplacian 0.8885082E+00 (-1/4)Del**2(Rho)) -0.2221270E+00 Diamond 0.3143530E+01 Metallicity 0.7227920E+01 Ellipticity 0.3401275E-02 Gb(Abramov) 0.4156708E+00 Vb(Abramov) -0.6092145E+00 Hb(Abramov) -0.1935437E+00 Ex_ueg -0.1106372E+00 Ec_ueg -0.1449368E-01 Delta_ex -0.1073820E+00 Delta_ec 0.1950176E-01 Delta_et -0.2696885E+00 Pxc 0.7633474E+01 Qxc -0.5506273E+01 3,-1 138 3 -1 0.858109 -3.000278 2.038370 Rho 0.1475864E+00 |GRAD(Rho)| 0.3981554E-12 GRAD(Rho)x 0.2998919E-12 GRAD(Rho)y -0.1720898E-12 GRAD(Rho)z -0.1974276E-12 Laplacian 0.5822000E+00 (-1/4)Del**2(Rho)) -0.1455500E+00 Diamond 0.1155929E+01 Metallicity 0.4878481E+01 Ellipticity 0.5855561E-01 Gb(Abramov) 0.2153772E+00 Vb(Abramov) -0.2852043E+00 Hb(Abramov) -0.6982715E-01 Ex_ueg -0.5760321E-01 Ec_ueg -0.8289185E-02 Delta_ex -0.6226270E-01 Delta_ec 0.1481066E-01 Delta_et -0.1966638E+00 Pxc 0.6949200E+01 Qxc -0.4203912E+01 3,-1 139 3 -1 0.531883 1.674052 -1.754150 Rho 0.4534245E-01 |GRAD(Rho)| 0.1825282E-15 GRAD(Rho)x -0.4039553E-16 GRAD(Rho)y 0.1262109E-15 GRAD(Rho)z -0.1255212E-15 Laplacian 0.1875547E+00 (-1/4)Del**2(Rho)) -0.4688866E-01 Diamond 0.8477554E-01 Metallicity 0.2118330E+01 Ellipticity 0.1577337E-01 Gb(Abramov) 0.4781339E-01 Vb(Abramov) -0.4873811E-01 Hb(Abramov) -0.9247221E-03 Ex_ueg -0.1194149E-01 Ec_ueg -0.2159087E-02 Delta_ex -0.1513926E-01 Delta_ec 0.5726823E-02 Delta_et -0.5888215E-01 Pxc 0.5530804E+01 Qxc -0.2643571E+01 3,-1 140 3 -1 0.880467 2.004609 -2.978509 Rho 0.1407386E+00 |GRAD(Rho)| 0.8167400E-13 GRAD(Rho)x 0.5393265E-13 GRAD(Rho)y -0.5553089E-13 GRAD(Rho)z 0.2604289E-13 Laplacian 0.5549961E+00 (-1/4)Del**2(Rho)) -0.1387490E+00 Diamond 0.1025545E+01 Metallicity 0.4728010E+01 Ellipticity 0.8015161E-01 Gb(Abramov) 0.2018338E+00 Vb(Abramov) -0.2649186E+00 Hb(Abramov) -0.6308480E-01 Ex_ueg -0.5406745E-01 Ec_ueg -0.7853310E-02 Delta_ex -0.5850237E-01 Delta_ec 0.1398916E-01 Delta_et -0.1838546E+00 Pxc 0.6884670E+01 Qxc -0.4181978E+01 3,-1 141 3 -1 0.841463 2.975237 -1.966337 Rho 0.1222841E+00 |GRAD(Rho)| 0.4474161E-15 GRAD(Rho)x -0.4178244E-15 GRAD(Rho)y -0.1068685E-15 GRAD(Rho)z -0.1190928E-15 Laplacian 0.4744868E+00 (-1/4)Del**2(Rho)) -0.1186217E+00 Diamond 0.7447990E+00 Metallicity 0.4375280E+01 Ellipticity 0.4519542E-01 Gb(Abramov) 0.1655817E+00 Vb(Abramov) -0.2125416E+00 Hb(Abramov) -0.4695996E-01 Ex_ueg -0.4482757E-01 Ec_ueg -0.6693699E-02 Delta_ex -0.4839536E-01 Delta_ec 0.1247316E-01 Delta_et -0.1605471E+00 Pxc 0.6696981E+01 Qxc -0.3879959E+01 3,-1 142 3 +3 1.961076 1.928057 -1.921267 Rho 0.1188846E-01 |GRAD(Rho)| 0.2295580E-16 GRAD(Rho)x 0.2226092E-16 GRAD(Rho)y -0.5438623E-17 GRAD(Rho)z -0.1357127E-17 Laplacian 0.5509629E-01 (-1/4)Del**2(Rho)) -0.1377407E-01 Diamond 0.1426779E-02 Metallicity 0.7745213E+00 Ellipticity -0.8715001E+00 Gb(Abramov) 0.1096077E-01 Vb(Abramov) -0.8147461E-02 Hb(Abramov) 0.2813305E-02 Ex_ueg -0.2003945E-02 Ec_ueg -0.4544223E-03 Delta_ex -0.2481284E-02 Delta_ec 0.3218570E-03 Delta_et -0.2711612E-02 Pxc 0.4409874E+01 Qxc -0.7709274E+01 3,+3 143 3 -1 0.584525 2.809595 1.804595 Rho 0.1526790E+00 |GRAD(Rho)| 0.1417072E-13 GRAD(Rho)x 0.2119466E-14 GRAD(Rho)y -0.6158621E-14 GRAD(Rho)z -0.1258526E-13 Laplacian 0.6333997E+00 (-1/4)Del**2(Rho)) -0.1583499E+00 Diamond 0.1292607E+01 Metallicity 0.4744977E+01 Ellipticity 0.2524094E-01 Gb(Abramov) 0.2307944E+00 Vb(Abramov) -0.3032389E+00 Hb(Abramov) -0.7244449E-01 Ex_ueg -0.6026856E-01 Ec_ueg -0.8615228E-02 Delta_ex -0.6813757E-01 Delta_ec 0.1567771E-01 Delta_et -0.2084471E+00 Pxc 0.6995584E+01 Qxc -0.4346144E+01 3,-1 144 3 -1 0.401464 -0.558005 0.391332 Rho 0.1792404E+00 |GRAD(Rho)| 0.4052793E-13 GRAD(Rho)x -0.2313427E-13 GRAD(Rho)y 0.2483430E-13 GRAD(Rho)z -0.2214895E-13 Laplacian 0.4717068E+00 (-1/4)Del**2(Rho)) -0.1179267E+00 Diamond 0.1211045E+01 Metallicity 0.8324044E+01 Ellipticity 0.6448055E-02 Gb(Abramov) 0.2422223E+00 Vb(Abramov) -0.3665179E+00 Hb(Abramov) -0.1242956E+00 Ex_ueg -0.7463910E-01 Ec_ueg -0.1034092E-01 Delta_ex -0.5316430E-01 Delta_ec 0.1181713E-01 Delta_et -0.1619230E+00 Pxc 0.7217840E+01 Qxc -0.4498917E+01 3,-1 145 3 +1 1.288816 1.151787 -2.197052 Rho 0.2873956E-01 |GRAD(Rho)| 0.4899407E-15 GRAD(Rho)x -0.3473097E-15 GRAD(Rho)y 0.2739520E-15 GRAD(Rho)z 0.2106375E-15 Laplacian 0.1182599E+00 (-1/4)Del**2(Rho)) -0.2956498E-01 Diamond 0.2103514E-01 Metallicity 0.1571240E+01 Ellipticity -0.1678317E+02 Gb(Abramov) 0.2745226E-01 Vb(Abramov) -0.2533955E-01 Hb(Abramov) 0.2112716E-02 Ex_ueg -0.6501673E-02 Ec_ueg -0.1278777E-02 Delta_ex -0.7842291E-02 Delta_ec 0.2376158E-02 Delta_et -0.2164719E-01 Pxc 0.5084290E+01 Qxc -0.3300408E+01 3,+1 146 3 -1 1.382626 -2.119505 -2.115173 Rho 0.6203727E-02 |GRAD(Rho)| 0.1242729E-14 GRAD(Rho)x 0.9036044E-15 GRAD(Rho)y 0.5704968E-15 GRAD(Rho)z 0.6343562E-15 Laplacian 0.2568627E-01 (-1/4)Del**2(Rho)) -0.6421567E-02 Diamond 0.9954564E-03 Metallicity 0.5619098E+00 Ellipticity 0.1926826E+01 Gb(Abramov) 0.4882435E-02 Vb(Abramov) -0.3343303E-02 Hb(Abramov) 0.1539132E-02 Ex_ueg -0.8418898E-03 Ec_ueg -0.1990763E-03 Delta_ex -0.1467928E-02 Delta_ec 0.1051045E-02 Delta_et -0.5994201E-02 Pxc 0.4228981E+01 Qxc -0.1396637E+01 3,-1 147 3 -1 2.917776 -2.024656 0.819810 Rho 0.8106662E-01 |GRAD(Rho)| 0.1878030E-15 GRAD(Rho)x -0.1234313E-15 GRAD(Rho)y -0.1279968E-15 GRAD(Rho)z -0.6042733E-16 Laplacian 0.3205845E+00 (-1/4)Del**2(Rho)) -0.8014612E-01 Diamond 0.3067610E+00 Metallicity 0.3263930E+01 Ellipticity 0.1416721E-02 Gb(Abramov) 0.9702930E-01 Vb(Abramov) -0.1139125E+00 Hb(Abramov) -0.1688318E-01 Ex_ueg -0.2591241E-01 Ec_ueg -0.4193214E-02 Delta_ex -0.2971314E-01 Delta_ec 0.9244362E-02 Delta_et -0.1097764E+00 Pxc 0.6179607E+01 Qxc -0.3214191E+01 3,-1 148 3 +1 1.260727 -2.233486 1.156055 Rho 0.2995235E-01 |GRAD(Rho)| 0.9504639E-15 GRAD(Rho)x 0.5317620E-15 GRAD(Rho)y -0.7431342E-15 GRAD(Rho)z -0.2614619E-15 Laplacian 0.1221056E+00 (-1/4)Del**2(Rho)) -0.3052640E-01 Diamond 0.2161828E-01 Metallicity 0.1630281E+01 Ellipticity -0.6820594E+01 Gb(Abramov) 0.2864537E-01 Vb(Abramov) -0.2676434E-01 Hb(Abramov) 0.1881031E-02 Ex_ueg -0.6870046E-02 Ec_ueg -0.1341150E-02 Delta_ex -0.8068836E-02 Delta_ec 0.2244745E-02 Delta_et -0.2068049E-01 Pxc 0.5122505E+01 Qxc -0.3594545E+01 3,+1 149 3 +1 1.369247 -1.069367 2.124010 Rho 0.2469873E-01 |GRAD(Rho)| 0.7643363E-16 GRAD(Rho)x -0.2290524E-16 GRAD(Rho)y 0.2568514E-16 GRAD(Rho)z -0.6824751E-16 Laplacian 0.9589665E-01 (-1/4)Del**2(Rho)) -0.2397416E-01 Diamond 0.1164310E-01 Metallicity 0.1505223E+01 Ellipticity -0.2862804E+01 Gb(Abramov) 0.2199718E-01 Vb(Abramov) -0.2002020E-01 Hb(Abramov) 0.1976979E-02 Ex_ueg -0.5312324E-02 Ec_ueg -0.1073558E-02 Delta_ex -0.5868649E-02 Delta_ec 0.1491017E-02 Delta_et -0.1315524E-01 Pxc 0.4948336E+01 Qxc -0.3936004E+01 3,+1 150 3 +1 1.218477 2.136486 -1.230218 Rho 0.2568381E-01 |GRAD(Rho)| 0.6067080E-16 GRAD(Rho)x 0.1684035E-16 GRAD(Rho)y 0.5828633E-16 GRAD(Rho)z -0.2270304E-18 Laplacian 0.1023623E+00 (-1/4)Del**2(Rho)) -0.2559058E-01 Diamond 0.1518532E-01 Metallicity 0.1505124E+01 Ellipticity -0.7242465E+01 Gb(Abramov) 0.2347988E-01 Vb(Abramov) -0.2136919E-01 Hb(Abramov) 0.2110695E-02 Ex_ueg -0.5596687E-02 Ec_ueg -0.1123204E-02 Delta_ex -0.6547697E-02 Delta_ec 0.1978442E-02 Delta_et -0.1752815E-01 Pxc 0.4982786E+01 Qxc -0.3309522E+01 3,+1 151 3 +1 1.723766 1.785271 1.778114 Rho 0.1225554E-01 |GRAD(Rho)| 0.1334278E-13 GRAD(Rho)x 0.9699359E-14 GRAD(Rho)y 0.4195921E-16 GRAD(Rho)z -0.9162441E-14 Laplacian 0.6105039E-01 (-1/4)Del**2(Rho)) -0.1526260E-01 Diamond 0.2499999E-02 Metallicity 0.7353246E+00 Ellipticity -0.1263456E+01 Gb(Abramov) 0.1204556E-01 Vb(Abramov) -0.8828519E-02 Hb(Abramov) 0.3217038E-02 Ex_ueg -0.2086869E-02 Ec_ueg -0.4713786E-03 Delta_ex -0.3012568E-02 Delta_ec 0.7833854E-03 Delta_et -0.5911280E-02 Pxc 0.4427161E+01 Qxc -0.3845576E+01 3,+1 152 3 -1 2.982015 0.808913 -1.992619 Rho 0.7871725E-01 |GRAD(Rho)| 0.3281267E-13 GRAD(Rho)x 0.1161507E-13 GRAD(Rho)y -0.1628009E-13 GRAD(Rho)z -0.2601384E-13 Laplacian 0.3158112E+00 (-1/4)Del**2(Rho)) -0.7895280E-01 Diamond 0.2905107E+00 Metallicity 0.3154778E+01 Ellipticity 0.2223657E-02 Gb(Abramov) 0.9414829E-01 Vb(Abramov) -0.1093438E+00 Hb(Abramov) -0.1519550E-01 Ex_ueg -0.2491600E-01 Ec_ueg -0.4055018E-02 Delta_ex -0.2905043E-01 Delta_ec 0.9116010E-02 Delta_et -0.1075096E+00 Pxc 0.6144485E+01 Qxc -0.3186748E+01 3,-1 153 3 +3 2.330585 -0.019711 0.067289 Rho 0.4163195E-02 |GRAD(Rho)| 0.3199612E-17 GRAD(Rho)x -0.3047011E-18 GRAD(Rho)y 0.1039585E-17 GRAD(Rho)z -0.3010637E-17 Laplacian 0.1718087E-01 (-1/4)Del**2(Rho)) -0.4295218E-02 Diamond 0.1443623E-03 Metallicity 0.4321281E+00 Ellipticity -0.2410286E+00 Gb(Abramov) 0.3172826E-02 Vb(Abramov) -0.2050434E-02 Hb(Abramov) 0.1122392E-02 Ex_ueg -0.4946379E-03 Ec_ueg -0.1110813E-03 Delta_ex -0.6247499E-03 Delta_ec 0.1835444E-03 Delta_et -0.1090208E-02 Pxc 0.4452934E+01 Qxc -0.3403808E+01 3,+3 154 3 -1 1.721207 -0.605203 1.698436 Rho 0.3422087E-01 |GRAD(Rho)| 0.2218170E-15 GRAD(Rho)x -0.1385556E-15 GRAD(Rho)y -0.8771624E-16 GRAD(Rho)z -0.1493685E-15 Laplacian 0.1407717E+00 (-1/4)Del**2(Rho)) -0.3519292E-01 Diamond 0.4276424E-01 Metallicity 0.1765697E+01 Ellipticity 0.4684621E-01 Gb(Abramov) 0.3381862E-01 Vb(Abramov) -0.3244432E-01 Hb(Abramov) 0.1374301E-02 Ex_ueg -0.8205525E-02 Ec_ueg -0.1563309E-02 Delta_ex -0.1055682E-01 Delta_ec 0.4224052E-02 Delta_et -0.4023463E-01 Pxc 0.5248817E+01 Qxc -0.2499217E+01 3,-1 155 3 -1 1.800497 0.535369 2.773777 Rho 0.1080234E+00 |GRAD(Rho)| 0.2419155E-15 GRAD(Rho)x 0.1831285E-15 GRAD(Rho)y -0.1193503E-15 GRAD(Rho)z -0.1036463E-15 Laplacian 0.4451192E+00 (-1/4)Del**2(Rho)) -0.1112798E+00 Diamond 0.6012033E+00 Metallicity 0.3793150E+01 Ellipticity 0.1266003E-01 Gb(Abramov) 0.1445367E+00 Vb(Abramov) -0.1777936E+00 Hb(Abramov) -0.3325690E-01 Ex_ueg -0.3799639E-01 Ec_ueg -0.5813594E-02 Delta_ex -0.4407030E-01 Delta_ec 0.1202439E-01 Delta_et -0.1513722E+00 Pxc 0.6535783E+01 Qxc -0.3665076E+01 3,-1 156 3 -1 1.702512 0.429569 -1.784732 Rho 0.4697277E-01 |GRAD(Rho)| 0.1789801E-13 GRAD(Rho)x 0.2483279E-14 GRAD(Rho)y 0.1269577E-13 GRAD(Rho)z 0.1236889E-13 Laplacian 0.1846315E+00 (-1/4)Del**2(Rho)) -0.4615787E-01 Diamond 0.8603697E-01 Metallicity 0.2282361E+01 Ellipticity 0.1841357E-01 Gb(Abramov) 0.4833007E-01 Vb(Abramov) -0.5050227E-01 Hb(Abramov) -0.2172197E-02 Ex_ueg -0.1251738E-01 Ec_ueg -0.2248236E-02 Delta_ex -0.1496375E-01 Delta_ec 0.5508923E-02 Delta_et -0.5714752E-01 Pxc 0.5567644E+01 Qxc -0.2716274E+01 3,-1 157 3 -1 1.998019 0.825831 -3.011625 Rho 0.1235233E+00 |GRAD(Rho)| 0.1665124E-15 GRAD(Rho)x -0.1607330E-16 GRAD(Rho)y 0.8311765E-16 GRAD(Rho)z -0.1433857E-15 Laplacian 0.4732229E+00 (-1/4)Del**2(Rho)) -0.1183057E+00 Diamond 0.7707029E+00 Metallicity 0.4461310E+01 Ellipticity 0.2579805E-01 Gb(Abramov) 0.1668369E+00 Vb(Abramov) -0.2153681E+00 Hb(Abramov) -0.4853119E-01 Ex_ueg -0.4543429E-01 Ec_ueg -0.6770855E-02 Delta_ex -0.4862639E-01 Delta_ec 0.1284415E-01 Delta_et -0.1663601E+00 Pxc 0.6710274E+01 Qxc -0.3785878E+01 3,-1 158 3 -1 1.750333 1.687846 -0.571441 Rho 0.3924905E-01 |GRAD(Rho)| 0.5664240E-16 GRAD(Rho)x 0.4418717E-16 GRAD(Rho)y 0.2020534E-16 GRAD(Rho)z 0.2911358E-16 Laplacian 0.1551264E+00 (-1/4)Del**2(Rho)) -0.3878160E-01 Diamond 0.5518567E-01 Metallicity 0.2013613E+01 Ellipticity 0.3293326E-01 Gb(Abramov) 0.3886959E-01 Vb(Abramov) -0.3895758E-01 Hb(Abramov) -0.8799161E-04 Ex_ueg -0.9851234E-02 Ec_ueg -0.1829845E-02 Delta_ex -0.1193703E-01 Delta_ec 0.4481489E-02 Delta_et -0.4429583E-01 Pxc 0.5383644E+01 Qxc -0.2663631E+01 3,-1 159 3 -1 1.754500 -2.996843 -0.577018 Rho 0.2239648E+00 |GRAD(Rho)| 0.1427110E-15 GRAD(Rho)x 0.6158268E-16 GRAD(Rho)y -0.5456247E-16 GRAD(Rho)z 0.1166059E-15 Laplacian 0.8695533E+00 (-1/4)Del**2(Rho)) -0.2173883E+00 Diamond 0.2799221E+01 Metallicity 0.6545608E+01 Ellipticity 0.2157590E-01 Gb(Abramov) 0.3820820E+00 Vb(Abramov) -0.5467757E+00 Hb(Abramov) -0.1646937E+00 Ex_ueg -0.1004519E+00 Ec_ueg -0.1333769E-01 Delta_ex -0.1030080E+00 Delta_ec 0.1928170E-01 Delta_et -0.2650007E+00 Pxc 0.7531429E+01 Qxc -0.5342268E+01 3,-1 160 3 -1 1.947869 -3.039056 0.860631 Rho 0.1276484E+00 |GRAD(Rho)| 0.1281133E-14 GRAD(Rho)x 0.5667057E-15 GRAD(Rho)y 0.6782701E-15 GRAD(Rho)z -0.9274130E-15 Laplacian 0.4905489E+00 (-1/4)Del**2(Rho)) -0.1226372E+00 Diamond 0.8293543E+00 Metallicity 0.4545936E+01 Ellipticity 0.2526699E-01 Gb(Abramov) 0.1746750E+00 Vb(Abramov) -0.2267127E+00 Hb(Abramov) -0.5203774E-01 Ex_ueg -0.4746852E-01 Ec_ueg -0.7028445E-02 Delta_ex -0.5078229E-01 Delta_ec 0.1317390E-01 Delta_et -0.1715278E+00 Pxc 0.6753772E+01 Qxc -0.3854765E+01 3,-1 161 3 +3 1.920499 -1.918195 1.943822 Rho 0.1198617E-01 |GRAD(Rho)| 0.1760327E-16 GRAD(Rho)x 0.1894272E-17 GRAD(Rho)y 0.1735352E-16 GRAD(Rho)z -0.2267650E-17 Laplacian 0.5584906E-01 (-1/4)Del**2(Rho)) -0.1396226E-01 Diamond 0.1411421E-02 Metallicity 0.7745773E+00 Ellipticity -0.8438415E+00 Gb(Abramov) 0.1111065E-01 Vb(Abramov) -0.8259039E-02 Hb(Abramov) 0.2851613E-02 Ex_ueg -0.2025936E-02 Ec_ueg -0.4589306E-03 Delta_ex -0.2506220E-02 Delta_ec 0.2996851E-03 Delta_et -0.2573487E-02 Pxc 0.4414471E+01 Qxc -0.8362847E+01 3,+3 162 3 -1 1.637698 -1.821578 0.446861 Rho 0.5070157E-01 |GRAD(Rho)| 0.8642127E-16 GRAD(Rho)x -0.3307240E-17 GRAD(Rho)y 0.6104609E-16 GRAD(Rho)z 0.6108251E-16 Laplacian 0.2013995E+00 (-1/4)Del**2(Rho)) -0.5034989E-01 Diamond 0.1041857E+00 Metallicity 0.2376423E+01 Ellipticity 0.1657906E-01 Gb(Abramov) 0.5350869E-01 Vb(Abramov) -0.5666750E-01 Hb(Abramov) -0.3158805E-02 Ex_ueg -0.1385948E-01 Ec_ueg -0.2453691E-02 Delta_ex -0.1664184E-01 Delta_ec 0.6010732E-02 Delta_et -0.6361583E-01 Pxc 0.5648422E+01 Qxc -0.2768688E+01 3,-1 163 3 +1 2.028137 2.000957 -1.984259 Rho 0.1190897E-01 |GRAD(Rho)| 0.1978858E-15 GRAD(Rho)x -0.1249491E-15 GRAD(Rho)y -0.1216286E-15 GRAD(Rho)z 0.9355748E-16 Laplacian 0.5554185E-01 (-1/4)Del**2(Rho)) -0.1388546E-01 Diamond 0.1732387E-02 Metallicity 0.7705189E+00 Ellipticity -0.1096553E+01 Gb(Abramov) 0.1104014E-01 Vb(Abramov) -0.8194825E-02 Hb(Abramov) 0.2845319E-02 Ex_ueg -0.2008557E-02 Ec_ueg -0.4553685E-03 Delta_ex -0.2587426E-02 Delta_ec 0.4759308E-03 Delta_et -0.3751082E-02 Pxc 0.4410838E+01 Qxc -0.5436560E+01 3,+1 164 3 -1 1.824808 2.795934 0.549131 Rho 0.1157863E+00 |GRAD(Rho)| 0.2350910E-15 GRAD(Rho)x 0.1957595E-15 GRAD(Rho)y -0.1091487E-15 GRAD(Rho)z 0.7094070E-16 Laplacian 0.4869552E+00 (-1/4)Del**2(Rho)) -0.1217388E+00 Diamond 0.7252259E+00 Metallicity 0.3892415E+01 Ellipticity 0.1449248E-01 Gb(Abramov) 0.1601355E+00 Vb(Abramov) -0.1985323E+00 Hb(Abramov) -0.3839672E-01 Ex_ueg -0.4168000E-01 Ec_ueg -0.6290873E-02 Delta_ex -0.4915596E-01 Delta_ec 0.1320273E-01 Delta_et -0.1687159E+00 Pxc 0.6625472E+01 Qxc -0.3723166E+01 3,-1 165 3 -1 1.998769 2.997396 -0.843421 Rho 0.1464179E+00 |GRAD(Rho)| 0.5490204E-15 GRAD(Rho)x 0.2076383E-15 GRAD(Rho)y -0.2369659E-15 GRAD(Rho)z 0.4496186E-15 Laplacian 0.5720188E+00 (-1/4)Del**2(Rho)) -0.1430047E+00 Diamond 0.1130946E+01 Metallicity 0.4899966E+01 Ellipticity 0.3868662E-01 Gb(Abramov) 0.2121228E+00 Vb(Abramov) -0.2812410E+00 Hb(Abramov) -0.6911813E-01 Ex_ueg -0.5699594E-01 Ec_ueg -0.8214603E-02 Delta_ex -0.6111672E-01 Delta_ec 0.1469089E-01 Delta_et -0.1950997E+00 Pxc 0.6938368E+01 Qxc -0.4160179E+01 3,-1 166 3 -1 1.974053 -0.844098 3.002092 Rho 0.1332162E+00 |GRAD(Rho)| 0.4248709E-13 GRAD(Rho)x -0.3391500E-13 GRAD(Rho)y -0.1911581E-13 GRAD(Rho)z -0.1701504E-13 Laplacian 0.5180071E+00 (-1/4)Del**2(Rho)) -0.1295018E+00 Diamond 0.9039591E+00 Metallicity 0.4622452E+01 Ellipticity 0.4429039E-01 Gb(Abramov) 0.1861038E+00 Vb(Abramov) -0.2427058E+00 Hb(Abramov) -0.5660204E-01 Ex_ueg -0.5024903E-01 Ec_ueg -0.7377928E-02 Delta_ex -0.5396859E-01 Delta_ec 0.1339787E-01 Delta_et -0.1749718E+00 Pxc 0.6810724E+01 Qxc -0.4028146E+01 3,-1 167 3 -1 1.874038 -0.615096 -3.003299 Rho 0.2369683E+00 |GRAD(Rho)| 0.1064279E-14 GRAD(Rho)x 0.6900947E-15 GRAD(Rho)y 0.6987683E-15 GRAD(Rho)z 0.4100995E-15 Laplacian 0.9055064E+00 (-1/4)Del**2(Rho)) -0.2263766E+00 Diamond 0.3124971E+01 Metallicity 0.6905662E+01 Ellipticity 0.1286442E-01 Gb(Abramov) 0.4114645E+00 Vb(Abramov) -0.5965523E+00 Hb(Abramov) -0.1850879E+00 Ex_ueg -0.1083025E+00 Ec_ueg -0.1422979E-01 Delta_ex -0.1088846E+00 Delta_ec 0.1979917E-01 Delta_et -0.2729139E+00 Pxc 0.7610973E+01 Qxc -0.5499453E+01 3,-1 168 3 -1 2.772394 0.565613 1.838835 Rho 0.1278227E+00 |GRAD(Rho)| 0.1095420E-11 GRAD(Rho)x 0.2027343E-12 GRAD(Rho)y 0.7635439E-12 GRAD(Rho)z -0.7588435E-12 Laplacian 0.5380454E+00 (-1/4)Del**2(Rho)) -0.1345114E+00 Diamond 0.8894081E+00 Metallicity 0.4154075E+01 Ellipticity 0.1691500E-01 Gb(Abramov) 0.1828026E+00 Vb(Abramov) -0.2310939E+00 Hb(Abramov) -0.4829125E-01 Ex_ueg -0.4755496E-01 Ec_ueg -0.7039354E-02 Delta_ex -0.5544935E-01 Delta_ec 0.1396621E-01 Delta_et -0.1810318E+00 Pxc 0.6755585E+01 Qxc -0.3970251E+01 3,-1 169 3 -1 3.151534 -3.250467 -0.085513 Rho 0.2349343E+00 |GRAD(Rho)| 0.1864124E-10 GRAD(Rho)x 0.1434447E-10 GRAD(Rho)y -0.1177305E-10 GRAD(Rho)z -0.1768426E-11 Laplacian 0.8694964E+00 (-1/4)Del**2(Rho)) -0.2173741E+00 Diamond 0.2987930E+01 Metallicity 0.7089071E+01 Ellipticity 0.1474875E-01 Gb(Abramov) 0.4017462E+00 Vb(Abramov) -0.5861182E+00 Hb(Abramov) -0.1843721E+00 Ex_ueg -0.1070648E+00 Ec_ueg -0.1408964E-01 Delta_ex -0.1044190E+00 Delta_ec 0.1923842E-01 Delta_et -0.2658861E+00 Pxc 0.7598836E+01 Qxc -0.5427629E+01 3,-1 170 3 -1 2.783105 1.829086 0.576554 Rho 0.1405547E+00 |GRAD(Rho)| 0.3096682E-14 GRAD(Rho)x -0.2151294E-15 GRAD(Rho)y 0.1979469E-14 GRAD(Rho)z -0.2371679E-14 Laplacian 0.5883976E+00 (-1/4)Del**2(Rho)) -0.1470994E+00 Diamond 0.1104415E+01 Metallicity 0.4449912E+01 Ellipticity 0.1239768E-01 Gb(Abramov) 0.2071628E+00 Vb(Abramov) -0.2672263E+00 Hb(Abramov) -0.6006343E-01 Ex_ueg -0.5397331E-01 Ec_ueg -0.7841650E-02 Delta_ex -0.6220822E-01 Delta_ec 0.1520156E-01 Delta_et -0.2005349E+00 Pxc 0.6882902E+01 Qxc -0.4092225E+01 3,-1 171 3 -1 3.039325 2.006060 -0.841025 Rho 0.1857175E+00 |GRAD(Rho)| 0.2016065E-15 GRAD(Rho)x -0.4981909E-16 GRAD(Rho)y -0.3358316E-16 GRAD(Rho)z -0.1924459E-15 Laplacian 0.7210649E+00 (-1/4)Del**2(Rho)) -0.1802662E+00 Diamond 0.1881591E+01 Metallicity 0.5777327E+01 Ellipticity 0.4800950E-01 Gb(Abramov) 0.2937536E+00 Vb(Abramov) -0.4072411E+00 Hb(Abramov) -0.1134874E+00 Ex_ueg -0.7825683E-01 Ec_ueg -0.1076796E-01 Delta_ex -0.8161787E-01 Delta_ec 0.1722524E-01 Delta_et -0.2349430E+00 Pxc 0.7267564E+01 Qxc -0.4738272E+01 3,-1 172 3 -1 2.995328 -0.856186 2.012163 Rho 0.1723131E+00 |GRAD(Rho)| 0.6028048E-11 GRAD(Rho)x 0.2576782E-11 GRAD(Rho)y -0.4341389E-11 GRAD(Rho)z -0.3293918E-11 Laplacian 0.6665569E+00 (-1/4)Del**2(Rho)) -0.1666392E+00 Diamond 0.1575494E+01 Metallicity 0.5516195E+01 Ellipticity 0.6632227E-01 Gb(Abramov) 0.2642952E+00 Vb(Abramov) -0.3619512E+00 Hb(Abramov) -0.9765601E-01 Ex_ueg -0.7081784E-01 Ec_ueg -0.9886858E-02 Delta_ex -0.7392102E-01 Delta_ec 0.1603057E-01 Delta_et -0.2163472E+00 Pxc 0.7162826E+01 Qxc -0.4611254E+01 3,-1 173 3 -1 2.734368 -0.637586 -1.828099 Rho 0.1383348E+00 |GRAD(Rho)| 0.4128435E-15 GRAD(Rho)x -0.2278180E-16 GRAD(Rho)y 0.2686382E-15 GRAD(Rho)z -0.3126568E-15 Laplacian 0.5689109E+00 (-1/4)Del**2(Rho)) -0.1422277E+00 Diamond 0.1051754E+01 Metallicity 0.4481823E+01 Ellipticity 0.6517064E-02 Gb(Abramov) 0.2010584E+00 Vb(Abramov) -0.2598890E+00 Hb(Abramov) -0.5883066E-01 Ex_ueg -0.5283970E-01 Ec_ueg -0.7701007E-02 Delta_ex -0.5996144E-01 Delta_ec 0.1483722E-01 Delta_et -0.1954239E+00 Pxc 0.6861400E+01 Qxc -0.4041286E+01 3,-1 174 3 -1 3.252871 -0.088712 -3.193274 Rho 0.2332771E+00 |GRAD(Rho)| 0.2433307E-15 GRAD(Rho)x 0.1967827E-15 GRAD(Rho)y -0.1434535E-16 GRAD(Rho)z 0.1424100E-15 Laplacian 0.8582923E+00 (-1/4)Del**2(Rho)) -0.2145731E+00 Diamond 0.2932224E+01 Metallicity 0.7097383E+01 Ellipticity 0.1871152E-01 Gb(Abramov) 0.3968666E+00 Vb(Abramov) -0.5791601E+00 Hb(Abramov) -0.1822935E+00 Ex_ueg -0.1060591E+00 Ec_ueg -0.1397562E-01 Delta_ex -0.1029267E+00 Delta_ec 0.1910717E-01 Delta_et -0.2643300E+00 Pxc 0.7588866E+01 Qxc -0.5386809E+01 3,-1 175 3 -1 3.200704 0.039298 3.211599 Rho 0.2300292E+00 |GRAD(Rho)| 0.3951653E-14 GRAD(Rho)x 0.3461641E-14 GRAD(Rho)y -0.1484734E-14 GRAD(Rho)z 0.1195062E-14 Laplacian 0.8190020E+00 (-1/4)Del**2(Rho)) -0.2047505E+00 Diamond 0.2771152E+01 Metallicity 0.7266077E+01 Ellipticity 0.3951571E-02 Gb(Abramov) 0.3844558E+00 Vb(Abramov) -0.5641611E+00 Hb(Abramov) -0.1797053E+00 Ex_ueg -0.1040948E+00 Ec_ueg -0.1375259E-01 Delta_ex -0.9796986E-01 Delta_ec 0.1850801E-01 Delta_et -0.2567267E+00 Pxc 0.7569108E+01 Qxc -0.5293376E+01 3,-1 176 3 -1 3.227589 3.215966 0.054453 Rho 0.2401743E+00 |GRAD(Rho)| 0.2696587E-15 GRAD(Rho)x -0.5719166E-16 GRAD(Rho)y -0.2563054E-15 GRAD(Rho)z 0.6125742E-16 Laplacian 0.8724581E+00 (-1/4)Del**2(Rho)) -0.2181145E+00 Diamond 0.3090053E+01 Metallicity 0.7329584E+01 Ellipticity 0.3285999E-02 Gb(Abramov) 0.4118578E+00 Vb(Abramov) -0.6056011E+00 Hb(Abramov) -0.1937433E+00 Ex_ueg -0.1102606E+00 Ec_ueg -0.1445116E-01 Delta_ex -0.1054398E+00 Delta_ec 0.1928553E-01 Delta_et -0.2672170E+00 Pxc 0.7629878E+01 Qxc -0.5467302E+01 3,-1 177 3 +1 -1.055651 2.129289 1.390596 Rho 0.2733933E-01 |GRAD(Rho)| 0.1403429E-15 GRAD(Rho)x 0.5712906E-16 GRAD(Rho)y 0.9303380E-16 GRAD(Rho)z 0.8818792E-16 Laplacian 0.1093369E+00 (-1/4)Del**2(Rho)) -0.2733422E-01 Diamond 0.1612384E-01 Metallicity 0.1563723E+01 Ellipticity -0.3764170E+01 Gb(Abramov) 0.2534667E-01 Vb(Abramov) -0.2335912E-01 Hb(Abramov) 0.1987550E-02 Ex_ueg -0.6082782E-02 Ec_ueg -0.1207202E-02 Delta_ex -0.6960163E-02 Delta_ec 0.1846613E-02 Delta_et -0.1665972E-01 Pxc 0.5038744E+01 Qxc -0.3769151E+01 3,+1 178 3 -1 -3.312418 -3.129994 0.100486 Rho 0.2310306E+00 |GRAD(Rho)| 0.4733765E-10 GRAD(Rho)x -0.3456313E-10 GRAD(Rho)y -0.3060358E-10 GRAD(Rho)z 0.1047203E-10 Laplacian 0.8487469E+00 (-1/4)Del**2(Rho)) -0.2121867E+00 Diamond 0.2868629E+01 Metallicity 0.7062375E+01 Ellipticity 0.9767023E-03 Gb(Abramov) 0.3912149E+00 Vb(Abramov) -0.5702430E+00 Hb(Abramov) -0.1790281E+00 Ex_ueg -0.1046994E+00 Ec_ueg -0.1382129E-01 Delta_ex -0.1015405E+00 Delta_ec 0.1897397E-01 Delta_et -0.2624879E+00 Pxc 0.7575231E+01 Qxc -0.5351568E+01 3,-1 179 3 -1 -1.866005 -2.767583 0.589924 Rho 0.1064217E+00 |GRAD(Rho)| 0.6664927E-16 GRAD(Rho)x -0.9025983E-17 GRAD(Rho)y -0.4834017E-16 GRAD(Rho)z 0.4498761E-16 Laplacian 0.4329608E+00 (-1/4)Del**2(Rho)) -0.1082402E+00 Diamond 0.5749200E+00 Metallicity 0.3803774E+01 Ellipticity 0.1824265E-01 Gb(Abramov) 0.1407803E+00 Vb(Abramov) -0.1733205E+00 Hb(Abramov) -0.3254014E-01 Ex_ueg -0.3724704E-01 Ec_ueg -0.5715669E-02 Delta_ex -0.4272473E-01 Delta_ec 0.1175164E-01 Delta_et -0.1475476E+00 Pxc 0.6516655E+01 Qxc -0.3635640E+01 3,-1 180 3 -1 -0.558365 -0.537348 -0.561106 Rho 0.1898185E+00 |GRAD(Rho)| 0.1589900E-15 GRAD(Rho)x -0.1318390E-15 GRAD(Rho)y -0.5551115E-16 GRAD(Rho)z -0.6938894E-16 Laplacian 0.5131606E+00 (-1/4)Del**2(Rho)) -0.1282902E+00 Diamond 0.1386349E+01 Metallicity 0.8418938E+01 Ellipticity 0.2497612E-01 Gb(Abramov) 0.2655379E+00 Vb(Abramov) -0.4027857E+00 Hb(Abramov) -0.1372478E+00 Ex_ueg -0.8056932E-01 Ec_ueg -0.1103957E-01 Delta_ex -0.5849223E-01 Delta_ec 0.1233895E-01 Delta_et -0.1691348E+00 Pxc 0.7298228E+01 Qxc -0.4740456E+01 3,-1 181 3 -1 -0.543817 2.757839 -1.792790 Rho 0.1248838E+00 |GRAD(Rho)| 0.8266062E-14 GRAD(Rho)x 0.5111478E-14 GRAD(Rho)y -0.9031201E-15 GRAD(Rho)z -0.6433114E-14 Laplacian 0.5188396E+00 (-1/4)Del**2(Rho)) -0.1297099E+00 Diamond 0.8296071E+00 Metallicity 0.4144034E+01 Ellipticity 0.8427166E-02 Gb(Abramov) 0.1760603E+00 Vb(Abramov) -0.2224107E+00 Hb(Abramov) -0.4635041E-01 Ex_ueg -0.4610270E-01 Ec_ueg -0.6855678E-02 Delta_ex -0.5311507E-01 Delta_ec 0.1344255E-01 Delta_et -0.1734052E+00 Pxc 0.6724746E+01 Qxc -0.3951265E+01 3,-1 182 3 -1 0.814256 -1.968949 3.005199 Rho 0.1345547E+00 |GRAD(Rho)| 0.1059173E-15 GRAD(Rho)x -0.1043545E-16 GRAD(Rho)y 0.9446111E-17 GRAD(Rho)z 0.1049779E-15 Laplacian 0.5289997E+00 (-1/4)Del**2(Rho)) -0.1322499E+00 Diamond 0.9427987E+00 Metallicity 0.4602450E+01 Ellipticity 0.3418392E-01 Gb(Abramov) 0.1896122E+00 Vb(Abramov) -0.2469745E+00 Hb(Abramov) -0.5736230E-01 Ex_ueg -0.5092333E-01 Ec_ueg -0.7462248E-02 Delta_ex -0.5534557E-01 Delta_ec 0.1382393E-01 Delta_et -0.1811637E+00 Pxc 0.6824127E+01 Qxc -0.4003605E+01 3,-1 183 3 -1 2.698853 -1.866704 -0.602376 Rho 0.1403018E+00 |GRAD(Rho)| 0.2741357E-15 GRAD(Rho)x 0.4865357E-17 GRAD(Rho)y 0.2592734E-15 GRAD(Rho)z -0.8890458E-16 Laplacian 0.5784422E+00 (-1/4)Del**2(Rho)) -0.1446106E+00 Diamond 0.1084429E+01 Metallicity 0.4512929E+01 Ellipticity 0.5189338E-02 Gb(Abramov) 0.2051766E+00 Vb(Abramov) -0.2657426E+00 Hb(Abramov) -0.6056601E-01 Ex_ueg -0.5384384E-01 Ec_ueg -0.7825609E-02 Delta_ex -0.6114027E-01 Delta_ec 0.1497127E-01 Delta_et -0.1974858E+00 Pxc 0.6880466E+01 Qxc -0.4083840E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 115 113 127 182 138 137 144 180 124 126 139 130 181 140 141 133 68 135 143 109 120 134 162 183 159 147 160 169 158 170 164 171 165 176 84 78 98 100 99 85 62 82 179 81 92 178 56 76 74 61 86 73 72 67 91 71 94 70 154 168 155 172 166 175 156 173 167 152 157 174 131 69 146 114 128 110 107 105 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 28 36 24 27 52 52 2.371176 1.951120 1.888726 1.967382 1.930450 1.742039 1.715170 1.689413 1.714088 1.717770 2.391930 1.922227 1.962872 1.924915 1.982721 1.730674 2.444553 1.892762 1.882397 2.047287 1.947863 1.735214 2.364033 1.939214 1.767751 2.172468 1.989657 1.751545 2.470116 1.937665 2.015328 1.841795 1.933787 1.743320 2.379670 1.834248 1.929540 1.987122 1.993970 1.748231 2.378628 1.913683 2.029060 1.923122 1.943965 1.730495 2.313603 2.159801 1.970067 1.992594 1.755204 1.755587 2.393413 1.987774 1.927849 1.929487 1.888412 1.741671 2.509909 1.950780 2.022510 1.845676 1.947438 1.733135 2.395528 1.944414 1.748550 2.184241 2.002835 1.754424 3.195495 3.182724 3.127311 3.245601 3.230514 3.222941 1.820202 1.000861 2.372909 1.951487 1.889334 1.968000 1.931080 1.742047 1.715188 1.689476 1.714102 1.717781 2.393681 1.922773 1.963524 1.925707 1.983557 1.730695 2.446321 1.893357 1.882863 2.048026 1.948641 1.735228 2.365650 1.939643 1.767817 2.173051 1.990251 1.751562 2.471785 1.938135 2.015760 1.842152 1.934378 1.743332 2.381150 1.834532 1.929956 1.987686 1.994569 1.748246 2.380854 1.914412 2.029617 1.923931 1.945458 1.730523 2.315904 2.160179 1.970491 1.993215 1.755221 1.755609 2.395240 1.988255 1.928345 1.930105 1.888899 1.741679 2.511324 1.951335 2.023200 1.846208 1.948183 1.733154 2.397315 1.944799 1.748579 2.184815 2.003449 1.754450 3.204899 3.191826 3.152680 3.248585 3.236454 3.227030 1.823055 1.000988 30 26 27 25 27 23 23 22 22 22 30 27 24 26 28 23 31 30 28 28 28 25 29 25 23 29 26 24 33 25 26 23 26 23 30 24 27 26 28 24 30 28 24 26 28 21 30 28 27 25 23 24 30 27 28 29 28 24 30 24 28 22 26 22 29 25 22 29 26 23 35 35 33 35 35 35 27 23 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 As Mo Mo W W W Mo W W Mo 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 2.4557 2.4511 2.3215 2.3337 2.3812 2.4315 2.4498 2.3136 2.3778 2.4514 2.3085 2.3388 -1.1239 -1.0282 -1.1194 -1.1164 -0.9200 -0.9917 -0.9330 -0.9390 -0.7598 -0.9062 -0.9401 -0.9587 -0.9325 -0.9349 -0.9186 -0.8268 -0.8925 -0.9419 -0.9447 -0.9717 -0.9375 -0.9339 -0.9380 -0.7923 -0.7602 -0.9444 -0.9795 -0.9366 -0.7997 -0.8327 -0.7177 -0.7384 -0.8257 -0.8062 -0.8189 -0.7149 -0.8263 -0.8007 -0.7323 0.3212 2.0906 0.8308 1.9645 1.9579 2.1229 2.0975 2.0920 1.9895 2.1271 2.0918 1.9663 2.1322 1.9361 1.9496 1.9382 1.9344 1.9371 1.9304 1.9409 1.9345 1.9679 1.9404 1.9352 1.9317 1.9349 1.9345 1.9396 1.9647 1.9530 1.9440 1.9478 1.9428 1.9432 1.9446 1.9440 1.9594 1.8790 1.9439 1.9419 1.9423 1.9639 1.9588 1.9758 1.9732 1.9599 1.9629 1.9609 1.9755 1.9577 1.9639 1.9742 0.5352 6.0954 1.1678 6.0768 6.0657 6.1093 6.0965 6.0920 6.0767 6.0990 6.0957 6.0762 6.1175 5.1507 5.0411 5.1442 5.1450 4.9558 5.0322 4.9621 4.9772 4.7560 4.9406 4.9778 4.9971 4.9699 4.9719 4.9512 4.8286 4.9114 4.9685 4.9663 4.9972 4.9653 4.9602 4.9639 4.7998 4.8526 4.9730 5.0059 4.9648 4.8008 4.8409 4.7088 4.7329 4.8324 4.8085 4.8240 4.7063 4.8357 4.8018 4.7252 0.1436 3.3288 10.5502 3.6372 3.6427 3.3582 3.3454 3.3366 3.6202 3.3676 3.3317 3.6491 3.3833 0.0372 0.0376 0.0370 0.0371 0.0271 0.0292 0.0301 0.0272 0.0359 0.0253 0.0270 0.0300 0.0277 0.0285 0.0278 0.0334 0.0281 0.0293 0.0305 0.0316 0.0291 0.0292 0.0301 0.0332 0.0286 0.0275 0.0316 0.0294 0.0350 0.0330 0.0331 0.0323 0.0334 0.0348 0.0339 0.0330 0.0329 0.0350 0.0328 0.0000 14.0295 0.0000 0.0000 0.0000 14.0285 14.0291 14.0296 0.0000 14.0285 14.0294 0.0000 14.0282 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 As Mo Mo W W W Mo W W Mo 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 2.510019 2.313283 3.172909 3.172055 2.476158 2.499568 2.497428 3.181138 2.493439 2.507882 3.166921 2.465382 -1.122522 -1.071852 -1.131245 -1.130646 -1.085403 -0.983228 -0.957508 -1.082173 -0.824189 -1.189866 -1.085353 -0.965292 -1.079845 -1.055541 -1.092165 -0.802370 -1.076667 -1.067089 -0.946686 -0.954762 -1.068185 -1.067741 -1.040656 -0.840572 -0.719673 -1.077369 -0.957034 -1.057532 -0.835533 -0.879176 -0.989550 -1.012058 -0.869974 -0.843806 -0.860139 -0.984405 -0.871248 -0.836197 -1.005109 0.064177 1.939863 1.710310 2.360983 2.363707 1.918689 1.949160 1.931181 2.351938 1.950336 1.943517 2.362145 1.929228 -0.781917 -0.762917 -0.792752 -0.796557 -0.820683 -0.725076 -0.738341 -0.821438 -0.712891 -0.932330 -0.817602 -0.722585 -0.825349 -0.811882 -0.839647 -0.664086 -0.885006 -0.855435 -0.797490 -0.786638 -0.866641 -0.868701 -0.866645 -0.741185 -0.865356 -0.882466 -0.784001 -0.863691 -0.733787 -0.784445 -0.770841 -0.792154 -0.773809 -0.737272 -0.758107 -0.749715 -0.778770 -0.731829 -0.783247 0.312226 2.043645 1.678018 2.453953 2.451454 2.004073 2.048534 2.030845 2.493242 2.038535 2.044596 2.452302 2.011170 -0.825136 -0.821477 -0.837130 -0.837820 -0.910614 -0.810272 -0.805133 -0.919184 -0.724041 -1.004006 -0.913659 -0.799984 -0.900988 -0.933861 -0.912545 -0.742103 -0.906370 -0.900826 -0.821678 -0.825408 -0.898937 -0.914453 -0.893978 -0.728153 -0.917453 -0.924364 -0.832036 -0.893348 -0.694511 -0.755141 -0.733328 -0.754486 -0.737832 -0.703202 -0.722011 -0.736267 -0.759670 -0.696957 -0.749398 0.447391 -0.09224787 -0.65034610 2.44974475 2.53627859 -18.15974295 8.05247396 0.15447951 14.72244576 6.63064186 3.43729719 -359.8643 407.7849 -75.1940 -378.2903 -42.7374 -448.3011 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:29:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:25 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.88017296 -16.28922960 -16.14658772 -16.20342826 -16.36034227 -16.40462095 -16.44375565 -16.44827816 -16.45232318 -16.45640467 -16.46274482 -16.46692541 -16.46590197 -16.46978066 -16.47293938 -16.47362461 -16.47422259 -16.47436476 -16.47446355 -16.47454464 -16.47461030 -16.47467236 -16.47470977 -16.47473226 -16.47474046 -16.47475435 -16.47476086 GEOMETRY CONVERGED