ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.02 1.59 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 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.72 0.05 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:47 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 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 02:24:47 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 02:24:47 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:49 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) 1.32 0.04 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 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 02:24:47 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr01-2024 02:24:49 Nodes: 1 Procs: 1 Apr01-2024 02:24:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 02:24:52 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2501.3903610000034 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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 Apr01-2024 02:24:50 1 1 Tungsten TZP 4d t21.P ADF 2019 Apr01-2024 02:24:48 1 1 Phosphorus TZP 1s t21.Mo ADF 2019 Apr01-2024 02:24:46 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr01-2024 02:24:48 1 1 Oxygen TZP 1s t21.H ADF 2019 Apr01-2024 02:24:44 1 1 Hydrogen TZP 1 1 -16.10449160 0.30916166 0.00100000 F 0.10523010 0.00066667 F 0.30916166 0.10523010 0.23209606 0.01000000 F 0.06178149 0.00666667 F Cartesian 2501.3903610000034 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258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 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 -6.642 -6.592 -6.560 -6.538 -6.515 -6.490 -6.457 -6.244 -6.213 -6.193 -3.770 -3.680 -3.123 -3.040 -2.946 -2.898 -2.872 -2.761 -2.715 -2.415 A A A A A A A A A A A A A A A A A A A A 0.00000000068045 0.00044904543687 0.00031710103477 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 74 74 74 74 74 74 74 74 74 15 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 1 0.069801 -2.539130 2.559162 0.081644 2.482340 -2.515259 -0.114073 2.540000 2.549385 2.425854 -2.606668 -0.004836 -2.565923 2.484768 0.074055 -2.599459 -2.522302 -0.093761 -2.506054 -0.256548 -2.667213 2.551504 -0.136755 2.522529 2.606756 0.087833 -2.547129 -0.083171 -0.032416 -0.031452 2.556539 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3.780059 0.217300 -3.759139 3.722244 -0.199398 -3.859529 -3.662331 0.249868 -3.850480 0.288384 -3.643369 -3.764496 -0.184558 3.804793 3.748761 0.156767 3.743457 1.086731 -1.929555 -2.460965 -0.566174 -3.367920 -1.289499 1 3 -3 0.069801 -2.539130 2.559162 Rho 0.4361414E+07 3,-3 2 3 -3 0.081644 2.482340 -2.515259 Rho 0.4361414E+07 3,-3 3 3 -3 -0.114073 2.540000 2.549385 Rho 0.4361414E+07 3,-3 4 3 -3 2.425854 -2.606668 -0.004836 Rho 0.4361415E+07 3,-3 5 3 -3 -2.565923 2.484768 0.074055 Rho 0.4361414E+07 3,-3 6 3 -3 -2.599459 -2.522302 -0.093761 Rho 0.4361414E+07 3,-3 7 3 -3 -2.506054 -0.256548 -2.667213 Rho 0.4361415E+07 3,-3 8 3 -3 2.551504 -0.136755 2.522529 Rho 0.4361414E+07 3,-3 9 3 -3 2.606756 0.087833 -2.547129 Rho 0.4361415E+07 3,-3 10 3 -3 -0.083171 -0.032416 -0.031452 Rho 0.2439527E+04 3,-3 11 3 -3 2.556539 2.567478 -0.064689 Rho 0.1240650E+06 3,-3 12 3 -3 -2.566672 0.106000 2.599377 Rho 0.1240649E+06 3,-3 13 3 -3 0.829487 -0.934498 0.869645 Rho 0.3187807E+03 3,-3 14 3 -3 -1.032350 -0.901835 -0.888455 Rho 0.3187783E+03 3,-3 15 3 -3 0.845929 0.844932 -0.932360 Rho 0.3187814E+03 3,-3 16 3 -3 -0.908885 0.915666 0.908784 Rho 0.3187736E+03 3,-3 17 3 -3 -3.043106 -1.143142 1.207885 Rho 0.3189441E+03 3,-3 18 3 -3 3.054380 -1.162897 -1.149954 Rho 0.3188516E+03 3,-3 19 3 -3 -3.020557 1.165181 -1.096707 Rho 0.3190122E+03 3,-3 20 3 -3 3.036876 1.188672 1.192992 Rho 0.3189372E+03 3,-3 21 3 -3 1.347287 -1.226574 -3.132403 Rho 0.3187358E+03 3,-3 22 3 -3 1.157135 1.159391 2.981801 Rho 0.3188789E+03 3,-3 23 3 -3 -1.174714 1.142559 -3.003861 Rho 0.3188388E+03 3,-3 24 3 -3 -1.182849 -1.148212 3.083659 Rho 0.3189465E+03 3,-3 25 3 -3 -1.139577 3.033312 -1.138679 Rho 0.3188625E+03 3,-3 26 3 -3 -1.234696 -2.990066 1.254761 Rho 0.3188800E+03 3,-3 27 3 -3 1.168984 3.048262 1.173190 Rho 0.3189459E+03 3,-3 28 3 -3 1.155541 -3.056391 -1.202087 Rho 0.3191348E+03 3,-3 29 3 -3 3.330398 -1.492920 1.493329 Rho 0.3189912E+03 3,-3 30 3 -3 -3.440813 -1.548704 -1.501021 Rho 0.3189240E+03 3,-3 31 3 -3 3.394877 1.497220 -1.449668 Rho 0.3190196E+03 3,-3 32 3 -3 -3.393626 1.527936 1.573316 Rho 0.3190171E+03 3,-3 33 3 -3 1.458967 -1.475441 3.406861 Rho 0.3189426E+03 3,-3 34 3 -3 1.526600 1.461772 -3.375140 Rho 0.3189515E+03 3,-3 35 3 -3 -1.489396 1.507773 3.439871 Rho 0.3190136E+03 3,-3 36 3 -3 -1.760866 -1.463440 -3.692481 Rho 0.3193086E+03 3,-3 37 3 -3 -1.541604 -3.603277 -1.275513 Rho 0.3187352E+03 3,-3 38 3 -3 -1.483723 3.378812 1.522591 Rho 0.3189740E+03 3,-3 39 3 -3 1.458032 -3.386259 1.518349 Rho 0.3189333E+03 3,-3 40 3 -3 1.506107 3.351793 -1.501514 Rho 0.3190186E+03 3,-3 41 3 -3 -0.204167 -3.738076 3.781845 Rho 0.3193398E+03 3,-3 42 3 -3 3.878014 -0.106101 -3.712258 Rho 0.3193290E+03 3,-3 43 3 -3 -0.191741 3.685762 -3.734636 Rho 0.3193420E+03 3,-3 44 3 -3 0.208437 3.739233 3.762285 Rho 0.3193324E+03 3,-3 45 3 -3 3.671653 -3.803235 -0.226286 Rho 0.3193041E+03 3,-3 46 3 -3 3.748443 3.780059 0.217300 Rho 0.3194811E+03 3,-3 47 3 -3 -3.759139 3.722244 -0.199398 Rho 0.3193120E+03 3,-3 48 3 -3 -3.859529 -3.662331 0.249868 Rho 0.3193436E+03 3,-3 49 3 -3 -3.850480 0.288384 -3.643369 Rho 0.3192776E+03 3,-3 50 3 -3 -3.764496 -0.184558 3.804793 Rho 0.3194809E+03 3,-3 51 3 -3 3.748761 0.156767 3.743457 Rho 0.3193325E+03 3,-3 52 3 -3 1.086731 -1.929555 -2.460965 Rho 0.4292368E+00 3,-3 53 3 -3 -0.566174 -3.367920 -1.289499 Rho 0.4318309E+00 3,-3 54 3 +1 -1.723407 0.540454 -0.501070 Rho 0.9849843E-02 |GRAD(Rho)| 0.2494620E-14 GRAD(Rho)x -0.4817986E-15 GRAD(Rho)y -0.1575418E-14 GRAD(Rho)z -0.1873248E-14 Laplacian 0.4150808E-01 (-1/4)Del**2(Rho)) -0.1037702E-01 Diamond 0.1419154E-02 Metallicity 0.7513853E+00 Ellipticity -0.1483303E+01 Gb(Abramov) 0.8217537E-02 Vb(Abramov) -0.6058053E-02 Hb(Abramov) 0.2159483E-02 Ex_ueg -0.1559400E-02 Ec_ueg -0.3612429E-03 Delta_ex -0.1993937E-02 Delta_ec 0.6394416E-03 Delta_et -0.4482090E-02 Pxc 0.4316762E+01 Qxc -0.3118247E+01 3,+1 55 3 -1 -3.280976 -3.138902 0.091264 Rho 0.2461418E+00 |GRAD(Rho)| 0.4208458E-15 GRAD(Rho)x 0.2546791E-15 GRAD(Rho)y 0.2320193E-15 GRAD(Rho)z -0.2416958E-15 Laplacian 0.9074305E+00 (-1/4)Del**2(Rho)) -0.2268576E+00 Diamond 0.3293840E+01 Metallicity 0.7341343E+01 Ellipticity 0.1688882E-02 Gb(Abramov) 0.4288117E+00 Vb(Abramov) -0.6307658E+00 Hb(Abramov) -0.2019541E+00 Ex_ueg -0.1139285E+00 Ec_ueg -0.1486471E-01 Delta_ex -0.1102879E+00 Delta_ec 0.1976118E-01 Delta_et -0.2733266E+00 Pxc 0.7664358E+01 Qxc -0.5581040E+01 3,-1 56 3 -1 -3.028237 -1.993156 -0.846753 Rho 0.1558514E+00 |GRAD(Rho)| 0.1099918E-15 GRAD(Rho)x -0.6823697E-16 GRAD(Rho)y 0.4328677E-16 GRAD(Rho)z -0.7462021E-16 Laplacian 0.6189501E+00 (-1/4)Del**2(Rho)) -0.1547375E+00 Diamond 0.1316772E+01 Metallicity 0.5025069E+01 Ellipticity 0.6269333E-01 Gb(Abramov) 0.2327528E+00 Vb(Abramov) -0.3107681E+00 Hb(Abramov) -0.7801528E-01 Ex_ueg -0.6194401E-01 Ec_ueg -0.8819134E-02 Delta_ex -0.6713212E-01 Delta_ec 0.1561350E-01 Delta_et -0.2090725E+00 Pxc 0.7023820E+01 Qxc -0.4299620E+01 3,-1 57 3 -1 -1.778587 -1.673023 -0.475062 Rho 0.4721154E-01 |GRAD(Rho)| 0.2159824E-14 GRAD(Rho)x -0.1386827E-14 GRAD(Rho)y 0.7349561E-15 GRAD(Rho)z -0.1483708E-14 Laplacian 0.1875485E+00 (-1/4)Del**2(Rho)) -0.4688712E-01 Diamond 0.8812559E-01 Metallicity 0.2265930E+01 Ellipticity 0.1870297E-01 Gb(Abramov) 0.4896524E-01 Vb(Abramov) -0.5104336E-01 Hb(Abramov) -0.2078119E-02 Ex_ueg -0.1260229E-01 Ec_ueg -0.2261328E-02 Delta_ex -0.1522530E-01 Delta_ec 0.5606120E-02 Delta_et -0.5823604E-01 Pxc 0.5572958E+01 Qxc -0.2715835E+01 3,-1 58 3 +1 -0.644520 -1.680382 0.550046 Rho 0.8790355E-02 |GRAD(Rho)| 0.1121015E-13 GRAD(Rho)x -0.2465533E-14 GRAD(Rho)y -0.6043938E-14 GRAD(Rho)z 0.9113689E-14 Laplacian 0.3660474E-01 (-1/4)Del**2(Rho)) -0.9151184E-02 Diamond 0.1058775E-02 Metallicity 0.7048336E+00 Ellipticity -0.1434922E+01 Gb(Abramov) 0.7175800E-02 Vb(Abramov) -0.5200415E-02 Hb(Abramov) 0.1975384E-02 Ex_ueg -0.1339863E-02 Ec_ueg -0.3135051E-03 Delta_ex -0.1703217E-02 Delta_ec 0.5537732E-03 Delta_et -0.3775153E-02 Pxc 0.4273814E+01 Qxc -0.3075658E+01 3,+1 59 3 +3 0.930367 -1.140868 -1.254262 Rho 0.4213184E-02 |GRAD(Rho)| 0.3150003E-17 GRAD(Rho)x 0.2717897E-17 GRAD(Rho)y -0.1362833E-17 GRAD(Rho)z 0.8235543E-18 Laplacian 0.1737088E-01 (-1/4)Del**2(Rho)) -0.4342720E-02 Diamond 0.1364365E-03 Metallicity 0.4359888E+00 Ellipticity -0.5468303E+00 Gb(Abramov) 0.3210710E-02 Vb(Abramov) -0.2078699E-02 Hb(Abramov) 0.1132011E-02 Ex_ueg -0.5025728E-03 Ec_ueg -0.1132116E-03 Delta_ex -0.6196462E-03 Delta_ec 0.1607858E-03 Delta_et -0.9878959E-03 Pxc 0.4439232E+01 Qxc -0.3853861E+01 3,+3 60 3 +3 -2.396086 0.024901 0.080192 Rho 0.4795996E-02 |GRAD(Rho)| 0.6821160E-17 GRAD(Rho)x 0.1688345E-17 GRAD(Rho)y 0.3972121E-17 GRAD(Rho)z -0.5282042E-17 Laplacian 0.2005828E-01 (-1/4)Del**2(Rho)) -0.5014571E-02 Diamond 0.2017926E-03 Metallicity 0.4685804E+00 Ellipticity -0.3724169E+00 Gb(Abramov) 0.3734669E-02 Vb(Abramov) -0.2454767E-02 Hb(Abramov) 0.1279902E-02 Ex_ueg -0.5973426E-03 Ec_ueg -0.1381443E-03 Delta_ex -0.7532489E-03 Delta_ec 0.2101350E-03 Delta_et -0.1298168E-02 Pxc 0.4324049E+01 Qxc -0.3584595E+01 3,+3 61 3 +1 -2.121452 1.062863 1.355283 Rho 0.2420998E-01 |GRAD(Rho)| 0.1640231E-14 GRAD(Rho)x -0.9549820E-15 GRAD(Rho)y -0.6114544E-15 GRAD(Rho)z 0.1185112E-14 Laplacian 0.9479780E-01 (-1/4)Del**2(Rho)) -0.2369945E-01 Diamond 0.1204587E-01 Metallicity 0.1472783E+01 Ellipticity -0.3756447E+01 Gb(Abramov) 0.2161699E-01 Vb(Abramov) -0.1953453E-01 Hb(Abramov) 0.2082458E-02 Ex_ueg -0.5172624E-02 Ec_ueg -0.1049020E-02 Delta_ex -0.5866405E-02 Delta_ec 0.1645773E-02 Delta_et -0.1440416E-01 Pxc 0.4930908E+01 Qxc -0.3564530E+01 3,+1 62 3 -1 -2.795589 1.771674 -0.554899 Rho 0.1913684E+00 |GRAD(Rho)| 0.1497668E-13 GRAD(Rho)x 0.7799642E-14 GRAD(Rho)y -0.1274707E-13 GRAD(Rho)z -0.9892261E-15 Laplacian 0.7856193E+00 (-1/4)Del**2(Rho)) -0.1964048E+00 Diamond 0.2100258E+01 Metallicity 0.5574226E+01 Ellipticity 0.1966440E-01 Gb(Abramov) 0.3134040E+00 Vb(Abramov) -0.4304032E+00 Hb(Abramov) -0.1169992E+00 Ex_ueg -0.8144765E-01 Ec_ueg -0.1114247E-01 Delta_ex -0.8942325E-01 Delta_ec 0.1829650E-01 Delta_et -0.2492122E+00 Pxc 0.7309657E+01 Qxc -0.4887451E+01 3,-1 63 3 +3 -1.845409 1.825046 1.877042 Rho 0.1216528E-01 |GRAD(Rho)| 0.2485789E-13 GRAD(Rho)x 0.1385918E-13 GRAD(Rho)y -0.1395415E-13 GRAD(Rho)z -0.1520262E-13 Laplacian 0.5539548E-01 (-1/4)Del**2(Rho)) -0.1384887E-01 Diamond 0.1198963E-02 Metallicity 0.8004655E+00 Ellipticity -0.6429044E+00 Gb(Abramov) 0.1108017E-01 Vb(Abramov) -0.8311471E-02 Hb(Abramov) 0.2768700E-02 Ex_ueg -0.2066402E-02 Ec_ueg -0.4672045E-03 Delta_ex -0.2431212E-02 Delta_ec 0.1806081E-03 Delta_et -0.1769522E-02 Pxc 0.4422906E+01 Qxc -0.1346125E+02 3,+3 64 3 -1 -1.710113 0.502697 1.722298 Rho 0.3502962E-01 |GRAD(Rho)| 0.5743639E-14 GRAD(Rho)x -0.3453089E-16 GRAD(Rho)y 0.4119482E-14 GRAD(Rho)z -0.4002257E-14 Laplacian 0.1424049E+00 (-1/4)Del**2(Rho)) -0.3560122E-01 Diamond 0.4524944E-01 Metallicity 0.1814738E+01 Ellipticity 0.1151225E-01 Gb(Abramov) 0.3450197E-01 Vb(Abramov) -0.3340271E-01 Hb(Abramov) 0.1099256E-02 Ex_ueg -0.8465105E-02 Ec_ueg -0.1605841E-02 Delta_ex -0.1078160E-01 Delta_ec 0.4345846E-02 Delta_et -0.4166335E-01 Pxc 0.5271446E+01 Qxc -0.2480897E+01 3,-1 65 3 +1 -2.010798 2.006789 2.052284 Rho 0.1251157E-01 |GRAD(Rho)| 0.1137536E-16 GRAD(Rho)x -0.4790663E-17 GRAD(Rho)y 0.5073034E-17 GRAD(Rho)z -0.8984021E-17 Laplacian 0.5889477E-01 (-1/4)Del**2(Rho)) -0.1472369E-01 Diamond 0.2085622E-02 Metallicity 0.7889623E+00 Ellipticity -0.1172100E+01 Gb(Abramov) 0.1175187E-01 Vb(Abramov) -0.8780044E-02 Hb(Abramov) 0.2971825E-02 Ex_ueg -0.2145199E-02 Ec_ueg -0.4832362E-03 Delta_ex -0.2814050E-02 Delta_ec 0.5627105E-03 Delta_et -0.4414108E-02 Pxc 0.4439235E+01 Qxc -0.5000885E+01 3,+1 66 3 -1 -2.987173 1.967925 0.871412 Rho 0.1362549E+00 |GRAD(Rho)| 0.1354305E-12 GRAD(Rho)x 0.5211187E-13 GRAD(Rho)y 0.6573381E-13 GRAD(Rho)z -0.1063242E-12 Laplacian 0.5345207E+00 (-1/4)Del**2(Rho)) -0.1336302E+00 Diamond 0.9751583E+00 Metallicity 0.4651244E+01 Ellipticity 0.2691707E-01 Gb(Abramov) 0.1926779E+00 Vb(Abramov) -0.2517256E+00 Hb(Abramov) -0.5904769E-01 Ex_ueg -0.5178311E-01 Ec_ueg -0.7569526E-02 Delta_ex -0.5618463E-01 Delta_ec 0.1408851E-01 Delta_et -0.1853188E+00 Pxc 0.6840997E+01 Qxc -0.3987976E+01 3,-1 67 3 +1 1.208949 -1.119347 2.101034 Rho 0.2388783E-01 |GRAD(Rho)| 0.2113883E-13 GRAD(Rho)x -0.8266688E-14 GRAD(Rho)y 0.1026984E-13 GRAD(Rho)z 0.1652400E-13 Laplacian 0.9302826E-01 (-1/4)Del**2(Rho)) -0.2325707E-01 Diamond 0.1187091E-01 Metallicity 0.1467662E+01 Ellipticity -0.4353433E+01 Gb(Abramov) 0.2119363E-01 Vb(Abramov) -0.1913019E-01 Hb(Abramov) 0.2063438E-02 Ex_ueg -0.5081055E-02 Ec_ueg -0.1032883E-02 Delta_ex -0.5767128E-02 Delta_ec 0.1669799E-02 Delta_et -0.1455189E-01 Pxc 0.4919296E+01 Qxc -0.3453786E+01 3,+1 68 3 +1 -0.618419 0.492680 -1.679658 Rho 0.9207511E-02 |GRAD(Rho)| 0.2430164E-14 GRAD(Rho)x 0.2099762E-14 GRAD(Rho)y 0.8591921E-15 GRAD(Rho)z 0.8709115E-15 Laplacian 0.3928029E-01 (-1/4)Del**2(Rho)) -0.9820072E-02 Diamond 0.1236881E-02 Metallicity 0.7095923E+00 Ellipticity -0.1450847E+01 Gb(Abramov) 0.7708089E-02 Vb(Abramov) -0.5596106E-02 Hb(Abramov) 0.2111983E-02 Ex_ueg -0.1425306E-02 Ec_ueg -0.3322431E-03 Delta_ex -0.1860060E-02 Delta_ec 0.6138156E-03 Delta_et -0.4220982E-02 Pxc 0.4289948E+01 Qxc -0.3030324E+01 3,+1 69 3 +3 -1.148170 1.100131 -1.128504 Rho 0.5247121E-02 |GRAD(Rho)| 0.7021583E-17 GRAD(Rho)x -0.5697633E-17 GRAD(Rho)y 0.1128245E-17 GRAD(Rho)z 0.3945463E-17 Laplacian 0.2165793E-01 (-1/4)Del**2(Rho)) -0.5414482E-02 Diamond 0.1681086E-03 Metallicity 0.5041171E+00 Ellipticity -0.2513750E+00 Gb(Abramov) 0.4064577E-02 Vb(Abramov) -0.2714672E-02 Hb(Abramov) 0.1349905E-02 Ex_ueg -0.6734105E-03 Ec_ueg -0.1575629E-03 Delta_ex -0.7640544E-03 Delta_ec 0.1055505E-03 Delta_et -0.8133361E-03 Pxc 0.4273915E+01 Qxc -0.7238753E+01 3,+3 70 3 +1 -1.738517 -0.491916 0.601467 Rho 0.9026164E-02 |GRAD(Rho)| 0.1744369E-17 GRAD(Rho)x -0.1047250E-17 GRAD(Rho)y -0.4728429E-18 GRAD(Rho)z -0.1312444E-17 Laplacian 0.3780118E-01 (-1/4)Del**2(Rho)) -0.9450294E-02 Diamond 0.1161566E-02 Metallicity 0.7133126E+00 Ellipticity -0.1466839E+01 Gb(Abramov) 0.7423698E-02 Vb(Abramov) -0.5397103E-02 Hb(Abramov) 0.2026596E-02 Ex_ueg -0.1388000E-02 Ec_ueg -0.3240880E-03 Delta_ex -0.1782445E-02 Delta_ec 0.5930208E-03 Delta_et -0.4055036E-02 Pxc 0.4282787E+01 Qxc -0.3005705E+01 3,+1 71 3 -1 -2.764063 0.488755 -1.835620 Rho 0.7718260E-01 |GRAD(Rho)| 0.1407553E-15 GRAD(Rho)x -0.3214575E-16 GRAD(Rho)y 0.2109790E-16 GRAD(Rho)z 0.1354016E-15 Laplacian 0.3247788E+00 (-1/4)Del**2(Rho)) -0.8119470E-01 Diamond 0.2957873E+00 Metallicity 0.2968642E+01 Ellipticity 0.1000348E-01 Gb(Abramov) 0.9430280E-01 Vb(Abramov) -0.1074109E+00 Hb(Abramov) -0.1310810E-01 Ex_ueg -0.2427044E-01 Ec_ueg -0.3965037E-02 Delta_ex -0.2984109E-01 Delta_ec 0.9588711E-02 Delta_et -0.1127224E+00 Pxc 0.6121113E+01 Qxc -0.3112106E+01 3,-1 72 3 -1 -1.796576 0.485525 -2.829362 Rho 0.1319390E+00 |GRAD(Rho)| 0.1644584E-14 GRAD(Rho)x -0.1083213E-14 GRAD(Rho)y -0.1234554E-14 GRAD(Rho)z 0.8475412E-16 Laplacian 0.5516608E+00 (-1/4)Del**2(Rho)) -0.1379152E+00 Diamond 0.9733630E+00 Metallicity 0.4271328E+01 Ellipticity 0.1485464E-01 Gb(Abramov) 0.1901236E+00 Vb(Abramov) -0.2423321E+00 Hb(Abramov) -0.5220845E-01 Ex_ueg -0.4960772E-01 Ec_ueg -0.7297578E-02 Delta_ex -0.5759795E-01 Delta_ec 0.1476057E-01 Delta_et -0.1933602E+00 Pxc 0.6797833E+01 Qxc -0.3902149E+01 3,-1 73 3 +1 -0.113402 0.101528 2.944225 Rho 0.5165271E-02 |GRAD(Rho)| 0.2462477E-16 GRAD(Rho)x -0.1776657E-16 GRAD(Rho)y 0.1694718E-16 GRAD(Rho)z 0.1876560E-17 Laplacian 0.2127700E-01 (-1/4)Del**2(Rho)) -0.5319251E-02 Diamond 0.5482714E-03 Metallicity 0.4998709E+00 Ellipticity -0.4979877E+01 Gb(Abramov) 0.3989324E-02 Vb(Abramov) -0.2659397E-02 Hb(Abramov) 0.1329927E-02 Ex_ueg -0.6594409E-03 Ec_ueg -0.1540320E-03 Delta_ex -0.1091146E-02 Delta_ec 0.7174887E-03 Delta_et -0.3915664E-02 Pxc 0.4281194E+01 Qxc -0.1520784E+01 3,+1 74 3 +3 -0.022627 -0.015679 2.333304 Rho 0.4392365E-02 |GRAD(Rho)| 0.2863246E-17 GRAD(Rho)x 0.2699959E-17 GRAD(Rho)y -0.4603403E-18 GRAD(Rho)z 0.8345568E-18 Laplacian 0.1819730E-01 (-1/4)Del**2(Rho)) -0.4549324E-02 Diamond 0.1518730E-03 Metallicity 0.4461048E+00 Ellipticity -0.2998919E+00 Gb(Abramov) 0.3371129E-02 Vb(Abramov) -0.2192933E-02 Hb(Abramov) 0.1178195E-02 Ex_ueg -0.5312712E-03 Ec_ueg -0.1208582E-03 Delta_ex -0.6567344E-03 Delta_ec 0.1696965E-03 Delta_et -0.1051432E-02 Pxc 0.4395821E+01 Qxc -0.3870053E+01 3,+3 75 3 +1 -1.319029 1.065904 2.140727 Rho 0.2347876E-01 |GRAD(Rho)| 0.3917895E-16 GRAD(Rho)x -0.6306433E-18 GRAD(Rho)y 0.2460204E-16 GRAD(Rho)z 0.3048495E-16 Laplacian 0.9151796E-01 (-1/4)Del**2(Rho)) -0.2287949E-01 Diamond 0.1104493E-01 Metallicity 0.1449546E+01 Ellipticity -0.3466895E+01 Gb(Abramov) 0.2078047E-01 Vb(Abramov) -0.1868146E-01 Hb(Abramov) 0.2099016E-02 Ex_ueg -0.4965374E-02 Ec_ueg -0.1012431E-02 Delta_ex -0.5605282E-02 Delta_ec 0.1566940E-02 Delta_et -0.1361604E-01 Pxc 0.4904406E+01 Qxc -0.3577216E+01 3,+1 76 3 -1 -1.985962 0.845299 3.021774 Rho 0.1295638E+00 |GRAD(Rho)| 0.1207200E-15 GRAD(Rho)x 0.1010544E-15 GRAD(Rho)y -0.6365622E-16 GRAD(Rho)z -0.1758440E-16 Laplacian 0.5108688E+00 (-1/4)Del**2(Rho)) -0.1277172E+00 Diamond 0.8604422E+00 Metallicity 0.4474832E+01 Ellipticity 0.4240901E-01 Gb(Abramov) 0.1803970E+00 Vb(Abramov) -0.2330768E+00 Hb(Abramov) -0.5267978E-01 Ex_ueg -0.4842059E-01 Ec_ueg -0.7148442E-02 Delta_ex -0.5284661E-01 Delta_ec 0.1326356E-01 Delta_et -0.1723838E+00 Pxc 0.6773587E+01 Qxc -0.3984347E+01 3,-1 77 3 +1 1.855643 -1.785900 -1.763076 Rho 0.1414645E-01 |GRAD(Rho)| 0.2039284E-14 GRAD(Rho)x -0.5988219E-15 GRAD(Rho)y 0.8168701E-15 GRAD(Rho)z -0.1769976E-14 Laplacian 0.6733077E-01 (-1/4)Del**2(Rho)) -0.1683269E-01 Diamond 0.3372408E-02 Metallicity 0.8468606E+00 Ellipticity -0.1370994E+01 Gb(Abramov) 0.1359762E-01 Vb(Abramov) -0.1036255E-01 Hb(Abramov) 0.3235074E-02 Ex_ueg -0.2526862E-02 Ec_ueg -0.5595416E-03 Delta_ex -0.3455163E-02 Delta_ec 0.8700023E-03 Delta_et -0.6791950E-02 Pxc 0.4515951E+01 Qxc -0.3971442E+01 3,+1 78 3 +1 0.008606 -2.945402 0.083781 Rho 0.4461943E-02 |GRAD(Rho)| 0.1093836E-16 GRAD(Rho)x -0.3645630E-17 GRAD(Rho)y 0.1004920E-16 GRAD(Rho)z 0.2317482E-17 Laplacian 0.1829591E-01 (-1/4)Del**2(Rho)) -0.4573977E-02 Diamond 0.3381926E-03 Metallicity 0.4554765E+00 Ellipticity -0.1931370E+01 Gb(Abramov) 0.3396541E-02 Vb(Abramov) -0.2219105E-02 Hb(Abramov) 0.1177436E-02 Ex_ueg -0.5425217E-03 Ec_ueg -0.1238320E-03 Delta_ex -0.8598636E-03 Delta_ec 0.5222092E-03 Delta_et -0.2762631E-02 Pxc 0.4381110E+01 Qxc -0.1646588E+01 3,+1 79 3 -1 -0.212742 -1.314987 -3.368279 Rho 0.5484784E-02 |GRAD(Rho)| 0.6018807E-16 GRAD(Rho)x 0.4088423E-16 GRAD(Rho)y 0.4370531E-17 GRAD(Rho)z 0.4395431E-16 Laplacian 0.2149440E-01 (-1/4)Del**2(Rho)) -0.5373601E-02 Diamond 0.8499657E-03 Metallicity 0.5468736E+00 Ellipticity 0.6718622E-01 Gb(Abramov) 0.4072181E-02 Vb(Abramov) -0.2770760E-02 Hb(Abramov) 0.1301420E-02 Ex_ueg -0.7143829E-03 Ec_ueg -0.1678343E-03 Delta_ex -0.1319767E-02 Delta_ec 0.1090523E-02 Delta_et -0.5923829E-02 Pxc 0.4256477E+01 Qxc -0.1210216E+01 3,-1 80 3 -1 0.247624 -1.170735 -1.866934 Rho 0.5598117E-02 |GRAD(Rho)| 0.2405335E-14 GRAD(Rho)x 0.5700547E-15 GRAD(Rho)y 0.1758937E-14 GRAD(Rho)z 0.1538447E-14 Laplacian 0.2275193E-01 (-1/4)Del**2(Rho)) -0.5687982E-02 Diamond 0.7419820E-03 Metallicity 0.5345622E+00 Ellipticity 0.9468178E+00 Gb(Abramov) 0.4298752E-02 Vb(Abramov) -0.2909521E-02 Hb(Abramov) 0.1389231E-02 Ex_ueg -0.7341324E-03 Ec_ueg -0.1727424E-03 Delta_ex -0.1255656E-02 Delta_ec 0.8937455E-03 Delta_et -0.4950446E-02 Pxc 0.4249869E+01 Qxc -0.1404937E+01 3,-1 81 3 -1 0.085615 -1.958665 -1.017084 Rho 0.7923448E-02 |GRAD(Rho)| 0.1069514E-16 GRAD(Rho)x -0.1031940E-16 GRAD(Rho)y 0.2483501E-17 GRAD(Rho)z 0.1314595E-17 Laplacian 0.3112902E-01 (-1/4)Del**2(Rho)) -0.7782255E-02 Diamond 0.1575816E-02 Metallicity 0.6971155E+00 Ellipticity 0.5888226E+00 Gb(Abramov) 0.6092358E-02 Vb(Abramov) -0.4402462E-02 Hb(Abramov) 0.1689896E-02 Ex_ueg -0.1166641E-02 Ec_ueg -0.2748117E-03 Delta_ex -0.1810534E-02 Delta_ec 0.1183488E-02 Delta_et -0.7299917E-02 Pxc 0.4245238E+01 Qxc -0.1529829E+01 3,-1 82 3 +1 0.363876 -1.756080 -0.684444 Rho 0.7298795E-02 |GRAD(Rho)| 0.3932377E-15 GRAD(Rho)x 0.9265100E-16 GRAD(Rho)y 0.2003368E-15 GRAD(Rho)z 0.3254487E-15 Laplacian 0.2989895E-01 (-1/4)Del**2(Rho)) -0.7474737E-02 Diamond 0.8688073E-03 Metallicity 0.6329594E+00 Ellipticity -0.1771065E+01 Gb(Abramov) 0.5771693E-02 Vb(Abramov) -0.4068648E-02 Hb(Abramov) 0.1703045E-02 Ex_ueg -0.1045651E-02 Ec_ueg -0.2471423E-03 Delta_ex -0.1439057E-02 Delta_ec 0.6498108E-03 Delta_et -0.4062495E-02 Pxc 0.4230966E+01 Qxc -0.2214578E+01 3,+1 83 3 +3 -1.152209 -1.080932 1.170135 Rho 0.4986907E-02 |GRAD(Rho)| 0.1482480E-11 GRAD(Rho)x -0.1481702E-11 GRAD(Rho)y -0.3772769E-13 GRAD(Rho)z 0.2969476E-13 Laplacian 0.2051848E-01 (-1/4)Del**2(Rho)) -0.5129619E-02 Diamond 0.1527069E-03 Metallicity 0.4888627E+00 Ellipticity -0.1441565E+00 Gb(Abramov) 0.3837693E-02 Vb(Abramov) -0.2545766E-02 Hb(Abramov) 0.1291926E-02 Ex_ueg -0.6292552E-03 Ec_ueg -0.1463494E-03 Delta_ex -0.7176392E-03 Delta_ec 0.1069114E-03 Delta_et -0.7982236E-03 Pxc 0.4299677E+01 Qxc -0.6712467E+01 3,+3 84 3 +1 -0.588119 -0.532038 1.711051 Rho 0.8170934E-02 |GRAD(Rho)| 0.1814010E-16 GRAD(Rho)x 0.1496790E-16 GRAD(Rho)y -0.1018147E-16 GRAD(Rho)z 0.1167430E-17 Laplacian 0.3371639E-01 (-1/4)Del**2(Rho)) -0.8429098E-02 Diamond 0.8876602E-03 Metallicity 0.6774723E+00 Ellipticity -0.1420686E+01 Gb(Abramov) 0.6571146E-02 Vb(Abramov) -0.4713193E-02 Hb(Abramov) 0.1857953E-02 Ex_ueg -0.1215479E-02 Ec_ueg -0.2858236E-03 Delta_ex -0.1542771E-02 Delta_ec 0.5141805E-03 Delta_et -0.3435605E-02 Pxc 0.4252548E+01 Qxc -0.3000447E+01 3,+1 85 3 +1 -0.316096 -1.106603 -2.561489 Rho 0.3565490E-02 |GRAD(Rho)| 0.4642617E-17 GRAD(Rho)x -0.4464711E-17 GRAD(Rho)y -0.1238574E-17 GRAD(Rho)z -0.2935763E-18 Laplacian 0.1419324E-01 (-1/4)Del**2(Rho)) -0.3548310E-02 Diamond 0.1428883E-03 Metallicity 0.4040145E+00 Ellipticity -0.1302737E+01 Gb(Abramov) 0.2604468E-02 Vb(Abramov) -0.1660626E-02 Hb(Abramov) 0.9438420E-03 Ex_ueg -0.4022944E-03 Ec_ueg -0.8571213E-04 Delta_ex -0.5641336E-03 Delta_ec 0.2718055E-03 Delta_et -0.1405610E-02 Pxc 0.4693553E+01 Qxc -0.2075505E+01 3,+1 86 3 +1 1.672869 0.533606 0.532987 Rho 0.7262803E-02 |GRAD(Rho)| 0.4784519E-16 GRAD(Rho)x -0.3031362E-16 GRAD(Rho)y -0.3680411E-16 GRAD(Rho)z 0.3962888E-17 Laplacian 0.2943766E-01 (-1/4)Del**2(Rho)) -0.7359416E-02 Diamond 0.6786414E-03 Metallicity 0.6376029E+00 Ellipticity -0.1424083E+01 Gb(Abramov) 0.5688342E-02 Vb(Abramov) -0.4017267E-02 Hb(Abramov) 0.1671075E-02 Ex_ueg -0.1038781E-02 Ec_ueg -0.2455535E-03 Delta_ex -0.1318709E-02 Delta_ec 0.4673920E-03 Delta_et -0.3012843E-02 Pxc 0.4230366E+01 Qxc -0.2821421E+01 3,+1 87 3 +1 0.416634 -0.827220 -1.787666 Rho 0.5373713E-02 |GRAD(Rho)| 0.1430761E-16 GRAD(Rho)x -0.1033779E-16 GRAD(Rho)y 0.2344225E-17 GRAD(Rho)z 0.9609494E-17 Laplacian 0.2233963E-01 (-1/4)Del**2(Rho)) -0.5584907E-02 Diamond 0.4960051E-03 Metallicity 0.5085434E+00 Ellipticity -0.1858875E+01 Gb(Abramov) 0.4196633E-02 Vb(Abramov) -0.2808358E-02 Hb(Abramov) 0.1388274E-02 Ex_ueg -0.6951594E-03 Ec_ueg -0.1630305E-03 Delta_ex -0.1060572E-02 Delta_ec 0.5860298E-03 Delta_et -0.3299294E-02 Pxc 0.4263984E+01 Qxc -0.1809758E+01 3,+1 88 3 -1 0.284495 -0.397783 0.333345 Rho 0.1979801E+00 |GRAD(Rho)| 0.1331262E-13 GRAD(Rho)x -0.6461617E-14 GRAD(Rho)y 0.9085178E-14 GRAD(Rho)z -0.7275492E-14 Laplacian 0.6718952E+00 (-1/4)Del**2(Rho)) -0.1679738E+00 Diamond 0.2118656E+01 Metallicity 0.6897326E+01 Ellipticity 0.1542218E-02 Gb(Abramov) 0.3050776E+00 Vb(Abramov) -0.4421813E+00 Hb(Abramov) -0.1371038E+00 Ex_ueg -0.8522108E-01 Ec_ueg -0.1158296E-01 Delta_ex -0.7884799E-01 Delta_ec 0.1854480E-01 Delta_et -0.2638576E+00 Pxc 0.7357455E+01 Qxc -0.4251757E+01 3,-1 89 3 +1 0.549948 1.700506 0.497533 Rho 0.7736196E-02 |GRAD(Rho)| 0.4387268E-17 GRAD(Rho)x 0.2783053E-17 GRAD(Rho)y 0.2380954E-17 GRAD(Rho)z 0.2415325E-17 Laplacian 0.3183929E-01 (-1/4)Del**2(Rho)) -0.7959823E-02 Diamond 0.7923974E-03 Metallicity 0.6549311E+00 Ellipticity -0.1422691E+01 Gb(Abramov) 0.6175404E-02 Vb(Abramov) -0.4390986E-02 Hb(Abramov) 0.1784418E-02 Ex_ueg -0.1130026E-02 Ec_ueg -0.2664985E-03 Delta_ex -0.1444663E-02 Delta_ec 0.4987270E-03 Delta_et -0.3274501E-02 Pxc 0.4240271E+01 Qxc -0.2896702E+01 3,+1 90 3 +3 -0.174834 -0.422638 -2.574072 Rho 0.3107007E-02 |GRAD(Rho)| 0.4564499E-17 GRAD(Rho)x -0.3856438E-17 GRAD(Rho)y -0.9950917E-18 GRAD(Rho)z 0.2229872E-17 Laplacian 0.1236309E-01 (-1/4)Del**2(Rho)) -0.3090774E-02 Diamond 0.9291314E-04 Metallicity 0.3687423E+00 Ellipticity -0.7928971E+00 Gb(Abramov) 0.2250466E-02 Vb(Abramov) -0.1410157E-02 Hb(Abramov) 0.8403080E-03 Ex_ueg -0.3348431E-03 Ec_ueg -0.6638188E-04 Delta_ex -0.4587850E-03 Delta_ec 0.2038723E-03 Delta_et -0.1036064E-02 Pxc 0.5044193E+01 Qxc -0.2250354E+01 3,+3 91 3 -1 0.848648 1.929260 -2.953395 Rho 0.1341571E+00 |GRAD(Rho)| 0.3478683E-13 GRAD(Rho)x -0.3383136E-13 GRAD(Rho)y -0.8004814E-14 GRAD(Rho)z 0.1218752E-14 Laplacian 0.5329023E+00 (-1/4)Del**2(Rho)) -0.1332256E+00 Diamond 0.9468815E+00 Metallicity 0.4546266E+01 Ellipticity 0.3302175E-01 Gb(Abramov) 0.1897635E+00 Vb(Abramov) -0.2463015E+00 Hb(Abramov) -0.5653795E-01 Ex_ueg -0.5072279E-01 Ec_ueg -0.7437187E-02 Delta_ex -0.5571971E-01 Delta_ec 0.1394612E-01 Delta_et -0.1826997E+00 Pxc 0.6820157E+01 Qxc -0.3995355E+01 3,-1 92 3 +3 1.833694 1.786783 -1.788648 Rho 0.1190774E-01 |GRAD(Rho)| 0.1057298E-15 GRAD(Rho)x -0.5205832E-16 GRAD(Rho)y -0.7048246E-16 GRAD(Rho)z 0.5916875E-16 Laplacian 0.5442276E-01 (-1/4)Del**2(Rho)) -0.1360569E-01 Diamond 0.1113333E-02 Metallicity 0.7862269E+00 Ellipticity -0.5768485E+00 Gb(Abramov) 0.1085332E-01 Vb(Abramov) -0.8100950E-02 Hb(Abramov) 0.2752370E-02 Ex_ueg -0.2008279E-02 Ec_ueg -0.4553114E-03 Delta_ex -0.2364739E-02 Delta_ec 0.1619635E-03 Delta_et -0.1632267E-02 Pxc 0.4410780E+01 Qxc -0.1460045E+02 3,+3 93 3 -1 0.451041 1.628281 -1.687586 Rho 0.4633026E-01 |GRAD(Rho)| 0.1789469E-12 GRAD(Rho)x -0.6039206E-13 GRAD(Rho)y 0.1138755E-12 GRAD(Rho)z -0.1241257E-12 Laplacian 0.1834727E+00 (-1/4)Del**2(Rho)) -0.4586817E-01 Diamond 0.8347593E-01 Metallicity 0.2244655E+01 Ellipticity 0.1115995E-01 Gb(Abramov) 0.4773849E-01 Vb(Abramov) -0.4960880E-01 Hb(Abramov) -0.1870313E-02 Ex_ueg -0.1228961E-01 Ec_ueg -0.2213051E-02 Delta_ex -0.1479786E-01 Delta_ec 0.5437829E-02 Delta_et -0.5619708E-01 Pxc 0.5553242E+01 Qxc -0.2721281E+01 3,-1 94 3 +1 0.151422 2.951961 -0.116134 Rho 0.5311225E-02 |GRAD(Rho)| 0.3712428E-17 GRAD(Rho)x 0.1118592E-17 GRAD(Rho)y 0.4519996E-18 GRAD(Rho)z 0.3510922E-17 Laplacian 0.2201268E-01 (-1/4)Del**2(Rho)) -0.5503171E-02 Diamond 0.5688328E-03 Metallicity 0.5061330E+00 Ellipticity -0.3450179E+01 Gb(Abramov) 0.4133003E-02 Vb(Abramov) -0.2762836E-02 Hb(Abramov) 0.1370168E-02 Ex_ueg -0.6844021E-03 Ec_ueg -0.1603306E-03 Delta_ex -0.1117681E-02 Delta_ec 0.7116392E-03 Delta_et -0.3928061E-02 Pxc 0.4268694E+01 Qxc -0.1570572E+01 3,+1 95 3 +1 2.074076 1.320474 -1.011459 Rho 0.2179237E-01 |GRAD(Rho)| 0.5778185E-16 GRAD(Rho)x -0.7205148E-17 GRAD(Rho)y 0.4746946E-16 GRAD(Rho)z 0.3214776E-16 Laplacian 0.8469802E-01 (-1/4)Del**2(Rho)) -0.2117450E-01 Diamond 0.9445237E-02 Metallicity 0.1383292E+01 Ellipticity -0.3574560E+01 Gb(Abramov) 0.1899809E-01 Vb(Abramov) -0.1682168E-01 Hb(Abramov) 0.2176414E-02 Ex_ueg -0.4495634E-02 Ec_ueg -0.9286119E-03 Delta_ex -0.5114728E-02 Delta_ec 0.1501216E-02 Delta_et -0.1278876E-01 Pxc 0.4841241E+01 Qxc -0.3407058E+01 3,+1 96 3 +1 1.765365 1.781787 1.747426 Rho 0.1234209E-01 |GRAD(Rho)| 0.1126810E-16 GRAD(Rho)x -0.7713456E-17 GRAD(Rho)y 0.8194375E-17 GRAD(Rho)z 0.5699805E-18 Laplacian 0.6199092E-01 (-1/4)Del**2(Rho)) -0.1549773E-01 Diamond 0.2559959E-02 Metallicity 0.7327116E+00 Ellipticity -0.1244419E+01 Gb(Abramov) 0.1222438E-01 Vb(Abramov) -0.8951032E-02 Hb(Abramov) 0.3273349E-02 Ex_ueg -0.2106542E-02 Ec_ueg -0.4753841E-03 Delta_ex -0.3063796E-02 Delta_ec 0.7938706E-03 Delta_et -0.6001868E-02 Pxc 0.4431242E+01 Qxc -0.3859314E+01 3,+1 97 3 -1 0.838390 2.926361 -1.964880 Rho 0.1391166E+00 |GRAD(Rho)| 0.5723462E-15 GRAD(Rho)x 0.4977166E-15 GRAD(Rho)y 0.6667166E-16 GRAD(Rho)z 0.2746149E-15 Laplacian 0.5551699E+00 (-1/4)Del**2(Rho)) -0.1387925E+00 Diamond 0.1032367E+01 Metallicity 0.4636094E+01 Ellipticity 0.3392671E-01 Gb(Abramov) 0.1997708E+00 Vb(Abramov) -0.2607491E+00 Hb(Abramov) -0.6097833E-01 Ex_ueg -0.5323824E-01 Ec_ueg -0.7750502E-02 Delta_ex -0.5858279E-01 Delta_ec 0.1444030E-01 Delta_et -0.1903226E+00 Pxc 0.6869005E+01 Qxc -0.4056894E+01 3,-1 98 3 +3 0.042381 2.318082 0.001135 Rho 0.4429310E-02 |GRAD(Rho)| 0.1230702E-14 GRAD(Rho)x -0.6604846E-15 GRAD(Rho)y -0.9073519E-15 GRAD(Rho)z 0.5050736E-15 Laplacian 0.1837600E-01 (-1/4)Del**2(Rho)) -0.4594000E-02 Diamond 0.1519866E-03 Metallicity 0.4479770E+00 Ellipticity -0.3246182E+00 Gb(Abramov) 0.3405668E-02 Vb(Abramov) -0.2217335E-02 Hb(Abramov) 0.1188332E-02 Ex_ueg -0.5372378E-03 Ec_ueg -0.1224370E-03 Delta_ex -0.6611811E-03 Delta_ec 0.1652630E-03 Delta_et -0.1034460E-02 Pxc 0.4387872E+01 Qxc -0.4000782E+01 3,+3 99 3 +1 -0.560420 1.670243 -0.540400 Rho 0.9061827E-02 |GRAD(Rho)| 0.7654176E-16 GRAD(Rho)x 0.3044895E-16 GRAD(Rho)y 0.6545491E-16 GRAD(Rho)z -0.2543926E-16 Laplacian 0.3761167E-01 (-1/4)Del**2(Rho)) -0.9402917E-02 Diamond 0.1100837E-02 Metallicity 0.7216338E+00 Ellipticity -0.1417523E+01 Gb(Abramov) 0.7399522E-02 Vb(Abramov) -0.5396127E-02 Hb(Abramov) 0.2003395E-02 Ex_ueg -0.1395317E-02 Ec_ueg -0.3256906E-03 Delta_ex -0.1749567E-02 Delta_ec 0.5441849E-03 Delta_et -0.3757830E-02 Pxc 0.4284178E+01 Qxc -0.3215023E+01 3,+1 100 3 -1 0.568036 2.793641 1.813161 Rho 0.1368946E+00 |GRAD(Rho)| 0.6620343E-13 GRAD(Rho)x -0.4409683E-13 GRAD(Rho)y -0.2039333E-13 GRAD(Rho)z 0.4497193E-13 Laplacian 0.5720514E+00 (-1/4)Del**2(Rho)) -0.1430128E+00 Diamond 0.1045507E+01 Metallicity 0.4380148E+01 Ellipticity 0.1234959E-01 Gb(Abramov) 0.1997448E+00 Vb(Abramov) -0.2564768E+00 Hb(Abramov) -0.5673196E-01 Ex_ueg -0.5210750E-01 Ec_ueg -0.7609935E-02 Delta_ex -0.6015262E-01 Delta_ec 0.1498019E-01 Delta_et -0.1970336E+00 Pxc 0.6847299E+01 Qxc -0.4015477E+01 3,-1 101 3 +1 -0.098189 2.954925 0.130497 Rho 0.5328482E-02 |GRAD(Rho)| 0.1227799E-16 GRAD(Rho)x -0.1058141E-16 GRAD(Rho)y -0.1066265E-17 GRAD(Rho)z -0.6135618E-17 Laplacian 0.2181395E-01 (-1/4)Del**2(Rho)) -0.5453488E-02 Diamond 0.5802118E-03 Metallicity 0.5135128E+00 Ellipticity -0.5171104E+01 Gb(Abramov) 0.4102398E-02 Vb(Abramov) -0.2751308E-02 Hb(Abramov) 0.1351090E-02 Ex_ueg -0.6873687E-03 Ec_ueg -0.1610760E-03 Delta_ex -0.1120269E-02 Delta_ec 0.7266134E-03 Delta_et -0.4006266E-02 Pxc 0.4267356E+01 Qxc -0.1541768E+01 3,+1 102 3 +1 1.295692 1.021044 -2.117215 Rho 0.2563730E-01 |GRAD(Rho)| 0.2448854E-16 GRAD(Rho)x 0.1797246E-16 GRAD(Rho)y -0.1610047E-16 GRAD(Rho)z 0.4177864E-17 Laplacian 0.1022310E+00 (-1/4)Del**2(Rho)) -0.2555774E-01 Diamond 0.1444375E-01 Metallicity 0.1502512E+01 Ellipticity -0.4597960E+01 Gb(Abramov) 0.2343863E-01 Vb(Abramov) -0.2131952E-01 Hb(Abramov) 0.2119111E-02 Ex_ueg -0.5583179E-02 Ec_ueg -0.1120855E-02 Delta_ex -0.6464316E-02 Delta_ec 0.1847577E-02 Delta_et -0.1638530E-01 Pxc 0.4981180E+01 Qxc -0.3498807E+01 3,+1 103 3 -1 -0.005969 2.955994 0.039562 Rho 0.5333883E-02 |GRAD(Rho)| 0.1650173E-17 GRAD(Rho)x 0.1498819E-18 GRAD(Rho)y 0.1553303E-17 GRAD(Rho)z -0.5365202E-18 Laplacian 0.2159595E-01 (-1/4)Del**2(Rho)) -0.5398986E-02 Diamond 0.6298572E-03 Metallicity 0.5195733E+00 Ellipticity 0.5951383E+01 Gb(Abramov) 0.4066852E-02 Vb(Abramov) -0.2734718E-02 Hb(Abramov) 0.1332134E-02 Ex_ueg -0.6882979E-03 Ec_ueg -0.1613093E-03 Delta_ex -0.1155853E-02 Delta_ec 0.8024891E-03 Delta_et -0.4394436E-02 Pxc 0.4266944E+01 Qxc -0.1440334E+01 3,-1 104 3 +1 0.294329 -1.468824 -1.698206 Rho 0.5465142E-02 |GRAD(Rho)| 0.4526891E-13 GRAD(Rho)x -0.3964355E-13 GRAD(Rho)y 0.1059280E-14 GRAD(Rho)z 0.2182982E-13 Laplacian 0.2205274E-01 (-1/4)Del**2(Rho)) -0.5513185E-02 Diamond 0.5424029E-03 Metallicity 0.5298500E+00 Ellipticity -0.2419620E+01 Gb(Abramov) 0.4162317E-02 Vb(Abramov) -0.2811449E-02 Hb(Abramov) 0.1350868E-02 Ex_ueg -0.7109738E-03 Ec_ueg -0.1669843E-03 Delta_ex -0.1084859E-02 Delta_ec 0.6396322E-03 Delta_et -0.3589611E-02 Pxc 0.4257728E+01 Qxc -0.1696067E+01 3,+1 105 3 -1 1.737880 -2.841687 -0.645644 Rho 0.2049969E+00 |GRAD(Rho)| 0.3631653E-15 GRAD(Rho)x 0.5041540E-16 GRAD(Rho)y 0.1560845E-15 GRAD(Rho)z 0.3240138E-15 Laplacian 0.7996095E+00 (-1/4)Del**2(Rho)) -0.1999024E+00 Diamond 0.2322582E+01 Metallicity 0.6142062E+01 Ellipticity 0.4432708E-02 Gb(Abramov) 0.3379037E+00 Vb(Abramov) -0.4759051E+00 Hb(Abramov) -0.1380013E+00 Ex_ueg -0.8927193E-01 Ec_ueg -0.1205311E-01 Delta_ex -0.9263577E-01 Delta_ec 0.1828100E-01 Delta_et -0.2503545E+00 Pxc 0.7406548E+01 Qxc -0.5067326E+01 3,-1 106 3 -1 1.903956 -3.000960 0.805849 Rho 0.1343785E+00 |GRAD(Rho)| 0.1760667E-15 GRAD(Rho)x 0.1628065E-15 GRAD(Rho)y 0.1125537E-16 GRAD(Rho)z -0.6608212E-16 Laplacian 0.5291599E+00 (-1/4)Del**2(Rho)) -0.1322900E+00 Diamond 0.9503999E+00 Metallicity 0.4591021E+01 Ellipticity 0.2316864E-01 Gb(Abramov) 0.1894177E+00 Vb(Abramov) -0.2465454E+00 Hb(Abramov) -0.5712770E-01 Ex_ueg -0.5083446E-01 Ec_ueg -0.7451144E-02 Delta_ex -0.5544627E-01 Delta_ec 0.1401368E-01 Delta_et -0.1839665E+00 Pxc 0.6822370E+01 Qxc -0.3956582E+01 3,-1 107 3 +1 2.055181 -1.317706 1.044815 Rho 0.2412818E-01 |GRAD(Rho)| 0.5011023E-15 GRAD(Rho)x 0.2867768E-15 GRAD(Rho)y -0.3699471E-15 GRAD(Rho)z -0.1788902E-15 Laplacian 0.9484905E-01 (-1/4)Del**2(Rho)) -0.2371226E-01 Diamond 0.1233305E-01 Metallicity 0.1463708E+01 Ellipticity -0.4306042E+01 Gb(Abramov) 0.2159282E-01 Vb(Abramov) -0.1947337E-01 Hb(Abramov) 0.2119448E-02 Ex_ueg -0.5149336E-02 Ec_ueg -0.1044920E-02 Delta_ex -0.5902638E-02 Delta_ec 0.1715103E-02 Delta_et -0.1498122E-01 Pxc 0.4927969E+01 Qxc -0.3441564E+01 3,+1 108 3 +1 1.962665 -2.011847 2.006910 Rho 0.1249215E-01 |GRAD(Rho)| 0.1243717E-16 GRAD(Rho)x 0.1214443E-16 GRAD(Rho)y 0.1008917E-17 GRAD(Rho)z -0.2485577E-17 Laplacian 0.5877442E-01 (-1/4)Del**2(Rho)) -0.1469361E-01 Diamond 0.2101981E-02 Metallicity 0.7885335E+00 Ellipticity -0.1184289E+01 Gb(Abramov) 0.1172680E-01 Vb(Abramov) -0.8760002E-02 Hb(Abramov) 0.2966802E-02 Ex_ueg -0.2140760E-02 Ec_ueg -0.4823358E-03 Delta_ex -0.2813968E-02 Delta_ec 0.5738244E-03 Delta_et -0.4487260E-02 Pxc 0.4438319E+01 Qxc -0.4903883E+01 3,+1 109 3 +1 1.663571 -0.569444 -0.552749 Rho 0.8136733E-02 |GRAD(Rho)| 0.1277206E-16 GRAD(Rho)x 0.4684479E-17 GRAD(Rho)y 0.8608045E-17 GRAD(Rho)z -0.8190397E-17 Laplacian 0.3373603E-01 (-1/4)Del**2(Rho)) -0.8434008E-02 Diamond 0.8718306E-03 Metallicity 0.6723612E+00 Ellipticity -0.1401182E+01 Gb(Abramov) 0.6567788E-02 Vb(Abramov) -0.4701569E-02 Hb(Abramov) 0.1866219E-02 Ex_ueg -0.1208700E-02 Ec_ueg -0.2843002E-03 Delta_ex -0.1536585E-02 Delta_ec 0.5046987E-03 Delta_et -0.3375983E-02 Pxc 0.4251492E+01 Qxc -0.3044558E+01 3,+1 110 3 -1 1.596045 -1.735221 0.424466 Rho 0.3944872E-01 |GRAD(Rho)| 0.1103949E-15 GRAD(Rho)x 0.6484037E-16 GRAD(Rho)y -0.8865237E-16 GRAD(Rho)z -0.1111339E-16 Laplacian 0.1532270E+00 (-1/4)Del**2(Rho)) -0.3830676E-01 Diamond 0.5567140E-01 Metallicity 0.2055887E+01 Ellipticity 0.7271609E-02 Gb(Abramov) 0.3866357E-01 Vb(Abramov) -0.3902038E-01 Hb(Abramov) -0.3568097E-03 Ex_ueg -0.9918110E-02 Ec_ueg -0.1840529E-02 Delta_ex -0.1185213E-01 Delta_ec 0.4509206E-02 Delta_et -0.4463948E-01 Pxc 0.5388727E+01 Qxc -0.2628429E+01 3,-1 111 3 +1 1.195117 -2.139281 1.090206 Rho 0.2571923E-01 |GRAD(Rho)| 0.1295274E-15 GRAD(Rho)x -0.7717196E-16 GRAD(Rho)y -0.9651090E-16 GRAD(Rho)z -0.3882617E-16 Laplacian 0.1032303E+00 (-1/4)Del**2(Rho)) -0.2580759E-01 Diamond 0.1510476E-01 Metallicity 0.1495900E+01 Ellipticity -0.5863904E+01 Gb(Abramov) 0.2363932E-01 Vb(Abramov) -0.2147105E-01 Hb(Abramov) 0.2168268E-02 Ex_ueg -0.5606981E-02 Ec_ueg -0.1124994E-02 Delta_ex -0.6580683E-02 Delta_ec 0.1950718E-02 Delta_et -0.1729685E-01 Pxc 0.4984009E+01 Qxc -0.3373467E+01 3,+1 112 3 -1 1.671389 1.680420 -0.496764 Rho 0.2941601E-01 |GRAD(Rho)| 0.2090164E-16 GRAD(Rho)x 0.1618362E-18 GRAD(Rho)y 0.1721933E-16 GRAD(Rho)z -0.1184681E-16 Laplacian 0.1182928E+00 (-1/4)Del**2(Rho)) -0.2957321E-01 Diamond 0.2929308E-01 Metallicity 0.1632905E+01 Ellipticity 0.1781009E-01 Gb(Abramov) 0.2776385E-01 Vb(Abramov) -0.2595448E-01 Hb(Abramov) 0.1809364E-02 Ex_ueg -0.6706511E-02 Ec_ueg -0.1313524E-02 Delta_ex -0.8554292E-02 Delta_ec 0.3558327E-02 Delta_et -0.3250212E-01 Pxc 0.5105741E+01 Qxc -0.2404021E+01 3,-1 113 3 -1 1.819126 2.802125 0.590628 Rho 0.1381616E+00 |GRAD(Rho)| 0.6411696E-13 GRAD(Rho)x 0.5586054E-13 GRAD(Rho)y 0.3007442E-13 GRAD(Rho)z -0.9279795E-14 Laplacian 0.5826993E+00 (-1/4)Del**2(Rho)) -0.1456748E+00 Diamond 0.1055063E+01 Metallicity 0.4366641E+01 Ellipticity 0.1930139E-01 Gb(Abramov) 0.2031348E+00 Vb(Abramov) -0.2605948E+00 Hb(Abramov) -0.5746000E-01 Ex_ueg -0.5275149E-01 Ec_ueg -0.7690046E-02 Delta_ex -0.6116747E-01 Delta_ec 0.1479336E-01 Delta_et -0.1939811E+00 Pxc 0.6859711E+01 Qxc -0.4134791E+01 3,-1 114 3 -1 1.989485 2.960759 -0.822291 Rho 0.1335880E+00 |GRAD(Rho)| 0.5691556E-13 GRAD(Rho)x -0.4535641E-13 GRAD(Rho)y -0.2305872E-13 GRAD(Rho)z -0.2550437E-13 Laplacian 0.5282699E+00 (-1/4)Del**2(Rho)) -0.1320675E+00 Diamond 0.9235741E+00 Metallicity 0.4553753E+01 Ellipticity 0.4311402E-01 Gb(Abramov) 0.1882788E+00 Vb(Abramov) -0.2444900E+00 Hb(Abramov) -0.5621128E-01 Ex_ueg -0.5043609E-01 Ec_ueg -0.7401336E-02 Delta_ex -0.5505891E-01 Delta_ec 0.1362535E-01 Delta_et -0.1779636E+00 Pxc 0.6814458E+01 Qxc -0.4040918E+01 3,-1 115 3 -1 2.979137 1.989442 -0.795392 Rho 0.1348983E+00 |GRAD(Rho)| 0.1343573E-12 GRAD(Rho)x 0.8155111E-14 GRAD(Rho)y 0.3069792E-13 GRAD(Rho)z -0.1305489E-12 Laplacian 0.5350462E+00 (-1/4)Del**2(Rho)) -0.1337615E+00 Diamond 0.9475953E+00 Metallicity 0.4569824E+01 Ellipticity 0.3585236E-01 Gb(Abramov) 0.1910521E+00 Vb(Abramov) -0.2483427E+00 Hb(Abramov) -0.5729060E-01 Ex_ueg -0.5109681E-01 Ec_ueg -0.7483915E-02 Delta_ex -0.5591055E-01 Delta_ec 0.1379088E-01 Delta_et -0.1804445E+00 Pxc 0.6827551E+01 Qxc -0.4054167E+01 3,-1 116 3 -1 3.194145 3.216146 0.085636 Rho 0.2360091E+00 |GRAD(Rho)| 0.5123300E-10 GRAD(Rho)x -0.3543145E-10 GRAD(Rho)y -0.3604683E-10 GRAD(Rho)z -0.8370127E-11 Laplacian 0.8290418E+00 (-1/4)Del**2(Rho)) -0.2072604E+00 Diamond 0.2901601E+01 Metallicity 0.7491772E+01 Ellipticity 0.3141912E-03 Gb(Abramov) 0.3969650E+00 Vb(Abramov) -0.5866695E+00 Hb(Abramov) -0.1897045E+00 Ex_ueg -0.1077184E+00 Ec_ueg -0.1416367E-01 Delta_ex -0.9988073E-01 Delta_ec 0.1867823E-01 Delta_et -0.2597491E+00 Pxc 0.7605263E+01 Qxc -0.5347441E+01 3,-1 117 3 -1 -3.211234 3.153729 -0.073335 Rho 0.2419302E+00 |GRAD(Rho)| 0.9847234E-14 GRAD(Rho)x 0.3315490E-15 GRAD(Rho)y 0.8257826E-14 GRAD(Rho)z 0.5354102E-14 Laplacian 0.8841694E+00 (-1/4)Del**2(Rho)) -0.2210424E+00 Diamond 0.3148450E+01 Metallicity 0.7320843E+01 Ellipticity 0.8369130E-02 Gb(Abramov) 0.4170643E+00 Vb(Abramov) -0.6130863E+00 Hb(Abramov) -0.1960220E+00 Ex_ueg -0.1113367E+00 Ec_ueg -0.1457264E-01 Delta_ex -0.1070026E+00 Delta_ec 0.1940193E-01 Delta_et -0.2684481E+00 Pxc 0.7640119E+01 Qxc -0.5515049E+01 3,-1 118 3 +3 1.109966 1.096612 1.046847 Rho 0.4492900E-02 |GRAD(Rho)| 0.6510829E-16 GRAD(Rho)x 0.2695424E-16 GRAD(Rho)y -0.4230510E-16 GRAD(Rho)z -0.4150706E-16 Laplacian 0.1837368E-01 (-1/4)Del**2(Rho)) -0.4593419E-02 Diamond 0.1232873E-03 Metallicity 0.4588052E+00 Ellipticity -0.1141536E+00 Gb(Abramov) 0.3413527E-02 Vb(Abramov) -0.2233635E-02 Hb(Abramov) 0.1179892E-02 Ex_ueg -0.5475462E-03 Ec_ueg -0.1251559E-03 Delta_ex -0.6296211E-03 Delta_ec 0.1047316E-03 Delta_et -0.7443466E-03 Pxc 0.4374912E+01 Qxc -0.6011761E+01 3,+3 119 3 -1 -2.817372 -1.786031 0.600076 Rho 0.1372531E+00 |GRAD(Rho)| 0.3297255E-15 GRAD(Rho)x -0.1182119E-16 GRAD(Rho)y -0.1978533E-15 GRAD(Rho)z -0.2635018E-15 Laplacian 0.5743899E+00 (-1/4)Del**2(Rho)) -0.1435975E+00 Diamond 0.1049434E+01 Metallicity 0.4381373E+01 Ellipticity 0.1229927E-01 Gb(Abramov) 0.2005906E+00 Vb(Abramov) -0.2575838E+00 Hb(Abramov) -0.5699318E-01 Ex_ueg -0.5228953E-01 Ec_ueg -0.7632594E-02 Delta_ex -0.6039588E-01 Delta_ec 0.1495885E-01 Delta_et -0.1966867E+00 Pxc 0.6850821E+01 Qxc -0.4037468E+01 3,-1 120 3 +1 -1.802700 -1.719851 1.828300 Rho 0.1248538E-01 |GRAD(Rho)| 0.6625626E-17 GRAD(Rho)x -0.4248373E-17 GRAD(Rho)y -0.3795846E-17 GRAD(Rho)z -0.3382573E-17 Laplacian 0.6293419E-01 (-1/4)Del**2(Rho)) -0.1573355E-01 Diamond 0.2639880E-02 Metallicity 0.7357489E+00 Ellipticity -0.1249498E+01 Gb(Abramov) 0.1241836E-01 Vb(Abramov) -0.9103163E-02 Hb(Abramov) 0.3315192E-02 Ex_ueg -0.2139214E-02 Ec_ueg -0.4820221E-03 Delta_ex -0.3119799E-02 Delta_ec 0.8056900E-03 Delta_et -0.6108511E-02 Pxc 0.4438000E+01 Qxc -0.3872207E+01 3,+1 121 3 +3 -0.110896 -2.402482 -0.069409 Rho 0.3944328E-02 |GRAD(Rho)| 0.5899593E-17 GRAD(Rho)x 0.5495550E-17 GRAD(Rho)y -0.9351244E-18 GRAD(Rho)z -0.1931235E-17 Laplacian 0.1623120E-01 (-1/4)Del**2(Rho)) -0.4057799E-02 Diamond 0.1186881E-03 Metallicity 0.4180398E+00 Ellipticity -0.1942242E+00 Gb(Abramov) 0.2987920E-02 Vb(Abramov) -0.1918040E-02 Hb(Abramov) 0.1069880E-02 Ex_ueg -0.4602732E-03 Ec_ueg -0.1017697E-03 Delta_ex -0.5721005E-03 Delta_ec 0.1550159E-03 Delta_et -0.9306138E-03 Pxc 0.4522695E+01 Qxc -0.3690592E+01 3,+3 122 3 +1 -2.201515 -1.132038 -1.284281 Rho 0.2776712E-01 |GRAD(Rho)| 0.2207803E-15 GRAD(Rho)x 0.1104654E-15 GRAD(Rho)y -0.1910879E-15 GRAD(Rho)z 0.5169401E-17 Laplacian 0.1143208E+00 (-1/4)Del**2(Rho)) -0.2858020E-01 Diamond 0.1817364E-01 Metallicity 0.1534756E+01 Ellipticity -0.4772338E+01 Gb(Abramov) 0.2636408E-01 Vb(Abramov) -0.2414795E-01 Hb(Abramov) 0.2216129E-02 Ex_ueg -0.6210018E-02 Ec_ueg -0.1229019E-02 Delta_ex -0.7397608E-02 Delta_ec 0.2090985E-02 Delta_et -0.1891017E-01 Pxc 0.5052826E+01 Qxc -0.3537858E+01 3,+1 123 3 +1 -1.757972 1.732446 -1.732873 Rho 0.1173997E-01 |GRAD(Rho)| 0.5077745E-16 GRAD(Rho)x -0.3809140E-16 GRAD(Rho)y -0.8087482E-17 GRAD(Rho)z 0.3258815E-16 Laplacian 0.5729670E-01 (-1/4)Del**2(Rho)) -0.1432417E-01 Diamond 0.2242606E-02 Metallicity 0.7293376E+00 Ellipticity -0.1287668E+01 Gb(Abramov) 0.1129064E-01 Vb(Abramov) -0.8257111E-02 Hb(Abramov) 0.3033531E-02 Ex_ueg -0.1970642E-02 Ec_ueg -0.4475785E-03 Delta_ex -0.2804532E-02 Delta_ec 0.7514974E-03 Delta_et -0.5598781E-02 Pxc 0.4402897E+01 Qxc -0.3731926E+01 3,+1 124 3 -1 -1.702417 1.666790 0.482300 Rho 0.4353497E-01 |GRAD(Rho)| 0.9371969E-16 GRAD(Rho)x -0.8549908E-16 GRAD(Rho)y -0.2825130E-16 GRAD(Rho)z -0.2598369E-16 Laplacian 0.1714076E+00 (-1/4)Del**2(Rho)) -0.4285191E-01 Diamond 0.7128566E-01 Metallicity 0.2165942E+01 Ellipticity 0.2054259E-01 Gb(Abramov) 0.4403706E-01 Vb(Abramov) -0.4522221E-01 Hb(Abramov) -0.1185153E-02 Ex_ueg -0.1131105E-01 Ec_ueg -0.2060757E-02 Delta_ex -0.1359186E-01 Delta_ec 0.5047903E-02 Delta_et -0.5130819E-01 Pxc 0.5488781E+01 Qxc -0.2692576E+01 3,-1 125 3 +1 -1.259734 2.120576 1.124246 Rho 0.2634684E-01 |GRAD(Rho)| 0.1780017E-16 GRAD(Rho)x 0.1712644E-16 GRAD(Rho)y -0.2355264E-18 GRAD(Rho)z -0.4845175E-17 Laplacian 0.1060094E+00 (-1/4)Del**2(Rho)) -0.2650235E-01 Diamond 0.1576371E-01 Metallicity 0.1516409E+01 Ellipticity -0.5196844E+01 Gb(Abramov) 0.2436630E-01 Vb(Abramov) -0.2223025E-01 Hb(Abramov) 0.2136049E-02 Ex_ueg -0.5790150E-02 Ec_ueg -0.1156762E-02 Delta_ex -0.6773518E-02 Delta_ec 0.1954396E-02 Delta_et -0.1744357E-01 Pxc 0.5005482E+01 Qxc -0.3465786E+01 3,+1 126 3 +1 -0.214932 -0.417508 -3.044453 Rho 0.3307355E-02 |GRAD(Rho)| 0.6741311E-17 GRAD(Rho)x -0.4845900E-17 GRAD(Rho)y 0.4679906E-17 GRAD(Rho)z 0.2469852E-18 Laplacian 0.1296565E-01 (-1/4)Del**2(Rho)) -0.3241413E-02 Diamond 0.1518528E-03 Metallicity 0.3901996E+00 Ellipticity -0.1592921E+01 Gb(Abramov) 0.2371742E-02 Vb(Abramov) -0.1502070E-02 Hb(Abramov) 0.8696713E-03 Ex_ueg -0.3639369E-03 Ec_ueg -0.7481481E-04 Delta_ex -0.5617040E-03 Delta_ec 0.3457342E-03 Delta_et -0.1683517E-02 Pxc 0.4864504E+01 Qxc -0.1624670E+01 3,+1 127 3 -1 0.291039 0.322620 -0.397387 Rho 0.1998234E+00 |GRAD(Rho)| 0.1354350E-15 GRAD(Rho)x -0.1344951E-15 GRAD(Rho)y -0.1560200E-16 GRAD(Rho)z 0.3208627E-17 Laplacian 0.6916241E+00 (-1/4)Del**2(Rho)) -0.1729060E+00 Diamond 0.2195663E+01 Metallicity 0.6804877E+01 Ellipticity 0.4834584E-02 Gb(Abramov) 0.3113714E+00 Vb(Abramov) -0.4498367E+00 Hb(Abramov) -0.1384654E+00 Ex_ueg -0.8628067E-01 Ec_ueg -0.1170620E-01 Delta_ex -0.8128418E-01 Delta_ec 0.1892797E-01 Delta_et -0.2692954E+00 Pxc 0.7370512E+01 Qxc -0.4294394E+01 3,-1 128 3 +1 0.521738 0.495529 1.669091 Rho 0.8495386E-02 |GRAD(Rho)| 0.8339260E-17 GRAD(Rho)x -0.4462208E-17 GRAD(Rho)y 0.7014041E-17 GRAD(Rho)z 0.6596778E-18 Laplacian 0.3576957E-01 (-1/4)Del**2(Rho)) -0.8942393E-02 Diamond 0.9952530E-03 Metallicity 0.6814038E+00 Ellipticity -0.1418096E+01 Gb(Abramov) 0.6977159E-02 Vb(Abramov) -0.5011925E-02 Hb(Abramov) 0.1965234E-02 Ex_ueg -0.1280253E-02 Ec_ueg -0.3003018E-03 Delta_ex -0.1653703E-02 Delta_ec 0.5473668E-03 Delta_et -0.3693563E-02 Pxc 0.4263221E+01 Qxc -0.3021197E+01 3,+1 129 3 +3 2.310550 0.010294 0.018294 Rho 0.4018578E-02 |GRAD(Rho)| 0.1434837E-15 GRAD(Rho)x -0.9856055E-16 GRAD(Rho)y 0.2609114E-16 GRAD(Rho)z -0.1009587E-15 Laplacian 0.1658497E-01 (-1/4)Del**2(Rho)) -0.4146242E-02 Diamond 0.1215913E-03 Metallicity 0.4220389E+00 Ellipticity -0.2984010E+00 Gb(Abramov) 0.3055807E-02 Vb(Abramov) -0.1965372E-02 Hb(Abramov) 0.1090435E-02 Ex_ueg -0.4718619E-03 Ec_ueg -0.1049258E-03 Delta_ex -0.5838504E-03 Delta_ec 0.1522136E-03 Delta_et -0.9263749E-03 Pxc 0.4497101E+01 Qxc -0.3835731E+01 3,+3 130 3 +1 2.031294 1.987610 -1.996711 Rho 0.1243750E-01 |GRAD(Rho)| 0.9818676E-17 GRAD(Rho)x -0.9673153E-17 GRAD(Rho)y 0.1674892E-17 GRAD(Rho)z -0.1768135E-18 Laplacian 0.5920717E-01 (-1/4)Del**2(Rho)) -0.1480179E-01 Diamond 0.2138620E-02 Metallicity 0.7770705E+00 Ellipticity -0.1180524E+01 Gb(Abramov) 0.1178487E-01 Vb(Abramov) -0.8767943E-02 Hb(Abramov) 0.3016925E-02 Ex_ueg -0.2128281E-02 Ec_ueg -0.4798028E-03 Delta_ex -0.2840625E-02 Delta_ec 0.5947392E-03 Delta_et -0.4629651E-02 Pxc 0.4435741E+01 Qxc -0.4776253E+01 3,+1 131 3 -1 0.562827 1.800425 2.763194 Rho 0.1450519E+00 |GRAD(Rho)| 0.5160300E-15 GRAD(Rho)x 0.5065393E-15 GRAD(Rho)y 0.7815742E-16 GRAD(Rho)z -0.5996993E-16 Laplacian 0.6121093E+00 (-1/4)Del**2(Rho)) -0.1530273E+00 Diamond 0.1190737E+01 Metallicity 0.4508060E+01 Ellipticity 0.1154630E-01 Gb(Abramov) 0.2169943E+00 Vb(Abramov) -0.2809612E+00 Hb(Abramov) -0.6396695E-01 Ex_ueg -0.5628804E-01 Ec_ueg -0.8127518E-02 Delta_ex -0.6518869E-01 Delta_ec 0.1564658E-01 Delta_et -0.2072680E+00 Pxc 0.6925613E+01 Qxc -0.4166322E+01 3,-1 132 3 +3 1.784469 -1.835981 1.819953 Rho 0.1210926E-01 |GRAD(Rho)| 0.1387250E-13 GRAD(Rho)x -0.8318085E-14 GRAD(Rho)y 0.7808212E-14 GRAD(Rho)z -0.7892250E-14 Laplacian 0.5526937E-01 (-1/4)Del**2(Rho)) -0.1381734E-01 Diamond 0.1193538E-02 Metallicity 0.7961438E+00 Ellipticity -0.6055163E+00 Gb(Abramov) 0.1104499E-01 Vb(Abramov) -0.8272645E-02 Hb(Abramov) 0.2772349E-02 Ex_ueg -0.2053724E-02 Ec_ueg -0.4646153E-03 Delta_ex -0.2423796E-02 Delta_ec 0.1827666E-03 Delta_et -0.1782339E-02 Pxc 0.4420267E+01 Qxc -0.1326170E+02 3,+3 133 3 -1 2.792304 0.569070 1.810943 Rho 0.1400976E+00 |GRAD(Rho)| 0.4410209E-15 GRAD(Rho)x -0.9947555E-17 GRAD(Rho)y 0.3855558E-15 GRAD(Rho)z -0.2138860E-15 Laplacian 0.5871469E+00 (-1/4)Del**2(Rho)) -0.1467867E+00 Diamond 0.1101866E+01 Metallicity 0.4435243E+01 Ellipticity 0.1490208E-01 Gb(Abramov) 0.2063636E+00 Vb(Abramov) -0.2659405E+00 Hb(Abramov) -0.5957688E-01 Ex_ueg -0.5373936E-01 Ec_ueg -0.7812661E-02 Delta_ex -0.6207154E-01 Delta_ec 0.1526124E-01 Delta_et -0.2013897E+00 Pxc 0.6878497E+01 Qxc -0.4067267E+01 3,-1 134 3 -1 1.958234 -0.847048 2.976139 Rho 0.1428793E+00 |GRAD(Rho)| 0.1141859E-11 GRAD(Rho)x -0.6660388E-12 GRAD(Rho)y -0.7880064E-12 GRAD(Rho)z 0.4891640E-12 Laplacian 0.5680486E+00 (-1/4)Del**2(Rho)) -0.1420121E+00 Diamond 0.1091903E+01 Metallicity 0.4737069E+01 Ellipticity 0.2672580E-01 Gb(Abramov) 0.2067950E+00 Vb(Abramov) -0.2715778E+00 Hb(Abramov) -0.6478285E-01 Ex_ueg -0.5516675E-01 Ec_ueg -0.7989255E-02 Delta_ex -0.6034499E-01 Delta_ec 0.1470192E-01 Delta_et -0.1946004E+00 Pxc 0.6905118E+01 Qxc -0.4104566E+01 3,-1 135 3 +1 2.963589 0.074189 -0.040133 Rho 0.4862472E-02 |GRAD(Rho)| 0.7268618E-17 GRAD(Rho)x 0.2137927E-17 GRAD(Rho)y 0.1267153E-17 GRAD(Rho)z 0.6830549E-17 Laplacian 0.1999944E-01 (-1/4)Del**2(Rho)) -0.4999859E-02 Diamond 0.4920343E-03 Metallicity 0.4808658E+00 Ellipticity -0.5694849E+01 Gb(Abramov) 0.3733950E-02 Vb(Abramov) -0.2468040E-02 Hb(Abramov) 0.1265910E-02 Ex_ueg -0.6084075E-03 Ec_ueg -0.1409992E-03 Delta_ex -0.1030282E-02 Delta_ec 0.7034243E-03 Delta_et -0.3758443E-02 Pxc 0.4314971E+01 Qxc -0.1464667E+01 3,+1 136 3 -1 2.791697 1.834320 0.599348 Rho 0.1359010E+00 |GRAD(Rho)| 0.1777691E-12 GRAD(Rho)x -0.2057802E-13 GRAD(Rho)y 0.1349581E-12 GRAD(Rho)z -0.1138626E-12 Laplacian 0.5721948E+00 (-1/4)Del**2(Rho)) -0.1430487E+00 Diamond 0.1017765E+01 Metallicity 0.4326203E+01 Ellipticity 0.1566791E-01 Gb(Abramov) 0.1985088E+00 Vb(Abramov) -0.2539688E+00 Hb(Abramov) -0.5546005E-01 Ex_ueg -0.5160382E-01 Ec_ueg -0.7547177E-02 Delta_ex -0.5984698E-01 Delta_ec 0.1462702E-01 Delta_et -0.1914116E+00 Pxc 0.6837499E+01 Qxc -0.4091536E+01 3,-1 137 3 +1 -2.916226 -0.208841 -0.178631 Rho 0.5256332E-02 |GRAD(Rho)| 0.8188867E-17 GRAD(Rho)x -0.4847278E-19 GRAD(Rho)y -0.7574407E-17 GRAD(Rho)z 0.3111842E-17 Laplacian 0.2158203E-01 (-1/4)Del**2(Rho)) -0.5395509E-02 Diamond 0.4512250E-03 Metallicity 0.5073707E+00 Ellipticity -0.1767459E+01 Gb(Abramov) 0.4053260E-02 Vb(Abramov) -0.2711011E-02 Hb(Abramov) 0.1342249E-02 Ex_ueg -0.6749870E-03 Ec_ueg -0.1579604E-03 Delta_ex -0.1007846E-02 Delta_ec 0.5445703E-03 Delta_et -0.3056465E-02 Pxc 0.4273140E+01 Qxc -0.1850718E+01 3,+1 138 3 -1 -2.982676 0.856307 2.043958 Rho 0.1356564E+00 |GRAD(Rho)| 0.2329528E-15 GRAD(Rho)x -0.9306520E-16 GRAD(Rho)y -0.5973954E-16 GRAD(Rho)z -0.2050294E-15 Laplacian 0.5390654E+00 (-1/4)Del**2(Rho)) -0.1347663E+00 Diamond 0.9568541E+00 Metallicity 0.4578315E+01 Ellipticity 0.5646701E-01 Gb(Abramov) 0.1926780E+00 Vb(Abramov) -0.2505897E+00 Hb(Abramov) -0.5791168E-01 Ex_ueg -0.5148004E-01 Ec_ueg -0.7531741E-02 Delta_ex -0.5635821E-01 Delta_ec 0.1378799E-01 Delta_et -0.1803862E+00 Pxc 0.6835078E+01 Qxc -0.4087487E+01 3,-1 139 3 -1 -1.981213 2.940476 0.839761 Rho 0.1185872E+00 |GRAD(Rho)| 0.2822246E-11 GRAD(Rho)x 0.2057017E-11 GRAD(Rho)y -0.1054699E-11 GRAD(Rho)z 0.1619062E-11 Laplacian 0.4756609E+00 (-1/4)Del**2(Rho)) -0.1189152E+00 Diamond 0.7271913E+00 Metallicity 0.4146788E+01 Ellipticity 0.1186403E-01 Gb(Abramov) 0.1614629E+00 Vb(Abramov) -0.2040105E+00 Hb(Abramov) -0.4254763E-01 Ex_ueg -0.4302973E-01 Ec_ueg -0.6464148E-02 Delta_ex -0.4826362E-01 Delta_ec 0.1277971E-01 Delta_et -0.1639347E+00 Pxc 0.6656675E+01 Qxc -0.3776580E+01 3,-1 140 3 -1 -0.588792 1.762727 -2.760153 Rho 0.1535240E+00 |GRAD(Rho)| 0.2812054E-15 GRAD(Rho)x 0.2315585E-15 GRAD(Rho)y 0.1340887E-15 GRAD(Rho)z -0.8647190E-16 Laplacian 0.6600474E+00 (-1/4)Del**2(Rho)) -0.1650119E+00 Diamond 0.1369853E+01 Metallicity 0.4595488E+01 Ellipticity 0.2053555E-01 Gb(Abramov) 0.2363929E+00 Vb(Abramov) -0.3077739E+00 Hb(Abramov) -0.7138104E-01 Ex_ueg -0.6071369E-01 Ec_ueg -0.8669478E-02 Delta_ex -0.7123553E-01 Delta_ec 0.1655433E-01 Delta_et -0.2208447E+00 Pxc 0.7003153E+01 Qxc -0.4303135E+01 3,-1 141 3 -1 -0.845742 1.979792 3.006023 Rho 0.1448827E+00 |GRAD(Rho)| 0.1170125E-14 GRAD(Rho)x -0.1144890E-14 GRAD(Rho)y -0.5973954E-16 GRAD(Rho)z 0.2342012E-15 Laplacian 0.5750904E+00 (-1/4)Del**2(Rho)) -0.1437726E+00 Diamond 0.1123018E+01 Metallicity 0.4788926E+01 Ellipticity 0.3752396E-01 Gb(Abramov) 0.2106011E+00 Vb(Abramov) -0.2774297E+00 Hb(Abramov) -0.6682853E-01 Ex_ueg -0.5620055E-01 Ec_ueg -0.8116745E-02 Delta_ex -0.6128989E-01 Delta_ec 0.1481370E-01 Delta_et -0.1964413E+00 Pxc 0.6924026E+01 Qxc -0.4137379E+01 3,-1 142 3 -1 -0.500647 1.692910 1.693282 Rho 0.4191144E-01 |GRAD(Rho)| 0.5018079E-16 GRAD(Rho)x 0.6405475E-17 GRAD(Rho)y -0.1249924E-16 GRAD(Rho)z 0.4817521E-16 Laplacian 0.1665851E+00 (-1/4)Del**2(Rho)) -0.4164628E-01 Diamond 0.6579853E-01 Metallicity 0.2091853E+01 Ellipticity 0.2944884E-01 Gb(Abramov) 0.4228384E-01 Vb(Abramov) -0.4292139E-01 Hb(Abramov) -0.6375568E-03 Ex_ueg -0.1075214E-01 Ec_ueg -0.1972905E-02 Delta_ex -0.1308520E-01 Delta_ec 0.4907960E-02 Delta_et -0.4938338E-01 Pxc 0.5449904E+01 Qxc -0.2666119E+01 3,-1 143 3 -1 -0.570981 2.757930 -1.777953 Rho 0.1472034E+00 |GRAD(Rho)| 0.5103694E-14 GRAD(Rho)x 0.3597600E-14 GRAD(Rho)y -0.5459093E-15 GRAD(Rho)z -0.3578680E-14 Laplacian 0.6126629E+00 (-1/4)Del**2(Rho)) -0.1531657E+00 Diamond 0.1211805E+01 Metallicity 0.4615882E+01 Ellipticity 0.1111028E-01 Gb(Abramov) 0.2199430E+00 Vb(Abramov) -0.2867202E+00 Hb(Abramov) -0.6677723E-01 Ex_ueg -0.5740401E-01 Ec_ueg -0.8264733E-02 Delta_ex -0.6547043E-01 Delta_ec 0.1558072E-01 Delta_et -0.2067794E+00 Pxc 0.6945658E+01 Qxc -0.4202016E+01 3,-1 144 3 -1 -0.844036 2.970489 1.990157 Rho 0.1570292E+00 |GRAD(Rho)| 0.3876620E-15 GRAD(Rho)x -0.3230922E-15 GRAD(Rho)y 0.2094136E-15 GRAD(Rho)z -0.4515702E-16 Laplacian 0.6199021E+00 (-1/4)Del**2(Rho)) -0.1549755E+00 Diamond 0.1328000E+01 Metallicity 0.5080706E+01 Ellipticity 0.4223383E-01 Gb(Abramov) 0.2345479E+00 Vb(Abramov) -0.3141202E+00 Hb(Abramov) -0.7957233E-01 Ex_ueg -0.6256896E-01 Ec_ueg -0.8894991E-02 Delta_ex -0.6733450E-01 Delta_ec 0.1556154E-01 Delta_et -0.2084710E+00 Pxc 0.7034179E+01 Qxc -0.4326982E+01 3,-1 145 3 -1 -0.065409 3.133179 -3.174849 Rho 0.2455652E+00 |GRAD(Rho)| 0.4074523E-10 GRAD(Rho)x -0.6396694E-11 GRAD(Rho)y 0.2826303E-10 GRAD(Rho)z -0.2864363E-10 Laplacian 0.9000841E+00 (-1/4)Del**2(Rho)) -0.2250210E+00 Diamond 0.3260878E+01 Metallicity 0.7372388E+01 Ellipticity 0.2020171E-02 Gb(Abramov) 0.4265044E+00 Vb(Abramov) -0.6279878E+00 Hb(Abramov) -0.2014834E+00 Ex_ueg -0.1135728E+00 Ec_ueg -0.1482467E-01 Delta_ex -0.1093429E+00 Delta_ec 0.1964193E-01 Delta_et -0.2717847E+00 Pxc 0.7661066E+01 Qxc -0.5566809E+01 3,-1 146 3 -1 0.059872 3.188671 3.205444 Rho 0.2449534E+00 |GRAD(Rho)| 0.1811465E-15 GRAD(Rho)x -0.4830121E-16 GRAD(Rho)y 0.5377643E-16 GRAD(Rho)z 0.1660998E-15 Laplacian 0.8915874E+00 (-1/4)Del**2(Rho)) -0.2228968E+00 Diamond 0.3227692E+01 Metallicity 0.7411764E+01 Ellipticity 0.3754855E-02 Gb(Abramov) 0.4239410E+00 Vb(Abramov) -0.6249852E+00 Hb(Abramov) -0.2010442E+00 Ex_ueg -0.1131956E+00 Ec_ueg -0.1478220E-01 Delta_ex -0.1082776E+00 Delta_ec 0.1953846E-01 Delta_et -0.2706427E+00 Pxc 0.7657564E+01 Qxc -0.5541768E+01 3,-1 147 3 +1 1.375589 2.051129 -0.969103 Rho 0.2273992E-01 |GRAD(Rho)| 0.1990517E-16 GRAD(Rho)x 0.7138850E-18 GRAD(Rho)y 0.1031328E-16 GRAD(Rho)z -0.1701007E-16 Laplacian 0.8777563E-01 (-1/4)Del**2(Rho)) -0.2194391E-01 Diamond 0.9383816E-02 Metallicity 0.1432917E+01 Ellipticity -0.2595946E+01 Gb(Abramov) 0.1986990E-01 Vb(Abramov) -0.1779590E-01 Hb(Abramov) 0.2074004E-02 Ex_ueg -0.4758138E-02 Ec_ueg -0.9756101E-03 Delta_ex -0.5237779E-02 Delta_ec 0.1337039E-02 Delta_et -0.1157500E-01 Pxc 0.4877090E+01 Qxc -0.3917446E+01 3,+1 148 3 -1 2.745488 -1.834414 -0.613061 Rho 0.1376949E+00 |GRAD(Rho)| 0.1276400E-14 GRAD(Rho)x -0.1430876E-15 GRAD(Rho)y -0.1105669E-14 GRAD(Rho)z 0.6214647E-15 Laplacian 0.5700769E+00 (-1/4)Del**2(Rho)) -0.1425192E+00 Diamond 0.1049795E+01 Metallicity 0.4438225E+01 Ellipticity 0.1235559E-01 Gb(Abramov) 0.2004349E+00 Vb(Abramov) -0.2583505E+00 Hb(Abramov) -0.5791565E-01 Ex_ueg -0.5251403E-01 Ec_ueg -0.7660523E-02 Delta_ex -0.6003619E-01 Delta_ec 0.1491897E-01 Delta_et -0.1964298E+00 Pxc 0.6855150E+01 Qxc -0.4024150E+01 3,-1 149 3 -1 3.099355 -3.254279 -0.124534 Rho 0.2414560E+00 |GRAD(Rho)| 0.3173307E-15 GRAD(Rho)x 0.8380883E-16 GRAD(Rho)y -0.3036850E-15 GRAD(Rho)z -0.3808260E-16 Laplacian 0.8781795E+00 (-1/4)Del**2(Rho)) -0.2195449E+00 Diamond 0.3126027E+01 Metallicity 0.7346713E+01 Ellipticity 0.1105295E-01 Gb(Abramov) 0.4151854E+00 Vb(Abramov) -0.6108260E+00 Hb(Abramov) -0.1956406E+00 Ex_ueg -0.1110458E+00 Ec_ueg -0.1453982E-01 Delta_ex -0.1062563E+00 Delta_ec 0.1934101E-01 Delta_et -0.2678541E+00 Pxc 0.7637361E+01 Qxc -0.5493837E+01 3,-1 150 3 -1 3.294595 -0.017059 -3.177786 Rho 0.2454755E+00 |GRAD(Rho)| 0.7047386E-16 GRAD(Rho)x -0.4662069E-16 GRAD(Rho)y 0.9798477E-17 GRAD(Rho)z 0.5193328E-16 Laplacian 0.8838783E+00 (-1/4)Del**2(Rho)) -0.2209696E+00 Diamond 0.3213474E+01 Metallicity 0.7502988E+01 Ellipticity 0.2595281E-02 Gb(Abramov) 0.4236350E+00 Vb(Abramov) -0.6263005E+00 Hb(Abramov) -0.2026655E+00 Ex_ueg -0.1135174E+00 Ec_ueg -0.1481844E-01 Delta_ex -0.1074296E+00 Delta_ec 0.1940767E-01 Delta_et -0.2690766E+00 Pxc 0.7660553E+01 Qxc -0.5535418E+01 3,-1 151 3 -1 3.199443 0.021600 3.183294 Rho 0.2456564E+00 |GRAD(Rho)| 0.5551986E-15 GRAD(Rho)x 0.4863731E-15 GRAD(Rho)y 0.8871484E-16 GRAD(Rho)z 0.2526191E-15 Laplacian 0.8839701E+00 (-1/4)Del**2(Rho)) -0.2209925E+00 Diamond 0.3219201E+01 Metallicity 0.7511427E+01 Ellipticity 0.4673182E-02 Gb(Abramov) 0.4239899E+00 Vb(Abramov) -0.6269873E+00 Hb(Abramov) -0.2029974E+00 Ex_ueg -0.1136290E+00 Ec_ueg -0.1483100E-01 Delta_ex -0.1074746E+00 Delta_ec 0.1942881E-01 Delta_et -0.2694817E+00 Pxc 0.7661587E+01 Qxc -0.5531711E+01 3,-1 152 3 -1 3.008310 0.835789 -1.952694 Rho 0.1384698E+00 |GRAD(Rho)| 0.1291904E-14 GRAD(Rho)x -0.1254286E-16 GRAD(Rho)y -0.7226479E-15 GRAD(Rho)z -0.1070812E-14 Laplacian 0.5646353E+00 (-1/4)Del**2(Rho)) -0.1411588E+00 Diamond 0.1041372E+01 Metallicity 0.4523107E+01 Ellipticity 0.2798422E-01 Gb(Abramov) 0.2005186E+00 Vb(Abramov) -0.2598784E+00 Hb(Abramov) -0.5935981E-01 Ex_ueg -0.5290846E-01 Ec_ueg -0.7709551E-02 Delta_ex -0.5948388E-01 Delta_ec 0.1464898E-01 Delta_et -0.1928247E+00 Pxc 0.6862716E+01 Qxc -0.4060614E+01 3,-1 153 3 -1 -2.985020 -0.937867 -2.035469 Rho 0.1310909E+00 |GRAD(Rho)| 0.2846765E-15 GRAD(Rho)x -0.1815361E-15 GRAD(Rho)y -0.2154174E-15 GRAD(Rho)z 0.4099639E-16 Laplacian 0.5095939E+00 (-1/4)Del**2(Rho)) -0.1273985E+00 Diamond 0.8950257E+00 Metallicity 0.4574493E+01 Ellipticity 0.2351535E-01 Gb(Abramov) 0.1820629E+00 Vb(Abramov) -0.2367273E+00 Hb(Abramov) -0.5466442E-01 Ex_ueg -0.4918299E-01 Ec_ueg -0.7244282E-02 Delta_ex -0.5315713E-01 Delta_ec 0.1371605E-01 Delta_et -0.1795970E+00 Pxc 0.6789216E+01 Qxc -0.3875543E+01 3,-1 154 3 -1 -2.798866 -0.553993 1.860383 Rho 0.1354244E+00 |GRAD(Rho)| 0.2125987E-13 GRAD(Rho)x 0.5181104E-14 GRAD(Rho)y -0.2056418E-13 GRAD(Rho)z 0.1500861E-14 Laplacian 0.5664920E+00 (-1/4)Del**2(Rho)) -0.1416230E+00 Diamond 0.1002429E+01 Metallicity 0.4344245E+01 Ellipticity 0.1404951E-01 Gb(Abramov) 0.1969562E+00 Vb(Abramov) -0.2522893E+00 Hb(Abramov) -0.5533316E-01 Ex_ueg -0.5136268E-01 Ec_ueg -0.7517100E-02 Delta_ex -0.5918904E-01 Delta_ec 0.1447428E-01 Delta_et -0.1892728E+00 Pxc 0.6832778E+01 Qxc -0.4089257E+01 3,-1 155 3 -1 -2.011814 -3.080523 -0.712870 Rho 0.1542654E+00 |GRAD(Rho)| 0.2389771E-15 GRAD(Rho)x -0.1957391E-15 GRAD(Rho)y 0.7779151E-16 GRAD(Rho)z -0.1128926E-15 Laplacian 0.5806238E+00 (-1/4)Del**2(Rho)) -0.1451559E+00 Diamond 0.1245219E+01 Metallicity 0.5266225E+01 Ellipticity 0.1172814E+00 Gb(Abramov) 0.2241746E+00 Vb(Abramov) -0.3031933E+00 Hb(Abramov) -0.7901867E-01 Ex_ueg -0.6110498E-01 Ec_ueg -0.8717121E-02 Delta_ex -0.6305700E-01 Delta_ec 0.1511367E-01 Delta_et -0.2031294E+00 Pxc 0.7009766E+01 Qxc -0.4172183E+01 3,-1 156 3 -1 0.438351 -1.702546 1.679761 Rho 0.4131777E-01 |GRAD(Rho)| 0.7548569E-16 GRAD(Rho)x -0.1325289E-16 GRAD(Rho)y -0.7015085E-16 GRAD(Rho)z 0.2452160E-16 Laplacian 0.1624861E+00 (-1/4)Del**2(Rho)) -0.4062152E-01 Diamond 0.6277768E-01 Metallicity 0.2094234E+01 Ellipticity 0.1424043E-01 Gb(Abramov) 0.4125951E-01 Vb(Abramov) -0.4189749E-01 Hb(Abramov) -0.6379871E-03 Ex_ueg -0.1054956E-01 Ec_ueg -0.1940895E-02 Delta_ex -0.1270858E-01 Delta_ec 0.4770916E-02 Delta_et -0.4781937E-01 Pxc 0.5435408E+01 Qxc -0.2663761E+01 3,-1 157 3 +1 -0.236322 -2.244098 -1.068040 Rho 0.7412414E-02 |GRAD(Rho)| 0.1838226E-16 GRAD(Rho)x -0.1535840E-16 GRAD(Rho)y 0.9889957E-17 GRAD(Rho)z 0.2053208E-17 Laplacian 0.2992709E-01 (-1/4)Del**2(Rho)) -0.7481774E-02 Diamond 0.9195272E-03 Metallicity 0.6488556E+00 Ellipticity -0.1890151E+01 Gb(Abramov) 0.5796947E-02 Vb(Abramov) -0.4112121E-02 Hb(Abramov) 0.1684826E-02 Ex_ueg -0.1067410E-02 Ec_ueg -0.2521617E-03 Delta_ex -0.1462802E-02 Delta_ec 0.6813531E-03 Delta_et -0.4261437E-02 Pxc 0.4233038E+01 Qxc -0.2146907E+01 3,+1 158 3 -1 0.808539 -1.961925 2.991399 Rho 0.1416332E+00 |GRAD(Rho)| 0.1706242E-13 GRAD(Rho)x 0.6808708E-14 GRAD(Rho)y 0.1380881E-13 GRAD(Rho)z -0.7354225E-14 Laplacian 0.5680434E+00 (-1/4)Del**2(Rho)) -0.1420108E+00 Diamond 0.1076418E+01 Metallicity 0.4668461E+01 Ellipticity 0.3365624E-01 Gb(Abramov) 0.2051692E+00 Vb(Abramov) -0.2683276E+00 Hb(Abramov) -0.6315839E-01 Ex_ueg -0.5452621E-01 Ec_ueg -0.7910091E-02 Delta_ex -0.6017226E-01 Delta_ec 0.1465552E-01 Delta_et -0.1935684E+00 Pxc 0.6893247E+01 Qxc -0.4105775E+01 3,-1 159 3 -1 1.134353 -2.292652 -2.034415 Rho 0.4622140E-01 |GRAD(Rho)| 0.2262493E-16 GRAD(Rho)x 0.1347995E-16 GRAD(Rho)y 0.3784779E-17 GRAD(Rho)z -0.1777227E-16 Laplacian 0.1256267E+00 (-1/4)Del**2(Rho)) -0.3140668E-01 Diamond 0.8863841E-01 Metallicity 0.3265399E+01 Ellipticity 0.1528051E-01 Gb(Abramov) 0.3803035E-01 Vb(Abramov) -0.4465401E-01 Hb(Abramov) -0.6623664E-02 Ex_ueg -0.1225112E-01 Ec_ueg -0.2207096E-02 Delta_ex -0.1164181E-01 Delta_ec 0.6429132E-02 Delta_et -0.6699927E-01 Pxc 0.5550787E+01 Qxc -0.1810790E+01 3,-1 160 3 -1 1.691642 0.458365 -1.708132 Rho 0.3619255E-01 |GRAD(Rho)| 0.8051565E-16 GRAD(Rho)x -0.6726013E-16 GRAD(Rho)y 0.2800333E-16 GRAD(Rho)z 0.3427328E-16 Laplacian 0.1404517E+00 (-1/4)Del**2(Rho)) -0.3511293E-01 Diamond 0.4487730E-01 Metallicity 0.1942905E+01 Ellipticity 0.2824115E-01 Gb(Abramov) 0.3477880E-01 Vb(Abramov) -0.3444467E-01 Hb(Abramov) 0.3341313E-03 Ex_ueg -0.8841868E-02 Ec_ueg -0.1667232E-02 Delta_ex -0.1060103E-01 Delta_ec 0.4075004E-02 Delta_et -0.3940830E-01 Pxc 0.5303322E+01 Qxc -0.2601478E+01 3,-1 161 3 -1 1.805577 0.550758 2.750972 Rho 0.1336972E+00 |GRAD(Rho)| 0.3355995E-12 GRAD(Rho)x 0.2461644E-12 GRAD(Rho)y -0.2206782E-12 GRAD(Rho)z -0.5771712E-13 Laplacian 0.5628460E+00 (-1/4)Del**2(Rho)) -0.1407115E+00 Diamond 0.9956896E+00 Metallicity 0.4279839E+01 Ellipticity 0.1174082E-01 Gb(Abramov) 0.1941781E+00 Vb(Abramov) -0.2476447E+00 Hb(Abramov) -0.5346658E-01 Ex_ueg -0.5049109E-01 Ec_ueg -0.7408216E-02 Delta_ex -0.5879848E-01 Delta_ec 0.1473611E-01 Delta_et -0.1929326E+00 Pxc 0.6815553E+01 Qxc -0.3990094E+01 3,-1 162 3 -1 2.020379 0.817997 -2.970254 Rho 0.1457903E+00 |GRAD(Rho)| 0.2368114E-15 GRAD(Rho)x 0.2272081E-15 GRAD(Rho)y 0.4370690E-16 GRAD(Rho)z -0.5045606E-16 Laplacian 0.5782977E+00 (-1/4)Del**2(Rho)) -0.1445744E+00 Diamond 0.1139335E+01 Metallicity 0.4812189E+01 Ellipticity 0.3299111E-01 Gb(Abramov) 0.2123362E+00 Vb(Abramov) -0.2800980E+00 Hb(Abramov) -0.6776177E-01 Ex_ueg -0.5667043E-01 Ec_ueg -0.8174578E-02 Delta_ex -0.6174191E-01 Delta_ec 0.1490217E-01 Delta_et -0.1978579E+00 Pxc 0.6932520E+01 Qxc -0.4143148E+01 3,-1 163 3 -1 -1.870562 -2.754016 0.620658 Rho 0.1281977E+00 |GRAD(Rho)| 0.4511775E-15 GRAD(Rho)x 0.3811106E-15 GRAD(Rho)y -0.1102498E-16 GRAD(Rho)z 0.2412350E-15 Laplacian 0.5364986E+00 (-1/4)Del**2(Rho)) -0.1341247E+00 Diamond 0.9085222E+00 Metallicity 0.4186439E+01 Ellipticity 0.2113960E-01 Gb(Abramov) 0.1830006E+00 Vb(Abramov) -0.2318764E+00 Hb(Abramov) -0.4887589E-01 Ex_ueg -0.4774104E-01 Ec_ueg -0.7062829E-02 Delta_ex -0.5555681E-01 Delta_ec 0.1432292E-01 Delta_et -0.1864971E+00 Pxc 0.6759479E+01 Qxc -0.3878874E+01 3,-1 164 3 -1 -2.101955 -0.908606 -3.219395 Rho 0.2354338E+00 |GRAD(Rho)| 0.3352208E-15 GRAD(Rho)x 0.9063930E-16 GRAD(Rho)y 0.1966201E-15 GRAD(Rho)z 0.2559259E-15 Laplacian 0.9044485E+00 (-1/4)Del**2(Rho)) -0.2261121E+00 Diamond 0.3083026E+01 Metallicity 0.6839284E+01 Ellipticity 0.1887298E-01 Gb(Abramov) 0.4084822E+00 Vb(Abramov) -0.5908523E+00 Hb(Abramov) -0.1823701E+00 Ex_ueg -0.1073685E+00 Ec_ueg -0.1412403E-01 Delta_ex -0.1084966E+00 Delta_ec 0.1967781E-01 Delta_et -0.2705887E+00 Pxc 0.7601827E+01 Qxc -0.5513650E+01 3,-1 165 3 -1 -1.734822 -0.560192 -1.737803 Rho 0.4567923E-01 |GRAD(Rho)| 0.1849310E-15 GRAD(Rho)x -0.1299586E-15 GRAD(Rho)y 0.4190844E-16 GRAD(Rho)z -0.1247154E-15 Laplacian 0.1822037E+00 (-1/4)Del**2(Rho)) -0.4555093E-01 Diamond 0.8327776E-01 Metallicity 0.2207600E+01 Ellipticity 0.1174615E-01 Gb(Abramov) 0.4712700E-01 Vb(Abramov) -0.4870306E-01 Hb(Abramov) -0.1576065E-02 Ex_ueg -0.1205989E-01 Ec_ueg -0.2177467E-02 Delta_ex -0.1473874E-01 Delta_ec 0.5570825E-02 Delta_et -0.5739287E-01 Pxc 0.5538495E+01 Qxc -0.2645702E+01 3,-1 166 3 -1 -1.831522 -0.557604 2.835342 Rho 0.1352435E+00 |GRAD(Rho)| 0.3268336E-15 GRAD(Rho)x 0.2401643E-15 GRAD(Rho)y -0.2192392E-15 GRAD(Rho)z 0.3279373E-16 Laplacian 0.5689934E+00 (-1/4)Del**2(Rho)) -0.1422484E+00 Diamond 0.1003914E+01 Metallicity 0.4315523E+01 Ellipticity 0.1978142E-01 Gb(Abramov) 0.1971449E+00 Vb(Abramov) -0.2520414E+00 Hb(Abramov) -0.5489654E-01 Ex_ueg -0.5127123E-01 Ec_ueg -0.7505688E-02 Delta_ex -0.5941590E-01 Delta_ec 0.1451585E-01 Delta_et -0.1897232E+00 Pxc 0.6830983E+01 Qxc -0.4093175E+01 3,-1 167 3 -1 -0.472566 -0.382272 -0.377268 Rho 0.2070337E+00 |GRAD(Rho)| 0.6237854E-13 GRAD(Rho)x 0.4080331E-13 GRAD(Rho)y 0.3338523E-13 GRAD(Rho)z 0.3334065E-13 Laplacian 0.7665858E+00 (-1/4)Del**2(Rho)) -0.1916465E+00 Diamond 0.2499907E+01 Metallicity 0.6513096E+01 Ellipticity 0.3391770E-01 Gb(Abramov) 0.3357996E+00 Vb(Abramov) -0.4799527E+00 Hb(Abramov) -0.1441531E+00 Ex_ueg -0.9045650E-01 Ec_ueg -0.1219009E-01 Delta_ex -0.9063451E-01 Delta_ec 0.2033193E-01 Delta_et -0.2891492E+00 Pxc 0.7420493E+01 Qxc -0.4457743E+01 3,-1 168 3 -1 1.657240 -0.527841 1.663282 Rho 0.3553778E-01 |GRAD(Rho)| 0.1114001E-13 GRAD(Rho)x 0.7598576E-14 GRAD(Rho)y 0.3523371E-14 GRAD(Rho)z 0.7344879E-14 Laplacian 0.1374307E+00 (-1/4)Del**2(Rho)) -0.3435768E-01 Diamond 0.4254651E-01 Metallicity 0.1926105E+01 Ellipticity 0.4130400E-01 Gb(Abramov) 0.3393454E-01 Vb(Abramov) -0.3351139E-01 Hb(Abramov) 0.4231443E-03 Ex_ueg -0.8629233E-02 Ec_ueg -0.1632633E-02 Delta_ex -0.1030672E-01 Delta_ec 0.3952807E-02 Delta_et -0.3803617E-01 Pxc 0.5285469E+01 Qxc -0.2607443E+01 3,-1 169 3 -1 2.826570 -0.580933 -1.800643 Rho 0.1446451E+00 |GRAD(Rho)| 0.1759014E-15 GRAD(Rho)x 0.4958870E-16 GRAD(Rho)y 0.1683630E-15 GRAD(Rho)z -0.1166873E-16 Laplacian 0.5991393E+00 (-1/4)Del**2(Rho)) -0.1497848E+00 Diamond 0.1165827E+01 Metallicity 0.4584141E+01 Ellipticity 0.1448919E-01 Gb(Abramov) 0.2142957E+00 Vb(Abramov) -0.2788065E+00 Hb(Abramov) -0.6451086E-01 Ex_ueg -0.5607765E-01 Ec_ueg -0.8101606E-02 Delta_ex -0.6380796E-01 Delta_ec 0.1540490E-01 Delta_et -0.2041570E+00 Pxc 0.6921795E+01 Qxc -0.4142056E+01 3,-1 170 3 -1 2.951457 -0.862050 1.961722 Rho 0.1709075E+00 |GRAD(Rho)| 0.6323507E-15 GRAD(Rho)x 0.2876659E-15 GRAD(Rho)y -0.5533768E-15 GRAD(Rho)z -0.1043545E-15 Laplacian 0.6756143E+00 (-1/4)Del**2(Rho)) -0.1689036E+00 Diamond 0.1595799E+01 Metallicity 0.5368456E+01 Ellipticity 0.5027936E-01 Gb(Abramov) 0.2637276E+00 Vb(Abramov) -0.3585516E+00 Hb(Abramov) -0.9482403E-01 Ex_ueg -0.7004865E-01 Ec_ueg -0.9795065E-02 Delta_ex -0.7489320E-01 Delta_ec 0.1650034E-01 Delta_et -0.2231024E+00 Pxc 0.7151422E+01 Qxc -0.4538888E+01 3,-1 171 3 -1 -0.595549 -1.794047 2.821890 Rho 0.1389996E+00 |GRAD(Rho)| 0.4549859E-15 GRAD(Rho)x -0.2343910E-15 GRAD(Rho)y 0.3700789E-15 GRAD(Rho)z 0.1229418E-15 Laplacian 0.5771718E+00 (-1/4)Del**2(Rho)) -0.1442929E+00 Diamond 0.1071575E+01 Metallicity 0.4453114E+01 Ellipticity 0.1196406E-01 Gb(Abramov) 0.2032875E+00 Vb(Abramov) -0.2622820E+00 Hb(Abramov) -0.5899451E-01 Ex_ueg -0.5317853E-01 Ec_ueg -0.7743090E-02 Delta_ex -0.6088517E-01 Delta_ec 0.1500341E-01 Delta_et -0.1976937E+00 Pxc 0.6867869E+01 Qxc -0.4058088E+01 3,-1 172 3 -1 0.009583 -3.261039 -1.253149 Rho 0.3821341E-01 |GRAD(Rho)| 0.2619551E-16 GRAD(Rho)x -0.2339456E-16 GRAD(Rho)y 0.1002328E-16 GRAD(Rho)z -0.6199441E-17 Laplacian 0.1126239E+00 (-1/4)Del**2(Rho)) -0.2815597E-01 Diamond 0.6310311E-01 Metallicity 0.2652624E+01 Ellipticity 0.2494079E-02 Gb(Abramov) 0.3121851E-01 Vb(Abramov) -0.3428105E-01 Hb(Abramov) -0.3062542E-02 Ex_ueg -0.9506181E-02 Ec_ueg -0.1774546E-02 Delta_ex -0.1011824E-01 Delta_ec 0.5948837E-02 Delta_et -0.5861482E-01 Pxc 0.5356964E+01 Qxc -0.1700877E+01 3,-1 173 3 -1 1.145551 -1.771189 -2.609544 Rho 0.3072043E+00 |GRAD(Rho)| 0.9737925E-15 GRAD(Rho)x 0.1163468E-15 GRAD(Rho)y 0.5230755E-15 GRAD(Rho)z 0.8130974E-15 Laplacian -0.1538798E+01 (-1/4)Del**2(Rho)) 0.3846996E+00 Diamond 0.5230300E+01 Metallicity -0.6263402E+01 Ellipticity 0.3274263E-02 Gb(Abramov) 0.1451216E+00 Vb(Abramov) -0.6749428E+00 Hb(Abramov) -0.5298212E+00 Ex_ueg -0.1530928E+00 Ec_ueg -0.1920860E-01 Delta_ex 0.1503784E+00 Delta_ec 0.5444245E-01 Delta_et -0.1268164E+01 Pxc 0.7970012E+01 Qxc 0.2762154E+01 3,-1 174 3 -1 -0.077928 -3.187778 3.220615 Rho 0.2460587E+00 |GRAD(Rho)| 0.5791704E-15 GRAD(Rho)x 0.8711564E-16 GRAD(Rho)y 0.4604607E-15 GRAD(Rho)z -0.3403311E-15 Laplacian 0.8936684E+00 (-1/4)Del**2(Rho)) -0.2234171E+00 Diamond 0.3252462E+01 Metallicity 0.7450199E+01 Ellipticity 0.1773229E-02 Gb(Abramov) 0.4263617E+00 Vb(Abramov) -0.6293063E+00 Hb(Abramov) -0.2029446E+00 Ex_ueg -0.1138772E+00 Ec_ueg -0.1485894E-01 Delta_ex -0.1086566E+00 Delta_ec 0.1955443E-01 Delta_et -0.2708822E+00 Pxc 0.7663883E+01 Qxc -0.5556623E+01 3,-1 175 3 -1 1.934937 -0.620847 -2.830422 Rho 0.1565793E+00 |GRAD(Rho)| 0.3934625E-15 GRAD(Rho)x 0.3744292E-15 GRAD(Rho)y 0.4076600E-16 GRAD(Rho)z 0.1138141E-15 Laplacian 0.5989264E+00 (-1/4)Del**2(Rho)) -0.1497316E+00 Diamond 0.1301246E+01 Metallicity 0.5233558E+01 Ellipticity 0.1125771E+00 Gb(Abramov) 0.2304259E+00 Vb(Abramov) -0.3111202E+00 Hb(Abramov) -0.8069430E-01 Ex_ueg -0.6233007E-01 Ec_ueg -0.8866007E-02 Delta_ex -0.6522252E-01 Delta_ec 0.1542533E-01 Delta_et -0.2074990E+00 Pxc 0.7030230E+01 Qxc -0.4228273E+01 3,-1 176 3 -1 -0.627148 -2.762147 1.858856 Rho 0.1549512E+00 |GRAD(Rho)| 0.1929942E-13 GRAD(Rho)x -0.1855176E-13 GRAD(Rho)y 0.5139627E-14 GRAD(Rho)z 0.1372627E-14 Laplacian 0.6564164E+00 (-1/4)Del**2(Rho)) -0.1641041E+00 Diamond 0.1381029E+01 Metallicity 0.4692727E+01 Ellipticity 0.2152078E-01 Gb(Abramov) 0.2377520E+00 Vb(Abramov) -0.3113999E+00 Hb(Abramov) -0.7364792E-01 Ex_ueg -0.6146742E-01 Ec_ueg -0.8761211E-02 Delta_ex -0.7103903E-01 Delta_ec 0.1648443E-01 Delta_et -0.2203269E+00 Pxc 0.7015858E+01 Qxc -0.4309462E+01 3,-1 177 3 -1 0.808384 -2.971899 1.993208 Rho 0.1467733E+00 |GRAD(Rho)| 0.1140953E-15 GRAD(Rho)x 0.1119303E-15 GRAD(Rho)y -0.6329030E-17 GRAD(Rho)z -0.2119615E-16 Laplacian 0.5842263E+00 (-1/4)Del**2(Rho)) -0.1460566E+00 Diamond 0.1153681E+01 Metallicity 0.4817008E+01 Ellipticity 0.4390417E-01 Gb(Abramov) 0.2146303E+00 Vb(Abramov) -0.2832041E+00 Hb(Abramov) -0.6857376E-01 Ex_ueg -0.5718050E-01 Ec_ueg -0.8237283E-02 Delta_ex -0.6240916E-01 Delta_ec 0.1490814E-01 Delta_et -0.1978604E+00 Pxc 0.6941671E+01 Qxc -0.4186247E+01 3,-1 178 3 -1 2.886412 -2.007730 0.784869 Rho 0.1028218E+00 |GRAD(Rho)| 0.3630607E-15 GRAD(Rho)x -0.3002732E-15 GRAD(Rho)y -0.1462589E-15 GRAD(Rho)z -0.1423286E-15 Laplacian 0.4124794E+00 (-1/4)Del**2(Rho)) -0.1031198E+00 Diamond 0.5296679E+00 Metallicity 0.3770104E+01 Ellipticity 0.6256924E-02 Gb(Abramov) 0.1335420E+00 Vb(Abramov) -0.1639641E+00 Hb(Abramov) -0.3042213E-01 Ex_ueg -0.3557669E-01 Ec_ueg -0.5496304E-02 Delta_ex -0.4044498E-01 Delta_ec 0.1140623E-01 Delta_et -0.1424346E+00 Pxc 0.6472839E+01 Qxc -0.3545867E+01 3,-1 179 3 -1 -3.233151 0.037767 -3.194362 Rho 0.2370126E+00 |GRAD(Rho)| 0.3170542E-15 GRAD(Rho)x 0.7274997E-16 GRAD(Rho)y -0.2416687E-15 GRAD(Rho)z 0.1919038E-15 Laplacian 0.8705522E+00 (-1/4)Del**2(Rho)) -0.2176381E+00 Diamond 0.3029760E+01 Metallicity 0.7185176E+01 Ellipticity 0.2155585E-01 Gb(Abramov) 0.4057200E+00 Vb(Abramov) -0.5938020E+00 Hb(Abramov) -0.1880820E+00 Ex_ueg -0.1083296E+00 Ec_ueg -0.1423285E-01 Delta_ex -0.1048205E+00 Delta_ec 0.1927293E-01 Delta_et -0.2667155E+00 Pxc 0.7611236E+01 Qxc -0.5438743E+01 3,-1 180 3 -1 -3.207217 -0.048731 3.243971 Rho 0.2355273E+00 |GRAD(Rho)| 0.3074023E-13 GRAD(Rho)x 0.2146731E-13 GRAD(Rho)y 0.5355850E-14 GRAD(Rho)z -0.2134084E-13 Laplacian 0.8369499E+00 (-1/4)Del**2(Rho)) -0.2092375E+00 Diamond 0.2914150E+01 Metallicity 0.7395753E+01 Ellipticity 0.2265865E-03 Gb(Abramov) 0.3974031E+00 Vb(Abramov) -0.5855687E+00 Hb(Abramov) -0.1881656E+00 Ex_ueg -0.1074253E+00 Ec_ueg -0.1413047E-01 Delta_ex -0.1007366E+00 Delta_ec 0.1879033E-01 Delta_et -0.2609554E+00 Pxc 0.7602386E+01 Qxc -0.5361089E+01 3,-1 181 3 -1 -0.783122 -3.418041 -1.284905 Rho 0.3116221E+00 |GRAD(Rho)| 0.8825170E-15 GRAD(Rho)x -0.1554229E-15 GRAD(Rho)y 0.8288270E-15 GRAD(Rho)z 0.2602417E-15 Laplacian -0.1609728E+01 (-1/4)Del**2(Rho)) 0.4024319E+00 Diamond 0.5461950E+01 Metallicity -0.6131609E+01 Ellipticity 0.2019116E-02 Gb(Abramov) 0.1429713E+00 Vb(Abramov) -0.6883744E+00 Hb(Abramov) -0.5454032E+00 Ex_ueg -0.1560352E+00 Ec_ueg -0.1953087E-01 Delta_ex 0.1585911E+00 Delta_ec 0.5624912E-01 Delta_et -0.1320428E+01 Pxc 0.7989161E+01 Qxc 0.2819441E+01 3,-1 182 3 -1 -1.802925 2.761638 -0.569147 Rho 0.1362058E+00 |GRAD(Rho)| 0.2277117E-15 GRAD(Rho)x 0.2267744E-15 GRAD(Rho)y -0.7243826E-17 GRAD(Rho)z 0.1932590E-16 Laplacian 0.5661383E+00 (-1/4)Del**2(Rho)) -0.1415346E+00 Diamond 0.1029017E+01 Metallicity 0.4388845E+01 Ellipticity 0.9509905E-02 Gb(Abramov) 0.1978853E+00 Vb(Abramov) -0.2542359E+00 Hb(Abramov) -0.5635069E-01 Ex_ueg -0.5175823E-01 Ec_ueg -0.7566425E-02 Delta_ex -0.5946459E-01 Delta_ec 0.1485488E-01 Delta_et -0.1952538E+00 Pxc 0.6840512E+01 Qxc -0.4003034E+01 3,-1 183 3 -1 -0.415698 0.351514 0.348704 Rho 0.1970523E+00 |GRAD(Rho)| 0.1550777E-15 GRAD(Rho)x -0.1037389E-15 GRAD(Rho)y 0.1103326E-15 GRAD(Rho)z 0.3337733E-16 Laplacian 0.6676601E+00 (-1/4)Del**2(Rho)) -0.1669150E+00 Diamond 0.2084172E+01 Metallicity 0.6886950E+01 Ellipticity 0.6974160E-02 Gb(Abramov) 0.3028659E+00 Vb(Abramov) -0.4388168E+00 Hb(Abramov) -0.1359509E+00 Ex_ueg -0.8468902E-01 Ec_ueg -0.1152100E-01 Delta_ex -0.7819579E-01 Delta_ec 0.1833498E-01 Delta_et -0.2603782E+00 Pxc 0.7350840E+01 Qxc -0.4264842E+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 78 156 171 176 158 177 174 88 167 127 183 93 140 143 91 97 145 142 131 100 141 144 146 110 148 105 178 106 149 112 136 113 115 114 116 124 62 182 66 139 117 57 119 163 56 155 55 165 71 72 153 164 179 64 154 166 138 76 180 168 133 161 170 134 151 160 169 175 152 162 150 80 81 79 173 103 159 172 181 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 25 28 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 21 28 36 52 27 52 53 53 2.450803 1.943935 1.899083 1.944173 1.930831 1.734210 1.568015 1.546377 1.563522 1.569939 2.402250 1.900574 1.920916 1.966941 1.952619 1.734891 2.441671 1.925885 1.948968 1.936485 1.906267 1.735886 2.471691 1.947002 1.802597 2.074399 1.965842 1.741502 2.578023 1.927068 1.920626 1.940729 1.945000 1.723515 2.429944 1.821726 1.950920 1.961735 2.017109 1.740658 2.390247 1.947610 1.974815 1.906869 1.919401 1.733645 2.398370 2.180026 1.960434 1.975714 1.750163 1.748517 2.502383 1.929662 1.929389 1.938699 1.957529 1.724017 2.516697 1.939076 1.958364 1.872194 1.941072 1.735006 2.506231 1.927898 1.912191 1.952416 1.933920 1.735290 3.286858 3.086640 3.167082 1.006429 3.267172 1.690938 1.751854 1.003521 2.451889 1.944374 1.899516 1.944825 1.931477 1.734212 1.568052 1.546477 1.563559 1.569956 2.403569 1.900987 1.921363 1.967573 1.953245 1.734893 2.442869 1.926277 1.949412 1.937056 1.906797 1.735891 2.472691 1.947332 1.802720 2.074948 1.966461 1.741520 2.579009 1.927620 1.921212 1.941492 1.945779 1.723525 2.430939 1.822084 1.951250 1.962303 2.017745 1.740670 2.391830 1.948135 1.975226 1.907543 1.920735 1.733651 2.399993 2.180396 1.960846 1.976341 1.750178 1.748539 2.503341 1.930251 1.930003 1.939510 1.958322 1.724030 2.517732 1.939509 1.958746 1.872691 1.941618 1.735011 2.507206 1.928418 1.913414 1.952985 1.934488 1.735292 3.349757 3.088982 3.170586 1.006525 3.273406 1.696368 1.752917 1.003649 27 25 23 27 24 20 24 22 21 21 27 25 23 25 26 20 27 23 26 25 23 22 29 23 25 25 25 21 29 23 23 23 23 21 27 24 23 25 26 23 27 25 23 25 25 21 27 25 25 25 23 22 29 25 24 23 25 21 29 23 23 25 23 22 29 26 23 23 23 20 37 35 35 18 35 26 24 20 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 W P W W W Mo W W W Mo 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 H 2.4842 2.3590 2.4818 2.4770 2.4293 2.3367 2.4598 2.4778 2.3900 2.3367 2.4795 2.4626 -1.0502 -0.9923 -1.0441 -1.0510 -0.9225 -0.9706 -0.9216 -0.9274 -0.7645 -0.9591 -0.9716 -0.9210 -0.9593 -0.9565 -0.9248 -0.8989 -0.9588 -0.9813 -0.9288 -0.9301 -0.9672 -0.9648 -0.9298 -0.7783 -0.7776 -0.9650 -0.9756 -0.9280 -0.7768 -0.7801 -0.7748 -0.7813 -0.7979 -0.7012 -0.7946 -0.7712 -0.8122 -0.7003 -0.7816 0.2960 0.3222 2.0854 2.5060 2.0907 2.0859 2.1103 1.9581 2.0931 2.1065 2.1267 1.9559 2.0871 2.0947 1.8944 1.8980 1.8943 1.8929 1.9373 1.9317 1.9433 1.9367 1.8789 1.9334 1.9318 1.9369 1.9329 1.9327 1.9374 1.9575 1.9446 1.9420 1.9446 1.9457 1.9423 1.9443 1.9450 1.9623 1.8790 1.9448 1.9422 1.9454 1.9684 1.9666 1.9686 1.9669 1.9648 1.9803 1.9653 1.9681 1.9611 1.9797 1.9675 0.5425 0.5261 6.0905 7.3073 6.0950 6.0924 6.1055 6.0759 6.0953 6.0962 6.0990 6.0741 6.0902 6.1067 5.1163 5.0550 5.1105 5.1183 4.9574 5.0084 4.9479 4.9624 4.8536 4.9965 5.0096 4.9559 4.9961 4.9928 4.9593 4.9083 4.9831 5.0064 4.9546 4.9544 4.9925 4.9891 4.9545 4.7819 4.8675 4.9892 5.0014 4.9528 4.7720 4.7774 4.7699 4.7782 4.7980 4.6864 4.7940 4.7668 4.8171 4.6863 4.7778 0.1615 0.1517 3.3104 0.8277 3.3030 3.3153 3.3262 3.6294 3.3225 3.2902 3.3560 3.6333 3.3139 3.3069 0.0395 0.0394 0.0393 0.0398 0.0278 0.0305 0.0305 0.0283 0.0320 0.0291 0.0302 0.0281 0.0304 0.0309 0.0282 0.0331 0.0311 0.0328 0.0297 0.0301 0.0325 0.0315 0.0304 0.0342 0.0311 0.0310 0.0320 0.0298 0.0364 0.0361 0.0363 0.0361 0.0351 0.0344 0.0353 0.0363 0.0340 0.0343 0.0363 0.0000 0.0000 14.0295 0.0000 14.0295 14.0295 14.0287 0.0000 14.0293 14.0292 14.0283 0.0000 14.0292 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P W W W Mo W W W Mo 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 H 2.518827 2.006304 2.523393 2.517169 2.492787 3.182869 2.504359 2.536844 2.494123 3.180099 2.513127 2.517541 -1.033026 -0.981362 -1.056759 -1.068617 -1.068393 -0.958038 -0.937452 -1.071648 -0.614171 -0.957694 -0.953090 -1.069707 -0.957637 -0.948423 -1.072978 -0.756926 -0.943088 -0.941015 -1.056054 -1.054298 -0.943310 -0.934747 -1.049612 -0.825020 -0.601404 -0.944432 -0.946494 -1.051329 -0.806652 -0.815508 -0.804685 -0.812850 -0.836231 -0.969509 -0.829908 -0.800141 -0.852136 -0.969212 -0.813013 0.052916 0.066208 1.944238 1.568072 1.949632 1.950105 1.914683 2.366594 1.938016 1.966060 1.941564 2.365015 1.945456 1.949385 -0.752990 -0.717147 -0.791048 -0.802633 -0.811113 -0.725662 -0.730060 -0.816754 -0.740512 -0.717083 -0.704350 -0.818052 -0.719079 -0.711230 -0.817968 -0.624259 -0.778594 -0.754754 -0.848194 -0.853966 -0.761561 -0.748045 -0.852277 -0.722691 -0.759078 -0.777162 -0.768179 -0.850928 -0.702664 -0.698949 -0.698653 -0.704521 -0.736071 -0.742813 -0.723018 -0.685370 -0.758118 -0.743015 -0.708117 0.287161 0.290694 2.048682 1.530929 2.052617 2.053020 2.011282 2.456666 2.036091 2.075425 2.026582 2.455039 2.049423 2.053777 -0.805884 -0.784611 -0.834976 -0.848456 -0.892960 -0.805013 -0.790023 -0.891075 -0.776803 -0.800198 -0.791985 -0.886251 -0.791530 -0.815501 -0.891912 -0.730830 -0.808278 -0.786954 -0.897917 -0.897652 -0.795703 -0.801243 -0.888616 -0.713156 -0.776997 -0.812611 -0.815717 -0.893235 -0.667172 -0.676341 -0.662098 -0.668337 -0.705912 -0.703032 -0.687500 -0.667617 -0.743283 -0.703093 -0.675986 0.366852 0.370074 2.60054868 -0.63907611 1.73788481 3.19241528 -11.22493228 7.66272296 -12.80417252 10.39430535 8.40939688 0.83062693 -384.0926 403.3391 -56.4334 -389.7807 -29.5298 -456.4974 Apr01-2024 02:24:43 Nodes: 1 Procs: 1 Apr01-2024 02:24:44 Nodes: 1 Procs: 1 0 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Apr01-2024 02:24:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 02:24:47 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Apr01-2024 02:24:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr01-2024 02:24:49 Nodes: 1 Procs: 1 Apr01-2024 02:24:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr01-2024 02:24:52 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -16.10449160 -16.56439834 -16.27077120 -16.56580798 -16.70354427 -16.73471754 -16.75102547 -16.75184899 -16.75762380 -16.76153109 -16.76354621 -16.76576754 -16.76885914 -16.77309049 -16.77391904 -16.77530434 -16.77553739 -16.77575883 -16.77583498 -16.77588675 -16.77592242 -16.77595293 -16.77596572 -16.77597165 GEOMETRY CONVERGED