ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:12:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.78 0.03 2.28 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 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:12:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.89 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 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 Jun20-2024 08:12:54 Nodes: 1 Procs: 1 Jun20-2024 08:12:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:13:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.47 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 Jun20-2024 08:12:54 Nodes: 1 Procs: 1 Jun20-2024 08:12:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:13:00 Nodes: 1 Procs: 1 Jun20-2024 08:13:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:13:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.43 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 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 Jun20-2024 08:12:54 Nodes: 1 Procs: 1 Jun20-2024 08:12:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:13:00 Nodes: 1 Procs: 1 Jun20-2024 08:13:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:13:07 Nodes: 1 Procs: 1 Jun20-2024 08:13:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:13:15 Hydrogen (TZP) c3-8 c3-8 c3-8 c3-8 c3-8 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 2.05 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 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 Jun20-2024 08:12:54 Nodes: 1 Procs: 1 Jun20-2024 08:12:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:13:00 Nodes: 1 Procs: 1 Jun20-2024 08:13:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:13:07 Nodes: 1 Procs: 1 Jun20-2024 08:13:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 08:13:15 Nodes: 1 Procs: 1 Jun20-2024 08:13:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:13:21 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2208.110399999999 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 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 -5.778 -5.747 -5.678 -5.647 -5.616 -5.530 -5.304 -5.233 -5.113 -4.620 -2.581 -2.200 -1.945 -1.703 -1.517 -1.473 -1.372 -1.052 -0.978 -0.929 A A A A A A A A A A A A A A A A A A A A 0.00000000047681 0.00041354818797 0.00028508261084 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 73 73 73 73 73 73 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 74 74 74 33 1 1 0.592914 -2.778015 2.215506 -0.807428 3.742891 -0.595968 -2.237414 -2.125537 0.217704 2.256750 3.482174 1.818597 1.242202 -2.187881 -1.019421 -2.250727 0.988694 -2.183521 -3.310771 -3.418081 -0.469166 2.025628 1.535334 -3.914443 2.896276 5.092930 2.271458 -0.167918 -1.010659 0.800416 -1.265626 1.260370 2.218200 -0.460711 1.402732 -0.512400 1.405519 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-2.125537 0.217704 Rho 0.3882647E+07 3,-3 4 3 -3 2.256750 3.482174 1.818597 Rho 0.3882648E+07 3,-3 5 3 -3 1.242202 -2.187881 -1.019421 Rho 0.3882647E+07 3,-3 6 3 -3 -2.250727 0.988694 -2.183521 Rho 0.3882648E+07 3,-3 7 3 -3 -3.310771 -3.418081 -0.469166 Rho 0.3190461E+03 3,-3 8 3 -3 2.025628 1.535334 -3.914443 Rho 0.3192720E+03 3,-3 9 3 -3 2.896276 5.092930 2.271458 Rho 0.3191230E+03 3,-3 10 3 -3 -0.167918 -1.010659 0.800416 Rho 0.3190221E+03 3,-3 11 3 -3 -1.265626 1.260370 2.218200 Rho 0.3192025E+03 3,-3 12 3 -3 -0.460711 1.402732 -0.512400 Rho 0.3190016E+03 3,-3 13 3 -3 1.405519 1.178454 1.494196 Rho 0.3189610E+03 3,-3 14 3 -3 0.380545 0.931621 4.280922 Rho 0.3187271E+03 3,-3 15 3 -3 -2.462914 -0.568279 -1.109055 Rho 0.3187776E+03 3,-3 16 3 -3 2.158800 -3.223471 -2.164394 Rho 0.3191049E+03 3,-3 17 3 -3 1.126197 -0.514419 -2.101612 Rho 0.3188366E+03 3,-3 18 3 -3 5.112654 0.472891 -0.148995 Rho 0.3192760E+03 3,-3 19 3 -3 2.738724 -0.943381 -0.049335 Rho 0.3189957E+03 3,-3 20 3 -3 -1.947926 3.670059 1.023183 Rho 0.3186610E+03 3,-3 21 3 -3 1.463779 -1.211094 3.120620 Rho 0.3188054E+03 3,-3 22 3 -3 0.775364 3.871922 0.662596 Rho 0.3187842E+03 3,-3 23 3 -3 -1.050054 5.437980 -1.106554 Rho 0.3191334E+03 3,-3 24 3 -3 2.572047 1.460949 -1.168602 Rho 0.3188543E+03 3,-3 25 3 -3 -3.289392 -1.332756 1.464701 Rho 0.3190664E+03 3,-3 26 3 -3 -0.523813 -2.752000 -1.158657 Rho 0.3189644E+03 3,-3 27 3 -3 -3.577754 0.871782 -3.388409 Rho 0.3191053E+03 3,-3 28 3 -3 -0.662827 0.992024 -3.259750 Rho 0.3188920E+03 3,-3 29 3 -3 2.396463 2.477975 3.494645 Rho 0.3188990E+03 3,-3 30 3 -3 1.608624 -3.254354 0.704906 Rho 0.3188977E+03 3,-3 31 3 -3 -2.314140 2.840006 -1.632720 Rho 0.3188640E+03 3,-3 32 3 -3 3.608448 0.314862 2.298562 Rho 0.3189310E+03 3,-3 33 3 -3 2.990966 0.193169 5.077866 Rho 0.3192912E+03 3,-3 34 3 -3 3.667412 2.653724 0.879565 Rho 0.3189416E+03 3,-3 35 3 -3 -1.183733 -3.196547 1.683512 Rho 0.3188667E+03 3,-3 36 3 -3 0.534128 3.128455 -2.076904 Rho 0.3189296E+03 3,-3 37 3 -3 0.951327 -4.062523 3.418629 Rho 0.3191104E+03 3,-3 38 3 -3 3.456588 0.676753 0.368998 Rho 0.4361414E+07 3,-3 39 3 -3 1.112608 1.357001 -2.436436 Rho 0.4361415E+07 3,-3 40 3 -3 2.138984 0.515402 3.589371 Rho 0.4361415E+07 3,-3 41 3 -3 -0.209006 0.690584 1.031483 Rho 0.4276092E+05 3,-3 42 3 -3 -1.784543 2.841840 1.554016 Rho 0.4436082E+00 3,-3 43 3 -3 -0.326151 1.094218 3.568388 Rho 0.4208272E+00 3,-3 44 3 +1 -1.261831 -0.107237 -0.173759 Rho 0.9153347E-02 |GRAD(Rho)| 0.8706065E-13 GRAD(Rho)x 0.7039580E-13 GRAD(Rho)y -0.4392641E-13 GRAD(Rho)z -0.2635258E-13 Laplacian 0.3416355E-01 (-1/4)Del**2(Rho)) -0.8540888E-02 Diamond 0.1004108E-02 Metallicity 0.8078859E+00 Ellipticity -0.1539137E+01 Gb(Abramov) 0.6843936E-02 Vb(Abramov) -0.5146984E-02 Hb(Abramov) 0.1696952E-02 Ex_ueg -0.1414137E-02 Ec_ueg -0.3298059E-03 Delta_ex -0.1589241E-02 Delta_ec 0.4871875E-03 Delta_et -0.3378477E-02 Pxc 0.4287788E+01 Qxc -0.3262072E+01 3,+1 45 3 +1 0.378126 -0.159426 -0.637615 Rho 0.6822804E-02 |GRAD(Rho)| 0.8825294E-17 GRAD(Rho)x -0.5127306E-17 GRAD(Rho)y 0.4509913E-17 GRAD(Rho)z 0.5590816E-17 Laplacian 0.2572894E-01 (-1/4)Del**2(Rho)) -0.6432234E-02 Diamond 0.5152129E-03 Metallicity 0.6573492E+00 Ellipticity -0.1417783E+01 Gb(Abramov) 0.4992860E-02 Vb(Abramov) -0.3553486E-02 Hb(Abramov) 0.1439374E-02 Ex_ueg -0.9557308E-03 Ec_ueg -0.2261796E-03 Delta_ex -0.1116995E-02 Delta_ec 0.3759766E-03 Delta_et -0.2408209E-02 Pxc 0.4225539E+01 Qxc -0.2970915E+01 3,+1 46 3 +1 -1.446962 1.877752 -1.187116 Rho 0.2668894E-01 |GRAD(Rho)| 0.1964868E-14 GRAD(Rho)x 0.5696799E-15 GRAD(Rho)y 0.1748380E-14 GRAD(Rho)z 0.6923428E-15 Laplacian 0.1002486E+00 (-1/4)Del**2(Rho)) -0.2506214E-01 Diamond 0.1331752E-01 Metallicity 0.1638402E+01 Ellipticity -0.3377090E+01 Gb(Abramov) 0.2355174E-01 Vb(Abramov) -0.2204133E-01 Hb(Abramov) 0.1510403E-02 Ex_ueg -0.5890607E-02 Ec_ueg -0.1174120E-02 Delta_ex -0.6242557E-02 Delta_ec 0.1518286E-02 Delta_et -0.1365071E-01 Pxc 0.5017041E+01 Qxc -0.4111583E+01 3,+1 47 3 +1 0.795085 -0.345662 2.018635 Rho 0.1046780E-01 |GRAD(Rho)| 0.3386806E-14 GRAD(Rho)x 0.2280989E-14 GRAD(Rho)y 0.1939022E-14 GRAD(Rho)z 0.1583584E-14 Laplacian 0.3999134E-01 (-1/4)Del**2(Rho)) -0.9997834E-02 Diamond 0.1354424E-02 Metallicity 0.8631232E+00 Ellipticity -0.1517109E+01 Gb(Abramov) 0.8103450E-02 Vb(Abramov) -0.6209065E-02 Hb(Abramov) 0.1894384E-02 Ex_ueg -0.1691189E-02 Ec_ueg -0.3893074E-03 Delta_ex -0.1905378E-02 Delta_ec 0.5348490E-03 Delta_et -0.3864948E-02 Pxc 0.4344097E+01 Qxc -0.3562459E+01 3,+1 48 3 -1 -2.349791 -1.303079 -0.480144 Rho 0.1017109E+00 |GRAD(Rho)| 0.1065292E-12 GRAD(Rho)x 0.4472398E-13 GRAD(Rho)y 0.4071843E-14 GRAD(Rho)z -0.9660049E-13 Laplacian 0.4385289E+00 (-1/4)Del**2(Rho)) -0.1096322E+00 Diamond 0.5809991E+00 Metallicity 0.3482522E+01 Ellipticity 0.3916095E-01 Gb(Abramov) 0.1367209E+00 Vb(Abramov) -0.1638096E+00 Hb(Abramov) -0.2708870E-01 Ex_ueg -0.3506508E-01 Ec_ueg -0.5428806E-02 Delta_ex -0.4331176E-01 Delta_ec 0.1290853E-01 Delta_et -0.1618014E+00 Pxc 0.6459078E+01 Qxc -0.3355281E+01 3,-1 49 3 -1 -2.963802 0.926182 -2.830799 Rho 0.2091153E+00 |GRAD(Rho)| 0.3905549E-14 GRAD(Rho)x 0.1270902E-14 GRAD(Rho)y -0.2112195E-14 GRAD(Rho)z 0.3029315E-14 Laplacian 0.7868832E+00 (-1/4)Del**2(Rho)) -0.1967208E+00 Diamond 0.2349472E+01 Metallicity 0.6451778E+01 Ellipticity 0.1059090E-01 Gb(Abramov) 0.3426803E+00 Vb(Abramov) -0.4886399E+00 Hb(Abramov) -0.1459596E+00 Ex_ueg -0.9167120E-01 Ec_ueg -0.1233033E-01 Delta_ex -0.9168350E-01 Delta_ec 0.1798775E-01 Delta_et -0.2470313E+00 Pxc 0.7434609E+01 Qxc -0.5096995E+01 3,-1 50 3 -1 -1.669730 -2.678703 0.982433 Rho 0.9482327E-01 |GRAD(Rho)| 0.1065248E-13 GRAD(Rho)x 0.7597750E-14 GRAD(Rho)y 0.7466562E-14 GRAD(Rho)z 0.1206175E-17 Laplacian 0.3847791E+00 (-1/4)Del**2(Rho)) -0.9619478E-01 Diamond 0.4646568E+00 Metallicity 0.3531235E+01 Ellipticity 0.5774794E-02 Gb(Abramov) 0.1207442E+00 Vb(Abramov) -0.1452937E+00 Hb(Abramov) -0.2454946E-01 Ex_ueg -0.3193535E-01 Ec_ueg -0.5012546E-02 Delta_ex -0.3732890E-01 Delta_ec 0.1137418E-01 Delta_et -0.1403619E+00 Pxc 0.6371083E+01 Qxc -0.3281897E+01 3,-1 51 3 -1 -2.812864 -2.820212 -0.150789 Rho 0.1993494E+00 |GRAD(Rho)| 0.2393743E-15 GRAD(Rho)x 0.6234162E-16 GRAD(Rho)y 0.2040468E-15 GRAD(Rho)z 0.1085286E-15 Laplacian 0.7489765E+00 (-1/4)Del**2(Rho)) -0.1872441E+00 Diamond 0.2130869E+01 Metallicity 0.6258977E+01 Ellipticity 0.2042365E-01 Gb(Abramov) 0.3201555E+00 Vb(Abramov) -0.4530669E+00 Hb(Abramov) -0.1329114E+00 Ex_ueg -0.8600792E-01 Ec_ueg -0.1167449E-01 Delta_ex -0.8633600E-01 Delta_ec 0.1758753E-01 Delta_et -0.2415296E+00 Pxc 0.7367166E+01 Qxc -0.4908934E+01 3,-1 52 3 +1 0.421272 2.320729 0.673610 Rho 0.9392928E-02 |GRAD(Rho)| 0.1165028E-16 GRAD(Rho)x -0.7682794E-17 GRAD(Rho)y 0.7671538E-17 GRAD(Rho)z -0.4225073E-17 Laplacian 0.3505200E-01 (-1/4)Del**2(Rho)) -0.8763001E-02 Diamond 0.1018689E-02 Metallicity 0.8220571E+00 Ellipticity -0.1485194E+01 Gb(Abramov) 0.7042615E-02 Vb(Abramov) -0.5322229E-02 Hb(Abramov) 0.1720386E-02 Ex_ueg -0.1463703E-02 Ec_ueg -0.3405961E-03 Delta_ex -0.1621894E-02 Delta_ec 0.4651770E-03 Delta_et -0.3274313E-02 Pxc 0.4297476E+01 Qxc -0.3486618E+01 3,+1 53 3 -1 -2.357553 0.159666 -1.607247 Rho 0.1521767E+00 |GRAD(Rho)| 0.4322157E-12 GRAD(Rho)x 0.3727687E-13 GRAD(Rho)y 0.3456014E-12 GRAD(Rho)z -0.2568667E-12 Laplacian 0.6475963E+00 (-1/4)Del**2(Rho)) -0.1618991E+00 Diamond 0.1323557E+01 Metallicity 0.4615540E+01 Ellipticity 0.4009009E-01 Gb(Abramov) 0.2324746E+00 Vb(Abramov) -0.3030502E+00 Hb(Abramov) -0.7057557E-01 Ex_ueg -0.6000434E-01 Ec_ueg -0.8583000E-02 Delta_ex -0.6967834E-01 Delta_ec 0.1616800E-01 Delta_et -0.2151750E+00 Pxc 0.6991068E+01 Qxc -0.4309644E+01 3,-1 54 3 +1 -0.600132 1.190183 -1.834323 Rho 0.2137714E-01 |GRAD(Rho)| 0.2817717E-14 GRAD(Rho)x 0.1238166E-14 GRAD(Rho)y 0.2530643E-14 GRAD(Rho)z -0.4815478E-16 Laplacian 0.7536369E-01 (-1/4)Del**2(Rho)) -0.1884092E-01 Diamond 0.7438874E-02 Metallicity 0.1505568E+01 Ellipticity -0.3216381E+01 Gb(Abramov) 0.1728833E-01 Vb(Abramov) -0.1573574E-01 Hb(Abramov) 0.1552593E-02 Ex_ueg -0.4381786E-02 Ec_ueg -0.9080981E-03 Delta_ex -0.4428256E-02 Delta_ec 0.1157479E-02 Delta_et -0.9869487E-02 Pxc 0.4825234E+01 Qxc -0.3825778E+01 3,+1 55 3 -1 -1.184881 -1.516524 0.521786 Rho 0.4284397E-01 |GRAD(Rho)| 0.4269588E-16 GRAD(Rho)x -0.1513055E-16 GRAD(Rho)y -0.3506335E-16 GRAD(Rho)z -0.1909360E-16 Laplacian 0.1815883E+00 (-1/4)Del**2(Rho)) -0.4539707E-01 Diamond 0.8078868E-01 Metallicity 0.1990711E+01 Ellipticity 0.7114608E-02 Gb(Abramov) 0.4532679E-01 Vb(Abramov) -0.4525651E-01 Hb(Abramov) 0.7028179E-04 Ex_ueg -0.1107230E-01 Ec_ueg -0.2023311E-02 Delta_ex -0.1470682E-01 Delta_ec 0.6000175E-02 Delta_et -0.6083577E-01 Pxc 0.5472369E+01 Qxc -0.2451065E+01 3,-1 56 3 +1 1.234011 1.251024 -0.211582 Rho 0.7453454E-02 |GRAD(Rho)| 0.1198622E-13 GRAD(Rho)x -0.4904023E-14 GRAD(Rho)y 0.2042661E-15 GRAD(Rho)z 0.1093518E-13 Laplacian 0.2937504E-01 (-1/4)Del**2(Rho)) -0.7343759E-02 Diamond 0.6336687E-03 Metallicity 0.6671611E+00 Ellipticity -0.1360169E+01 Gb(Abramov) 0.5712418E-02 Vb(Abramov) -0.4081077E-02 Hb(Abramov) 0.1631341E-02 Ex_ueg -0.1075297E-02 Ec_ueg -0.2539763E-03 Delta_ex -0.1287286E-02 Delta_ec 0.4004097E-03 Delta_et -0.2648410E-02 Pxc 0.4233849E+01 Qxc -0.3214922E+01 3,+1 57 3 -1 -2.276774 1.970793 -1.881873 Rho 0.1456909E+00 |GRAD(Rho)| 0.5826186E-11 GRAD(Rho)x -0.5114008E-11 GRAD(Rho)y -0.1932469E-12 GRAD(Rho)z -0.2784605E-11 Laplacian 0.5795038E+00 (-1/4)Del**2(Rho)) -0.1448759E+00 Diamond 0.1144703E+01 Metallicity 0.4796719E+01 Ellipticity 0.3879603E-01 Gb(Abramov) 0.2124055E+00 Vb(Abramov) -0.2799350E+00 Hb(Abramov) -0.6752955E-01 Ex_ueg -0.5661893E-01 Ec_ueg -0.8168243E-02 Delta_ex -0.6190104E-01 Delta_ec 0.1500836E-01 Delta_et -0.1994071E+00 Pxc 0.6931592E+01 Qxc -0.4124436E+01 3,-1 58 3 +1 -0.710361 -1.879806 -0.069852 Rho 0.2213996E-01 |GRAD(Rho)| 0.1550829E-12 GRAD(Rho)x -0.7514298E-13 GRAD(Rho)y -0.5664200E-13 GRAD(Rho)z -0.1232717E-12 Laplacian 0.7895751E-01 (-1/4)Del**2(Rho)) -0.1973938E-01 Diamond 0.7178545E-02 Metallicity 0.1523519E+01 Ellipticity -0.2179072E+01 Gb(Abramov) 0.1817180E-01 Vb(Abramov) -0.1660423E-01 Hb(Abramov) 0.1567574E-02 Ex_ueg -0.4591496E-02 Ec_ueg -0.9458226E-03 Delta_ex -0.4555525E-02 Delta_ec 0.9844929E-03 Delta_et -0.8544497E-02 Pxc 0.4854500E+01 Qxc -0.4627281E+01 3,+1 59 3 -1 -1.398954 0.991071 -2.746354 Rho 0.1496901E+00 |GRAD(Rho)| 0.8975370E-09 GRAD(Rho)x 0.7497694E-09 GRAD(Rho)y 0.1691345E-11 GRAD(Rho)z -0.4933717E-09 Laplacian 0.5981332E+00 (-1/4)Del**2(Rho)) -0.1495333E+00 Diamond 0.1235149E+01 Metallicity 0.4861876E+01 Ellipticity 0.4233959E-01 Gb(Abramov) 0.2208576E+00 Vb(Abramov) -0.2921819E+00 Hb(Abramov) -0.7132431E-01 Ex_ueg -0.5870062E-01 Ec_ueg -0.8423682E-02 Delta_ex -0.6446133E-01 Delta_ec 0.1564820E-01 Delta_et -0.2093163E+00 Pxc 0.6968523E+01 Qxc -0.4119410E+01 3,-1 60 3 -1 -1.333198 1.187829 -1.300913 Rho 0.3709776E-01 |GRAD(Rho)| 0.1979057E-12 GRAD(Rho)x 0.1880425E-12 GRAD(Rho)y 0.1296983E-13 GRAD(Rho)z -0.6031990E-13 Laplacian 0.1572249E+00 (-1/4)Del**2(Rho)) -0.3930623E-01 Diamond 0.5603834E-01 Metallicity 0.1808581E+01 Ellipticity 0.5874588E-01 Gb(Abramov) 0.3805224E-01 Vb(Abramov) -0.3679824E-01 Hb(Abramov) 0.1253994E-02 Ex_ueg -0.9137948E-02 Ec_ueg -0.1715204E-02 Delta_ex -0.1220195E-01 Delta_ec 0.5028930E-02 Delta_et -0.4899170E-01 Pxc 0.5327617E+01 Qxc -0.2426351E+01 3,-1 61 3 +1 -0.614147 -0.642712 -1.471314 Rho 0.3287781E-02 |GRAD(Rho)| 0.5952788E-17 GRAD(Rho)x 0.5588908E-17 GRAD(Rho)y -0.3602569E-18 GRAD(Rho)z -0.2017427E-17 Laplacian 0.1221719E-01 (-1/4)Del**2(Rho)) -0.3054299E-02 Diamond 0.1146200E-03 Metallicity 0.4100277E+00 Ellipticity -0.1248785E+01 Gb(Abramov) 0.2244924E-02 Vb(Abramov) -0.1435549E-02 Hb(Abramov) 0.8093750E-03 Ex_ueg -0.3610680E-03 Ec_ueg -0.7398997E-04 Delta_ex -0.4842919E-03 Delta_ec 0.2465317E-03 Delta_et -0.1237154E-02 Pxc 0.4879958E+01 Qxc -0.1964420E+01 3,+1 62 3 +3 -0.564137 -0.571050 -1.265792 Rho 0.3267888E-02 |GRAD(Rho)| 0.1028249E-14 GRAD(Rho)x 0.1444416E-15 GRAD(Rho)y 0.3229085E-15 GRAD(Rho)z 0.9654856E-15 Laplacian 0.1241045E-01 (-1/4)Del**2(Rho)) -0.3102613E-02 Diamond 0.8939063E-04 Metallicity 0.3995804E+00 Ellipticity -0.7144834E+00 Gb(Abramov) 0.2275032E-02 Vb(Abramov) -0.1447452E-02 Hb(Abramov) 0.8275804E-03 Ex_ueg -0.3581579E-03 Ec_ueg -0.7315186E-04 Delta_ex -0.4486049E-03 Delta_ec 0.1741532E-03 Delta_et -0.9217897E-03 Pxc 0.4896088E+01 Qxc -0.2575922E+01 3,+3 63 3 +1 -0.114205 2.461618 -1.126603 Rho 0.2825668E-01 |GRAD(Rho)| 0.5253719E-16 GRAD(Rho)x 0.3067567E-16 GRAD(Rho)y 0.5712973E-18 GRAD(Rho)z -0.4264778E-16 Laplacian 0.1092394E+00 (-1/4)Del**2(Rho)) -0.2730984E-01 Diamond 0.1559608E-01 Metallicity 0.1653621E+01 Ellipticity -0.3075050E+01 Gb(Abramov) 0.2573325E-01 Vb(Abramov) -0.2415666E-01 Hb(Abramov) 0.1576594E-02 Ex_ueg -0.6356430E-02 Ec_ueg -0.1254040E-02 Delta_ex -0.6899494E-02 Delta_ec 0.1636975E-02 Delta_et -0.1491488E-01 Pxc 0.5068760E+01 Qxc -0.4214782E+01 3,+1 64 3 +1 -1.101510 2.270431 0.749148 Rho 0.1026004E-01 |GRAD(Rho)| 0.1105637E-16 GRAD(Rho)x -0.1031367E-16 GRAD(Rho)y 0.3699840E-17 GRAD(Rho)z 0.1477371E-17 Laplacian 0.3815201E-01 (-1/4)Del**2(Rho)) -0.9538003E-02 Diamond 0.1184458E-02 Metallicity 0.8750051E+00 Ellipticity -0.1471043E+01 Gb(Abramov) 0.7749635E-02 Vb(Abramov) -0.5961268E-02 Hb(Abramov) 0.1788367E-02 Ex_ueg -0.1646583E-02 Ec_ueg -0.3798540E-03 Delta_ex -0.1782415E-02 Delta_ec 0.4640119E-03 Delta_et -0.3373406E-02 Pxc 0.4334778E+01 Qxc -0.3841314E+01 3,+1 65 3 -1 -1.583864 2.305439 1.748870 Rho 0.3794828E-01 |GRAD(Rho)| 0.1005428E-15 GRAD(Rho)x 0.7355836E-17 GRAD(Rho)y 0.9695847E-16 GRAD(Rho)z -0.2556967E-16 Laplacian 0.1117397E+00 (-1/4)Del**2(Rho)) -0.2793492E-01 Diamond 0.5719154E-01 Metallicity 0.2642769E+01 Ellipticity 0.1383948E-01 Gb(Abramov) 0.3092754E-01 Vb(Abramov) -0.3392016E-01 Hb(Abramov) -0.2992617E-02 Ex_ueg -0.9418343E-02 Ec_ueg -0.1760422E-02 Delta_ex -0.9723313E-02 Delta_ec 0.5365354E-02 Delta_et -0.5273155E-01 Pxc 0.5350048E+01 Qxc -0.1812241E+01 3,-1 66 3 -1 -1.594906 3.251162 -1.140548 Rho 0.1109944E+00 |GRAD(Rho)| 0.8445101E-16 GRAD(Rho)x 0.1603264E-16 GRAD(Rho)y 0.3583966E-16 GRAD(Rho)z 0.7476929E-16 Laplacian 0.4465726E+00 (-1/4)Del**2(Rho)) -0.1116431E+00 Diamond 0.6489448E+00 Metallicity 0.3955696E+01 Ellipticity 0.6752522E-02 Gb(Abramov) 0.1480332E+00 Vb(Abramov) -0.1844232E+00 Hb(Abramov) -0.3639001E-01 Ex_ueg -0.3939610E-01 Ec_ueg -0.5995736E-02 Delta_ex -0.4488196E-01 Delta_ec 0.1267326E-01 Delta_et -0.1613495E+00 Pxc 0.6570685E+01 Qxc -0.3541469E+01 3,-1 67 3 -1 -1.400105 3.681301 0.266199 Rho 0.1308575E+00 |GRAD(Rho)| 0.2374821E-15 GRAD(Rho)x 0.6239584E-16 GRAD(Rho)y -0.4236181E-16 GRAD(Rho)z -0.2251888E-15 Laplacian 0.5079784E+00 (-1/4)Del**2(Rho)) -0.1269946E+00 Diamond 0.9110658E+00 Metallicity 0.4575437E+01 Ellipticity 0.6988927E-01 Gb(Abramov) 0.1815057E+00 Vb(Abramov) -0.2360168E+00 Hb(Abramov) -0.5451109E-01 Ex_ueg -0.4906631E-01 Ec_ueg -0.7229628E-02 Delta_ex -0.5321435E-01 Delta_ec 0.1412180E-01 Delta_et -0.1856682E+00 Pxc 0.6786837E+01 Qxc -0.3768242E+01 3,-1 68 3 -1 -1.334103 -2.444657 -0.495980 Rho 0.6101009E-01 |GRAD(Rho)| 0.7379070E-13 GRAD(Rho)x -0.6022780E-13 GRAD(Rho)y 0.1709497E-13 GRAD(Rho)z 0.3905689E-13 Laplacian 0.2499604E+00 (-1/4)Del**2(Rho)) -0.6249011E-01 Diamond 0.1731334E+00 Metallicity 0.2606621E+01 Ellipticity 0.2408580E-01 Gb(Abramov) 0.6880808E-01 Vb(Abramov) -0.7512606E-01 Hb(Abramov) -0.6317973E-02 Ex_ueg -0.1773865E-01 Ec_ueg -0.3031946E-02 Delta_ex -0.2187310E-01 Delta_ec 0.7852727E-02 Delta_et -0.8734476E-01 Pxc 0.5850582E+01 Qxc -0.2785415E+01 3,-1 69 3 +1 -0.955926 -2.019424 1.009101 Rho 0.2636133E-01 |GRAD(Rho)| 0.6172147E-15 GRAD(Rho)x -0.5393751E-15 GRAD(Rho)y -0.9531704E-16 GRAD(Rho)z -0.2845052E-15 Laplacian 0.1001616E+00 (-1/4)Del**2(Rho)) -0.2504040E-01 Diamond 0.1146047E-01 Metallicity 0.1606414E+01 Ellipticity -0.2148905E+01 Gb(Abramov) 0.2339781E-01 Vb(Abramov) -0.2175522E-01 Hb(Abramov) 0.1642591E-02 Ex_ueg -0.5794396E-02 Ec_ueg -0.1157496E-02 Delta_ex -0.6052198E-02 Delta_ec 0.1224188E-02 Delta_et -0.1103853E-01 Pxc 0.5005973E+01 Qxc -0.4943847E+01 3,+1 70 3 +3 1.308459 2.321348 -0.191442 Rho 0.3915769E-02 |GRAD(Rho)| 0.6150268E-17 GRAD(Rho)x -0.3363639E-17 GRAD(Rho)y 0.2303832E-17 GRAD(Rho)z 0.4604789E-17 Laplacian 0.1560761E-01 (-1/4)Del**2(Rho)) -0.3901903E-02 Diamond 0.1309629E-03 Metallicity 0.4295086E+00 Ellipticity -0.3785187E+00 Gb(Abramov) 0.2880586E-02 Vb(Abramov) -0.1859268E-02 Hb(Abramov) 0.1021318E-02 Ex_ueg -0.4558352E-03 Ec_ueg -0.1005565E-03 Delta_ex -0.5722121E-03 Delta_ec 0.1902896E-03 Delta_et -0.1084289E-02 Pxc 0.4533123E+01 Qxc -0.3007059E+01 3,+3 71 3 -1 -0.623863 2.528910 -0.515529 Rho 0.5012692E-01 |GRAD(Rho)| 0.1899826E-15 GRAD(Rho)x 0.1899683E-16 GRAD(Rho)y -0.1886681E-15 GRAD(Rho)z 0.1169880E-16 Laplacian 0.2100985E+00 (-1/4)Del**2(Rho)) -0.5252463E-01 Diamond 0.1131023E+00 Metallicity 0.2235159E+01 Ellipticity 0.1970310E-01 Gb(Abramov) 0.5458324E-01 Vb(Abramov) -0.5664185E-01 Hb(Abramov) -0.2058610E-02 Ex_ueg -0.1365043E-01 Ec_ueg -0.2421891E-02 Delta_ex -0.1757238E-01 Delta_ec 0.6737764E-02 Delta_et -0.7123240E-01 Pxc 0.5636271E+01 Qxc -0.2608043E+01 3,-1 72 3 -1 -0.720574 0.966724 1.606900 Rho 0.1914035E+00 |GRAD(Rho)| 0.3526228E-15 GRAD(Rho)x -0.3226586E-15 GRAD(Rho)y -0.1387779E-15 GRAD(Rho)z 0.3122502E-16 Laplacian 0.4971926E+00 (-1/4)Del**2(Rho)) -0.1242982E+00 Diamond 0.1326684E+01 Metallicity 0.8810586E+01 Ellipticity 0.1064873E-01 Gb(Abramov) 0.2653887E+00 Vb(Abramov) -0.4064793E+00 Hb(Abramov) -0.1410906E+00 Ex_ueg -0.8146757E-01 Ec_ueg -0.1114480E-01 Delta_ex -0.5657558E-01 Delta_ec 0.1154278E-01 Delta_et -0.1571048E+00 Pxc 0.7309915E+01 Qxc -0.4901380E+01 3,-1 73 3 +1 0.392845 0.976851 2.690823 Rho 0.1252421E-01 |GRAD(Rho)| 0.1122982E-14 GRAD(Rho)x 0.6540547E-15 GRAD(Rho)y 0.8558046E-15 GRAD(Rho)z -0.3176465E-15 Laplacian 0.4984753E-01 (-1/4)Del**2(Rho)) -0.1246188E-01 Diamond 0.2008457E-02 Metallicity 0.9337270E+00 Ellipticity -0.1462940E+01 Gb(Abramov) 0.1024725E-01 Vb(Abramov) -0.8032626E-02 Hb(Abramov) 0.2214628E-02 Ex_ueg -0.2148088E-02 Ec_ueg -0.4838220E-03 Delta_ex -0.2448145E-02 Delta_ec 0.5936038E-03 Delta_et -0.4537824E-02 Pxc 0.4439831E+01 Qxc -0.4124207E+01 3,+1 74 3 -1 -0.604637 1.137829 3.116464 Rho 0.5349937E-01 |GRAD(Rho)| 0.1948503E-15 GRAD(Rho)x 0.1406451E-16 GRAD(Rho)y -0.1240261E-15 GRAD(Rho)z -0.1496207E-15 Laplacian 0.1298505E+00 (-1/4)Del**2(Rho)) -0.3246261E-01 Diamond 0.1155375E+00 Metallicity 0.4031043E+01 Ellipticity 0.9692509E-03 Gb(Abramov) 0.4345144E-01 Vb(Abramov) -0.5444027E-01 Hb(Abramov) -0.1098883E-01 Ex_ueg -0.1488847E-01 Ec_ueg -0.2609200E-02 Delta_ex -0.1258050E-01 Delta_ec 0.6916750E-02 Delta_et -0.7527935E-01 Pxc 0.5706142E+01 Qxc -0.1818846E+01 3,-1 75 3 +1 1.370600 -0.312923 0.567470 Rho 0.7688678E-02 |GRAD(Rho)| 0.1102052E-14 GRAD(Rho)x -0.1055027E-14 GRAD(Rho)y 0.1304214E-16 GRAD(Rho)z 0.3182266E-15 Laplacian 0.3016121E-01 (-1/4)Del**2(Rho)) -0.7540303E-02 Diamond 0.7157026E-03 Metallicity 0.6843062E+00 Ellipticity -0.1429836E+01 Gb(Abramov) 0.5886848E-02 Vb(Abramov) -0.4233393E-02 Hb(Abramov) 0.1653455E-02 Ex_ueg -0.1120781E-02 Ec_ueg -0.2643914E-03 Delta_ex -0.1351452E-02 Delta_ec 0.4456591E-03 Delta_et -0.2941459E-02 Pxc 0.4239097E+01 Qxc -0.3032480E+01 3,+1 76 3 -1 -0.186893 -0.129562 0.923495 Rho 0.1778616E+00 |GRAD(Rho)| 0.6957981E-13 GRAD(Rho)x 0.3375924E-13 GRAD(Rho)y -0.4469689E-13 GRAD(Rho)z -0.4127775E-13 Laplacian 0.4631302E+00 (-1/4)Del**2(Rho)) -0.1157826E+00 Diamond 0.1168982E+01 Metallicity 0.8369774E+01 Ellipticity 0.5542797E-02 Gb(Abramov) 0.2387007E+00 Vb(Abramov) -0.3616188E+00 Hb(Abramov) -0.1229181E+00 Ex_ueg -0.7387452E-01 Ec_ueg -0.1025032E-01 Delta_ex -0.5202508E-01 Delta_ec 0.1149696E-01 Delta_et -0.1570292E+00 Pxc 0.7207044E+01 Qxc -0.4525116E+01 3,-1 77 3 -1 0.206567 -1.835801 1.498366 Rho 0.4631340E-01 |GRAD(Rho)| 0.4621083E-16 GRAD(Rho)x 0.3946305E-16 GRAD(Rho)y 0.2337811E-17 GRAD(Rho)z 0.2392995E-16 Laplacian 0.1993535E+00 (-1/4)Del**2(Rho)) -0.4983837E-01 Diamond 0.9641564E-01 Metallicity 0.2064590E+01 Ellipticity 0.3699059E-01 Gb(Abramov) 0.5037488E-01 Vb(Abramov) -0.5091139E-01 Hb(Abramov) -0.5365097E-03 Ex_ueg -0.1228365E-01 Ec_ueg -0.2212129E-02 Delta_ex -0.1635216E-01 Delta_ec 0.6399351E-02 Delta_et -0.6623696E-01 Pxc 0.5552862E+01 Qxc -0.2555284E+01 3,-1 78 3 +3 1.709679 -0.789544 1.383304 Rho 0.4367639E-02 |GRAD(Rho)| 0.4540997E-17 GRAD(Rho)x 0.1669146E-17 GRAD(Rho)y -0.3560622E-17 GRAD(Rho)z 0.2270810E-17 Laplacian 0.1746208E-01 (-1/4)Del**2(Rho)) -0.4365521E-02 Diamond 0.1697961E-03 Metallicity 0.4605339E+00 Ellipticity -0.6594811E-01 Gb(Abramov) 0.3245425E-02 Vb(Abramov) -0.2125330E-02 Hb(Abramov) 0.1120095E-02 Ex_ueg -0.5272873E-03 Ec_ueg -0.1198020E-03 Delta_ex -0.6572877E-03 Delta_ec 0.2128145E-03 Delta_et -0.1247703E-02 Pxc 0.4401322E+01 Qxc -0.3088548E+01 3,+3 79 3 +1 1.521277 2.609400 -0.364870 Rho 0.4068703E-02 |GRAD(Rho)| 0.3687978E-15 GRAD(Rho)x -0.2269339E-15 GRAD(Rho)y 0.5394503E-16 GRAD(Rho)z -0.2856619E-15 Laplacian 0.1590689E-01 (-1/4)Del**2(Rho)) -0.3976722E-02 Diamond 0.2341003E-03 Metallicity 0.4492154E+00 Ellipticity -0.1623034E+01 Gb(Abramov) 0.2948882E-02 Vb(Abramov) -0.1921042E-02 Hb(Abramov) 0.1027840E-02 Ex_ueg -0.4797258E-03 Ec_ueg -0.1070581E-03 Delta_ex -0.7029141E-03 Delta_ec 0.3980487E-03 Delta_et -0.2074031E-02 Pxc 0.4480985E+01 Qxc -0.1765900E+01 3,+1 80 3 -1 0.030110 3.803738 0.069516 Rho 0.1114305E+00 |GRAD(Rho)| 0.1843212E-09 GRAD(Rho)x 0.1440646E-09 GRAD(Rho)y 0.1039006E-10 GRAD(Rho)z 0.1145064E-09 Laplacian 0.4753675E+00 (-1/4)Del**2(Rho)) -0.1188419E+00 Diamond 0.7002381E+00 Metallicity 0.3740451E+01 Ellipticity 0.5304971E-01 Gb(Abramov) 0.1533150E+00 Vb(Abramov) -0.1877880E+00 Hb(Abramov) -0.3447308E-01 Ex_ueg -0.3960263E-01 Ec_ueg -0.6022528E-02 Delta_ex -0.4791127E-01 Delta_ec 0.1364195E-01 Delta_et -0.1740425E+00 Pxc 0.6575747E+01 Qxc -0.3512054E+01 3,-1 81 3 -1 -0.938141 4.653684 -0.871778 Rho 0.2142830E+00 |GRAD(Rho)| 0.1607934E-14 GRAD(Rho)x 0.2567255E-15 GRAD(Rho)y -0.1546940E-14 GRAD(Rho)z 0.3556996E-15 Laplacian 0.8133278E+00 (-1/4)Del**2(Rho)) -0.2033319E+00 Diamond 0.2498311E+01 Metallicity 0.6501203E+01 Ellipticity 0.4968283E-02 Gb(Abramov) 0.3558717E+00 Vb(Abramov) -0.5084114E+00 Hb(Abramov) -0.1525397E+00 Ex_ueg -0.9470408E-01 Ec_ueg -0.1267952E-01 Delta_ex -0.9534727E-01 Delta_ec 0.1843783E-01 Delta_et -0.2535026E+00 Pxc 0.7469061E+01 Qxc -0.5171285E+01 3,-1 82 3 +1 0.720624 -2.043276 0.509906 Rho 0.1938258E-01 |GRAD(Rho)| 0.1962928E-16 GRAD(Rho)x -0.1748037E-16 GRAD(Rho)y 0.3448964E-17 GRAD(Rho)z -0.8237111E-17 Laplacian 0.6294044E-01 (-1/4)Del**2(Rho)) -0.1573511E-01 Diamond 0.4466017E-02 Metallicity 0.1531215E+01 Ellipticity -0.2120674E+01 Gb(Abramov) 0.1450571E-01 Vb(Abramov) -0.1327631E-01 Hb(Abramov) 0.1229398E-02 Ex_ueg -0.3845332E-02 Ec_ueg -0.8102732E-03 Delta_ex -0.3455844E-02 Delta_ec 0.7045390E-03 Delta_et -0.5978398E-02 Pxc 0.4745723E+01 Qxc -0.4905113E+01 3,+1 83 3 -1 -0.103163 3.407897 -1.370157 Rho 0.9738465E-01 |GRAD(Rho)| 0.3377174E-15 GRAD(Rho)x -0.2563461E-16 GRAD(Rho)y 0.1084067E-15 GRAD(Rho)z 0.3188164E-15 Laplacian 0.3996058E+00 (-1/4)Del**2(Rho)) -0.9990146E-01 Diamond 0.4995190E+00 Metallicity 0.3554666E+01 Ellipticity 0.1094359E-01 Gb(Abramov) 0.1257870E+00 Vb(Abramov) -0.1516726E+00 Hb(Abramov) -0.2588557E-01 Ex_ueg -0.3309068E-01 Ec_ueg -0.5166897E-02 Delta_ex -0.3902533E-01 Delta_ec 0.1178262E-01 Delta_et -0.1462607E+00 Pxc 0.6404362E+01 Qxc -0.3312110E+01 3,-1 84 3 -1 1.424405 -2.736901 -0.101216 Rho 0.1041152E+00 |GRAD(Rho)| 0.7233593E-13 GRAD(Rho)x -0.1418575E-13 GRAD(Rho)y 0.3230287E-13 GRAD(Rho)z -0.6314884E-13 Laplacian 0.4303541E+00 (-1/4)Del**2(Rho)) -0.1075885E+00 Diamond 0.5777029E+00 Metallicity 0.3689582E+01 Ellipticity 0.2280508E-01 Gb(Abramov) 0.1378851E+00 Vb(Abramov) -0.1681818E+00 Hb(Abramov) -0.3029661E-01 Ex_ueg -0.3617460E-01 Ec_ueg -0.5575002E-02 Delta_ex -0.4259183E-01 Delta_ec 0.1235041E-01 Delta_et -0.1552326E+00 Pxc 0.6488716E+01 Qxc -0.3448616E+01 3,-1 85 3 -1 -0.355212 -2.990159 1.925234 Rho 0.1585591E+00 |GRAD(Rho)| 0.9011706E-14 GRAD(Rho)x -0.4304933E-14 GRAD(Rho)y 0.4918131E-14 GRAD(Rho)z -0.6204062E-14 Laplacian 0.6171751E+00 (-1/4)Del**2(Rho)) -0.1542938E+00 Diamond 0.1348828E+01 Metallicity 0.5186287E+01 Ellipticity 0.5494042E-01 Gb(Abramov) 0.2362312E+00 Vb(Abramov) -0.3181685E+00 Hb(Abramov) -0.8193738E-01 Ex_ueg -0.6338305E-01 Ec_ueg -0.8993649E-02 Delta_ex -0.6730277E-01 Delta_ec 0.1563999E-01 Delta_et -0.2102483E+00 Pxc 0.7047534E+01 Qxc -0.4303248E+01 3,-1 86 3 -1 0.314394 1.372989 -1.429233 Rho 0.3825287E-01 |GRAD(Rho)| 0.3155882E-14 GRAD(Rho)x 0.1924926E-14 GRAD(Rho)y -0.6419445E-16 GRAD(Rho)z -0.2500026E-14 Laplacian 0.1473997E+00 (-1/4)Del**2(Rho)) -0.3684992E-01 Diamond 0.4978342E-01 Metallicity 0.2030283E+01 Ellipticity 0.1183883E+00 Gb(Abramov) 0.3703591E-01 Vb(Abramov) -0.3722190E-01 Hb(Abramov) -0.1859877E-03 Ex_ueg -0.9519271E-02 Ec_ueg -0.1776650E-02 Delta_ex -0.1121770E-01 Delta_ec 0.4165362E-02 Delta_et -0.4087960E-01 Pxc 0.5357990E+01 Qxc -0.2693092E+01 3,-1 87 3 -1 -0.331457 1.031201 0.287435 Rho 0.1771674E+00 |GRAD(Rho)| 0.2974684E-15 GRAD(Rho)x 0.8326673E-16 GRAD(Rho)y -0.2584738E-15 GRAD(Rho)z 0.1214306E-15 Laplacian 0.4651204E+00 (-1/4)Del**2(Rho)) -0.1162801E+00 Diamond 0.1171715E+01 Metallicity 0.8279817E+01 Ellipticity 0.8250729E-02 Gb(Abramov) 0.2379830E+00 Vb(Abramov) -0.3596860E+00 Hb(Abramov) -0.1217029E+00 Ex_ueg -0.7349031E-01 Ec_ueg -0.1020475E-01 Delta_ex -0.5222315E-01 Delta_ec 0.1160381E-01 Delta_et -0.1585485E+00 Pxc 0.7201580E+01 Qxc -0.4500518E+01 3,-1 88 3 -1 0.566938 0.923724 1.251881 Rho 0.1655097E+00 |GRAD(Rho)| 0.2068980E-15 GRAD(Rho)x 0.1908196E-15 GRAD(Rho)y 0.1734723E-16 GRAD(Rho)z -0.7806256E-16 Laplacian 0.4176908E+00 (-1/4)Del**2(Rho)) -0.1044227E+00 Diamond 0.9725394E+00 Metallicity 0.8231218E+01 Ellipticity 0.6812495E-02 Gb(Abramov) 0.2128695E+00 Vb(Abramov) -0.3213162E+00 Hb(Abramov) -0.1084468E+00 Ex_ueg -0.6711450E-01 Ec_ueg -0.9443642E-02 Delta_ex -0.4613540E-01 Delta_ec 0.1064870E-01 Delta_et -0.1444106E+00 Pxc 0.7106845E+01 Qxc -0.4332490E+01 3,-1 89 3 -1 -0.166512 1.057524 3.725781 Rho 0.2985565E+00 |GRAD(Rho)| 0.9257038E-15 GRAD(Rho)x -0.7795704E-15 GRAD(Rho)y 0.1819824E-15 GRAD(Rho)z 0.4648441E-15 Laplacian -0.1448272E+01 (-1/4)Del**2(Rho)) 0.3620679E+00 Diamond 0.4848178E+01 Metallicity -0.6345617E+01 Ellipticity 0.2587826E-02 Gb(Abramov) 0.1415455E+00 Vb(Abramov) -0.6451589E+00 Hb(Abramov) -0.5036134E+00 Ex_ueg -0.1473738E+00 Ec_ueg -0.1858092E-01 Delta_ex 0.1395770E+00 Delta_ec 0.5190129E-01 Delta_et -0.1192595E+01 Pxc 0.7931461E+01 Qxc 0.2689277E+01 3,-1 90 3 -1 0.164660 1.162885 -2.851799 Rho 0.1266486E+00 |GRAD(Rho)| 0.2804010E-13 GRAD(Rho)x 0.2551362E-13 GRAD(Rho)y 0.5195802E-14 GRAD(Rho)z -0.1040701E-13 Laplacian 0.4943790E+00 (-1/4)Del**2(Rho)) -0.1235948E+00 Diamond 0.8185885E+00 Metallicity 0.4451983E+01 Ellipticity 0.6717740E-02 Gb(Abramov) 0.1741035E+00 Vb(Abramov) -0.2246122E+00 Hb(Abramov) -0.5050871E-01 Ex_ueg -0.4697340E-01 Ec_ueg -0.6965902E-02 Delta_ex -0.5096545E-01 Delta_ec 0.1309234E-01 Delta_et -0.1698714E+00 Pxc 0.6743333E+01 Qxc -0.3892769E+01 3,-1 91 3 +1 2.552118 0.746976 1.682970 Rho 0.3155596E-01 |GRAD(Rho)| 0.3057004E-16 GRAD(Rho)x -0.2846819E-16 GRAD(Rho)y -0.4962583E-17 GRAD(Rho)z 0.9973078E-17 Laplacian 0.1264616E+00 (-1/4)Del**2(Rho)) -0.3161540E-01 Diamond 0.2217199E-01 Metallicity 0.1717078E+01 Ellipticity -0.4260891E+01 Gb(Abramov) 0.3012462E-01 Vb(Abramov) -0.2863384E-01 Hb(Abramov) 0.1490780E-02 Ex_ueg -0.7364788E-02 Ec_ueg -0.1424141E-02 Delta_ex -0.8324038E-02 Delta_ec 0.2057064E-02 Delta_et -0.1920409E-01 Pxc 0.5171389E+01 Qxc -0.4046563E+01 3,+1 92 3 -1 0.520111 -1.562658 -0.085956 Rho 0.2999062E-01 |GRAD(Rho)| 0.3305316E-12 GRAD(Rho)x 0.7498200E-13 GRAD(Rho)y -0.2015346E-12 GRAD(Rho)z -0.2510232E-12 Laplacian 0.1199645E+00 (-1/4)Del**2(Rho)) -0.2999113E-01 Diamond 0.3114179E-01 Metallicity 0.1662913E+01 Ellipticity 0.1366280E+00 Gb(Abramov) 0.2830619E-01 Vb(Abramov) -0.2662125E-01 Hb(Abramov) 0.1684938E-02 Ex_ueg -0.6881751E-02 Ec_ueg -0.1343123E-02 Delta_ex -0.8770606E-02 Delta_ec 0.3706116E-02 Delta_et -0.3403019E-01 Pxc 0.5123693E+01 Qxc -0.2366522E+01 3,-1 93 3 +1 2.117718 -0.012755 -1.078781 Rho 0.1201767E-01 |GRAD(Rho)| 0.8327135E-15 GRAD(Rho)x 0.2381796E-15 GRAD(Rho)y 0.7965054E-15 GRAD(Rho)z -0.4755392E-16 Laplacian 0.5895146E-01 (-1/4)Del**2(Rho)) -0.1473787E-01 Diamond 0.2363810E-02 Metallicity 0.7370311E+00 Ellipticity -0.1282993E+01 Gb(Abramov) 0.1163562E-01 Vb(Abramov) -0.8533377E-02 Hb(Abramov) 0.3102244E-02 Ex_ueg -0.2033038E-02 Ec_ueg -0.4603849E-03 Delta_ex -0.2897939E-02 Delta_ec 0.7635636E-03 Delta_et -0.5728764E-02 Pxc 0.4415953E+01 Qxc -0.3795281E+01 3,+1 94 3 -1 0.793288 2.294781 -2.228903 Rho 0.1612113E+00 |GRAD(Rho)| 0.6089363E-14 GRAD(Rho)x 0.2306586E-14 GRAD(Rho)y -0.5386831E-14 GRAD(Rho)z -0.1655916E-14 Laplacian 0.6292031E+00 (-1/4)Del**2(Rho)) -0.1573008E+00 Diamond 0.1380635E+01 Metallicity 0.5229758E+01 Ellipticity 0.4111397E-01 Gb(Abramov) 0.2419747E+00 Vb(Abramov) -0.3266486E+00 Hb(Abramov) -0.8467391E-01 Ex_ueg -0.6480062E-01 Ec_ueg -0.9165021E-02 Delta_ex -0.6869602E-01 Delta_ec 0.1552050E-01 Delta_et -0.2081926E+00 Pxc 0.7070428E+01 Qxc -0.4426146E+01 3,-1 95 3 +1 2.048094 -0.995372 1.505580 Rho 0.4579177E-02 |GRAD(Rho)| 0.1665289E-16 GRAD(Rho)x -0.5921813E-17 GRAD(Rho)y -0.1534619E-17 GRAD(Rho)z 0.1548857E-16 Laplacian 0.1778487E-01 (-1/4)Del**2(Rho)) -0.4446218E-02 Diamond 0.3550702E-03 Metallicity 0.4892620E+00 Ellipticity -0.3282659E+01 Gb(Abramov) 0.3326706E-02 Vb(Abramov) -0.2207195E-02 Hb(Abramov) 0.1119512E-02 Ex_ueg -0.5616102E-03 Ec_ueg -0.1288483E-03 Delta_ex -0.8554255E-03 Delta_ec 0.5349513E-03 Delta_et -0.2839692E-02 Pxc 0.4358694E+01 Qxc -0.1599072E+01 3,+1 96 3 +3 1.213754 0.209249 -0.317492 Rho 0.4307228E-02 |GRAD(Rho)| 0.3366633E-17 GRAD(Rho)x 0.2047653E-17 GRAD(Rho)y -0.1399762E-17 GRAD(Rho)z -0.2276401E-17 Laplacian 0.1676887E-01 (-1/4)Del**2(Rho)) -0.4192218E-02 Diamond 0.1065809E-03 Metallicity 0.4685678E+00 Ellipticity -0.4196660E+00 Gb(Abramov) 0.3122202E-02 Vb(Abramov) -0.2052186E-02 Hb(Abramov) 0.1070016E-02 Ex_ueg -0.5175856E-03 Ec_ueg -0.1172229E-03 Delta_ex -0.5685321E-03 Delta_ec 0.9629595E-04 Delta_et -0.6769748E-03 Pxc 0.4415397E+01 Qxc -0.5904009E+01 3,+3 97 3 -1 1.050093 -1.942746 2.688205 Rho 0.1147639E+00 |GRAD(Rho)| 0.1935614E-15 GRAD(Rho)x 0.1554746E-15 GRAD(Rho)y 0.1126215E-15 GRAD(Rho)z 0.2469948E-16 Laplacian 0.5078180E+00 (-1/4)Del**2(Rho)) -0.1269545E+00 Diamond 0.7615419E+00 Metallicity 0.3677735E+01 Ellipticity 0.3189132E-01 Gb(Abramov) 0.1624538E+00 Vb(Abramov) -0.1979532E+00 Hb(Abramov) -0.3549934E-01 Ex_ueg -0.4119002E-01 Ec_ueg -0.6227765E-02 Delta_ex -0.5134328E-01 Delta_ec 0.1413385E-01 Delta_et -0.1808403E+00 Pxc 0.6613934E+01 Qxc -0.3632647E+01 3,-1 98 3 -1 1.179914 -1.294492 -1.582689 Rho 0.1185590E+00 |GRAD(Rho)| 0.2032701E-15 GRAD(Rho)x -0.2322564E-17 GRAD(Rho)y 0.8998878E-17 GRAD(Rho)z 0.2030575E-15 Laplacian 0.5194731E+00 (-1/4)Del**2(Rho)) -0.1298683E+00 Diamond 0.8244236E+00 Metallicity 0.3795548E+01 Ellipticity 0.9005790E-02 Gb(Abramov) 0.1687324E+00 Vb(Abramov) -0.2075965E+00 Hb(Abramov) -0.3886412E-01 Ex_ueg -0.4301612E-01 Ec_ueg -0.6462405E-02 Delta_ex -0.5312156E-01 Delta_ec 0.1469935E-01 Delta_et -0.1897484E+00 Pxc 0.6656365E+01 Qxc -0.3613870E+01 3,-1 99 3 +1 2.465019 1.951276 1.215387 Rho 0.2270986E-01 |GRAD(Rho)| 0.6662264E-14 GRAD(Rho)x 0.2191319E-14 GRAD(Rho)y 0.6203244E-14 GRAD(Rho)z 0.1050541E-14 Laplacian 0.7945410E-01 (-1/4)Del**2(Rho)) -0.1986353E-01 Diamond 0.8123834E-02 Metallicity 0.1579505E+01 Ellipticity -0.2911791E+01 Gb(Abramov) 0.1847144E-01 Vb(Abramov) -0.1707936E-01 Hb(Abramov) 0.1392085E-02 Ex_ueg -0.4749754E-02 Ec_ueg -0.9741152E-03 Delta_ex -0.4695713E-02 Delta_ec 0.1132064E-02 Delta_et -0.9823220E-02 Pxc 0.4875967E+01 Qxc -0.4147920E+01 3,+1 100 3 -1 1.131196 -3.026015 1.404195 Rho 0.1661520E+00 |GRAD(Rho)| 0.6987642E-14 GRAD(Rho)x 0.6900649E-14 GRAD(Rho)y 0.1091900E-14 GRAD(Rho)z 0.1262553E-15 Laplacian 0.6393645E+00 (-1/4)Del**2(Rho)) -0.1598411E+00 Diamond 0.1490424E+01 Metallicity 0.5412202E+01 Ellipticity 0.3454659E-01 Gb(Abramov) 0.2507428E+00 Vb(Abramov) -0.3416445E+00 Hb(Abramov) -0.9090169E-01 Ex_ueg -0.6746199E-01 Ec_ueg -0.9485369E-02 Delta_ex -0.7064264E-01 Delta_ec 0.1620355E-01 Delta_et -0.2196428E+00 Pxc 0.7112216E+01 Qxc -0.4359700E+01 3,-1 101 3 -1 1.733929 -2.745487 -1.635071 Rho 0.2099258E+00 |GRAD(Rho)| 0.1919161E-15 GRAD(Rho)x 0.6890105E-16 GRAD(Rho)y -0.1576972E-15 GRAD(Rho)z -0.8494724E-16 Laplacian 0.7771493E+00 (-1/4)Del**2(Rho)) -0.1942873E+00 Diamond 0.2346320E+01 Metallicity 0.6574837E+01 Ellipticity 0.7198401E-02 Gb(Abramov) 0.3424261E+00 Vb(Abramov) -0.4905649E+00 Hb(Abramov) -0.1481388E+00 Ex_ueg -0.9214520E-01 Ec_ueg -0.1238500E-01 Delta_ex -0.9073557E-01 Delta_ec 0.1791750E-01 Delta_et -0.2467698E+00 Pxc 0.7440067E+01 Qxc -0.5064077E+01 3,-1 102 3 -1 1.605514 1.453576 -3.235643 Rho 0.2383321E+00 |GRAD(Rho)| 0.3256143E-10 GRAD(Rho)x 0.1701147E-10 GRAD(Rho)y 0.3319017E-11 GRAD(Rho)z -0.2756521E-10 Laplacian 0.8640978E+00 (-1/4)Del**2(Rho)) -0.2160244E+00 Diamond 0.3032665E+01 Metallicity 0.7306136E+01 Ellipticity 0.7852228E-02 Gb(Abramov) 0.4070670E+00 Vb(Abramov) -0.5981095E+00 Hb(Abramov) -0.1910425E+00 Ex_ueg -0.1091344E+00 Ec_ueg -0.1432389E-01 Delta_ex -0.1042222E+00 Delta_ec 0.1914865E-01 Delta_et -0.2652675E+00 Pxc 0.7619048E+01 Qxc -0.5442794E+01 3,-1 103 3 -1 1.880967 1.397585 -1.752199 Rho 0.1410178E+00 |GRAD(Rho)| 0.1239803E-14 GRAD(Rho)x -0.8611005E-15 GRAD(Rho)y 0.4972083E-18 GRAD(Rho)z -0.8919731E-15 Laplacian 0.5914377E+00 (-1/4)Del**2(Rho)) -0.1478594E+00 Diamond 0.1115805E+01 Metallicity 0.4451375E+01 Ellipticity 0.1618154E-01 Gb(Abramov) 0.2082692E+00 Vb(Abramov) -0.2686791E+00 Hb(Abramov) -0.6040982E-01 Ex_ueg -0.5421054E-01 Ec_ueg -0.7871028E-02 Delta_ex -0.6259370E-01 Delta_ec 0.1529274E-01 Delta_et -0.2018897E+00 Pxc 0.6887352E+01 Qxc -0.4093033E+01 3,-1 104 3 -1 1.115637 0.361042 -2.244978 Rho 0.1556974E+00 |GRAD(Rho)| 0.6205040E-15 GRAD(Rho)x -0.5451229E-16 GRAD(Rho)y 0.6149866E-15 GRAD(Rho)z -0.6200959E-16 Laplacian 0.6438755E+00 (-1/4)Del**2(Rho)) -0.1609689E+00 Diamond 0.1360277E+01 Metallicity 0.4822586E+01 Ellipticity 0.1346205E-01 Gb(Abramov) 0.2366936E+00 Vb(Abramov) -0.3124184E+00 Hb(Abramov) -0.7572475E-01 Ex_ueg -0.6186239E-01 Ec_ueg -0.8809219E-02 Delta_ex -0.6974366E-01 Delta_ec 0.1611267E-01 Delta_et -0.2154040E+00 Pxc 0.7022461E+01 Qxc -0.4328499E+01 3,-1 105 3 -1 1.733957 0.846442 2.507389 Rho 0.5827829E-01 |GRAD(Rho)| 0.9149505E-12 GRAD(Rho)x 0.1461123E-12 GRAD(Rho)y 0.8717588E-12 GRAD(Rho)z -0.2362671E-12 Laplacian 0.2291392E+00 (-1/4)Del**2(Rho)) -0.5728480E-01 Diamond 0.1400616E+00 Metallicity 0.2634461E+01 Ellipticity 0.1546487E-01 Gb(Abramov) 0.6334230E-01 Vb(Abramov) -0.6939980E-01 Hb(Abramov) -0.6057497E-02 Ex_ueg -0.1668761E-01 Ec_ueg -0.2877332E-02 Delta_ex -0.1950188E-01 Delta_ec 0.6631746E-02 Delta_et -0.7266776E-01 Pxc 0.5799682E+01 Qxc -0.2940685E+01 3,-1 106 3 -1 1.195619 0.740718 3.927487 Rho 0.1485514E+00 |GRAD(Rho)| 0.1378902E-14 GRAD(Rho)x 0.1359291E-14 GRAD(Rho)y -0.2307521E-15 GRAD(Rho)z -0.2121648E-16 Laplacian 0.5561901E+00 (-1/4)Del**2(Rho)) -0.1390475E+00 Diamond 0.1136816E+01 Metallicity 0.5162395E+01 Ellipticity 0.7244518E-01 Gb(Abramov) 0.2123347E+00 Vb(Abramov) -0.2856219E+00 Hb(Abramov) -0.7328719E-01 Ex_ueg -0.5810597E-01 Ec_ueg -0.8350848E-02 Delta_ex -0.5981700E-01 Delta_ec 0.1455586E-01 Delta_et -0.1944367E+00 Pxc 0.6958092E+01 Qxc -0.4109480E+01 3,-1 107 3 -1 2.024873 -1.530976 -0.512691 Rho 0.7575479E-01 |GRAD(Rho)| 0.1361910E-14 GRAD(Rho)x -0.8623405E-15 GRAD(Rho)y -0.8032989E-15 GRAD(Rho)z -0.6825527E-15 Laplacian 0.3339604E+00 (-1/4)Del**2(Rho)) -0.8349010E-01 Diamond 0.3091577E+00 Metallicity 0.2798563E+01 Ellipticity 0.5288867E-01 Gb(Abramov) 0.9460211E-01 Vb(Abramov) -0.1057141E+00 Hb(Abramov) -0.1111201E-01 Ex_ueg -0.2367365E-01 Ec_ueg -0.3881530E-02 Delta_ex -0.3084919E-01 Delta_ec 0.1041995E-01 Delta_et -0.1223559E+00 Pxc 0.6099051E+01 Qxc -0.2960589E+01 3,-1 108 3 -1 1.792343 2.297325 1.646639 Rho 0.3833316E-01 |GRAD(Rho)| 0.3845680E-16 GRAD(Rho)x 0.6474720E-17 GRAD(Rho)y 0.3702339E-16 GRAD(Rho)z 0.8140781E-17 Laplacian 0.1601243E+00 (-1/4)Del**2(Rho)) -0.4003109E-01 Diamond 0.5929371E-01 Metallicity 0.1875485E+01 Ellipticity 0.4519789E-01 Gb(Abramov) 0.3920034E-01 Vb(Abramov) -0.3836959E-01 Hb(Abramov) 0.8307483E-03 Ex_ueg -0.9545922E-02 Ec_ueg -0.1780930E-02 Delta_ex -0.1250317E-01 Delta_ec 0.5079589E-02 Delta_et -0.4993087E-01 Pxc 0.5360076E+01 Qxc -0.2461453E+01 3,-1 109 3 +1 1.905155 2.074401 2.280612 Rho 0.2729285E-01 |GRAD(Rho)| 0.1286555E-12 GRAD(Rho)x -0.1657380E-13 GRAD(Rho)y 0.9440231E-13 GRAD(Rho)z -0.8582393E-13 Laplacian 0.1036000E+00 (-1/4)Del**2(Rho)) -0.2590001E-01 Diamond 0.1292186E-01 Metallicity 0.1645640E+01 Ellipticity -0.2417076E+01 Gb(Abramov) 0.2437036E-01 Vb(Abramov) -0.2284070E-01 Hb(Abramov) 0.1529656E-02 Ex_ueg -0.6068998E-02 Ec_ueg -0.1204834E-02 Delta_ex -0.6367789E-02 Delta_ec 0.1349498E-02 Delta_et -0.1223700E-01 Pxc 0.5037205E+01 Qxc -0.4718636E+01 3,+1 110 3 -1 1.772549 -0.399403 3.330276 Rho 0.1508452E+00 |GRAD(Rho)| 0.5604403E-09 GRAD(Rho)x -0.2016613E-09 GRAD(Rho)y -0.5030642E-09 GRAD(Rho)z -0.1426621E-09 Laplacian 0.6261811E+00 (-1/4)Del**2(Rho)) -0.1565453E+00 Diamond 0.1275573E+01 Metallicity 0.4703980E+01 Ellipticity 0.3169281E-01 Gb(Abramov) 0.2270945E+00 Vb(Abramov) -0.2976437E+00 Hb(Abramov) -0.7054922E-01 Ex_ueg -0.5930530E-01 Ec_ueg -0.8497638E-02 Delta_ex -0.6731938E-01 Delta_ec 0.1583061E-01 Delta_et -0.2108197E+00 Pxc 0.6979034E+01 Qxc -0.4252483E+01 3,-1 111 3 -1 2.599954 0.342423 4.392839 Rho 0.2385689E+00 |GRAD(Rho)| 0.3481684E-14 GRAD(Rho)x 0.5032324E-15 GRAD(Rho)y -0.2921193E-14 GRAD(Rho)z 0.1826339E-14 Laplacian 0.8976771E+00 (-1/4)Del**2(Rho)) -0.2244193E+00 Diamond 0.3121545E+01 Metallicity 0.7044489E+01 Ellipticity 0.8098071E-02 Gb(Abramov) 0.4130994E+00 Vb(Abramov) -0.6017794E+00 Hb(Abramov) -0.1886801E+00 Ex_ueg -0.1092790E+00 Ec_ueg -0.1434024E-01 Delta_ex -0.1081247E+00 Delta_ec 0.1957329E-01 Delta_et -0.2697868E+00 Pxc 0.7620446E+01 Qxc -0.5524093E+01 3,-1 112 3 -1 2.382901 0.927262 0.935410 Rho 0.4784309E-01 |GRAD(Rho)| 0.8798853E-16 GRAD(Rho)x -0.8233711E-16 GRAD(Rho)y 0.2207071E-16 GRAD(Rho)z 0.2180517E-16 Laplacian 0.1870722E+00 (-1/4)Del**2(Rho)) -0.4676804E-01 Diamond 0.8774899E-01 Metallicity 0.2322573E+01 Ellipticity 0.2804462E-01 Gb(Abramov) 0.4928239E-01 Vb(Abramov) -0.5179675E-01 Hb(Abramov) -0.2514354E-02 Ex_ueg -0.1282756E-01 Ec_ueg -0.2295999E-02 Delta_ex -0.1515708E-01 Delta_ec 0.5448102E-02 Delta_et -0.5675759E-01 Pxc 0.5586918E+01 Qxc -0.2782085E+01 3,-1 113 3 -1 2.600740 4.347890 2.062090 Rho 0.2119273E+00 |GRAD(Rho)| 0.1603080E-10 GRAD(Rho)x 0.5714718E-11 GRAD(Rho)y 0.1441829E-10 GRAD(Rho)z 0.4054779E-11 Laplacian 0.7969023E+00 (-1/4)Del**2(Rho)) -0.1992256E+00 Diamond 0.2416009E+01 Metallicity 0.6514077E+01 Ellipticity 0.7898826E-02 Gb(Abramov) 0.3491122E+00 Vb(Abramov) -0.4989988E+00 Hb(Abramov) -0.1498866E+00 Ex_ueg -0.9331846E-01 Ec_ueg -0.1252015E-01 Delta_ex -0.9315875E-01 Delta_ec 0.1812728E-01 Delta_et -0.2490834E+00 Pxc 0.7453459E+01 Qxc -0.5139147E+01 3,-1 114 3 -1 2.904818 0.414747 2.890232 Rho 0.1353174E+00 |GRAD(Rho)| 0.2651376E-13 GRAD(Rho)x 0.1897793E-13 GRAD(Rho)y 0.1771650E-13 GRAD(Rho)z -0.5379892E-14 Laplacian 0.5290282E+00 (-1/4)Del**2(Rho)) -0.1322571E+00 Diamond 0.9509511E+00 Metallicity 0.4645763E+01 Ellipticity 0.3773948E-01 Gb(Abramov) 0.1905772E+00 Vb(Abramov) -0.2488973E+00 Hb(Abramov) -0.5832014E-01 Ex_ueg -0.5130857E-01 Ec_ueg -0.7510349E-02 Delta_ex -0.5544353E-01 Delta_ec 0.1384008E-01 Delta_et -0.1816041E+00 Pxc 0.6831716E+01 Qxc -0.4006012E+01 3,-1 115 3 -1 3.059616 -0.186339 0.139004 Rho 0.1912319E+00 |GRAD(Rho)| 0.1162868E-15 GRAD(Rho)x 0.5477931E-16 GRAD(Rho)y -0.5009014E-16 GRAD(Rho)z -0.8951444E-16 Laplacian 0.7968246E+00 (-1/4)Del**2(Rho)) -0.1992062E+00 Diamond 0.2125924E+01 Metallicity 0.5489311E+01 Ellipticity 0.2967655E-01 Gb(Abramov) 0.3150549E+00 Vb(Abramov) -0.4309035E+00 Hb(Abramov) -0.1158487E+00 Ex_ueg -0.8137025E-01 Ec_ueg -0.1113341E-01 Delta_ex -0.9066446E-01 Delta_ec 0.1852933E-01 Delta_et -0.2522630E+00 Pxc 0.7308655E+01 Qxc -0.4893024E+01 3,-1 116 3 -1 2.974058 1.088106 -0.443373 Rho 0.1411904E+00 |GRAD(Rho)| 0.1473792E-15 GRAD(Rho)x 0.2072181E-16 GRAD(Rho)y -0.9137791E-16 GRAD(Rho)z 0.1137599E-15 Laplacian 0.5735359E+00 (-1/4)Del**2(Rho)) -0.1433840E+00 Diamond 0.1088166E+01 Metallicity 0.4599684E+01 Ellipticity 0.1482305E-01 Gb(Abramov) 0.2055095E+00 Vb(Abramov) -0.2676350E+00 Hb(Abramov) -0.6212551E-01 Ex_ueg -0.5429903E-01 Ec_ueg -0.7881982E-02 Delta_ex -0.6076625E-01 Delta_ec 0.1491304E-01 Delta_et -0.1970974E+00 Pxc 0.6889007E+01 Qxc -0.4074706E+01 3,-1 117 3 -1 3.543922 1.719600 0.646073 Rho 0.1086563E+00 |GRAD(Rho)| 0.1942662E-14 GRAD(Rho)x -0.1816064E-15 GRAD(Rho)y -0.1863337E-14 GRAD(Rho)z -0.5185841E-15 Laplacian 0.4333111E+00 (-1/4)Del**2(Rho)) -0.1083278E+00 Diamond 0.5892078E+00 Metallicity 0.3934637E+01 Ellipticity 0.1079120E-01 Gb(Abramov) 0.1432569E+00 Vb(Abramov) -0.1781860E+00 Hb(Abramov) -0.3492914E-01 Ex_ueg -0.3829347E-01 Ec_ueg -0.5852336E-02 Delta_ex -0.4295768E-01 Delta_ec 0.1168496E-01 Delta_et -0.1472520E+00 Pxc 0.6543279E+01 Qxc -0.3676322E+01 3,-1 118 3 -1 3.518376 0.493037 1.393684 Rho 0.1350554E+00 |GRAD(Rho)| 0.5099439E-13 GRAD(Rho)x 0.1318098E-14 GRAD(Rho)y 0.6812561E-14 GRAD(Rho)z -0.5052009E-13 Laplacian 0.5151389E+00 (-1/4)Del**2(Rho)) -0.1287847E+00 Diamond 0.9263163E+00 Metallicity 0.4755637E+01 Ellipticity 0.3802343E-01 Gb(Abramov) 0.1879320E+00 Vb(Abramov) -0.2470794E+00 Hb(Abramov) -0.5914732E-01 Ex_ueg -0.5117615E-01 Ec_ueg -0.7493821E-02 Delta_ex -0.5399104E-01 Delta_ec 0.1353385E-01 Delta_et -0.1776315E+00 Pxc 0.6829113E+01 Qxc -0.3989333E+01 3,-1 119 3 -1 4.351642 0.567208 0.089871 Rho 0.2377424E+00 |GRAD(Rho)| 0.8623852E-15 GRAD(Rho)x -0.8207410E-15 GRAD(Rho)y 0.1233822E-15 GRAD(Rho)z 0.2342419E-15 Laplacian 0.8750589E+00 (-1/4)Del**2(Rho)) -0.2187647E+00 Diamond 0.3052005E+01 Metallicity 0.7184893E+01 Ellipticity 0.7492262E-02 Gb(Abramov) 0.4078100E+00 Vb(Abramov) -0.5968553E+00 Hb(Abramov) -0.1890453E+00 Ex_ueg -0.1087746E+00 Ec_ueg -0.1428319E-01 Delta_ex -0.1054222E+00 Delta_ec 0.1930961E-01 Delta_et -0.2670540E+00 Pxc 0.7615563E+01 Qxc -0.5459572E+01 3,-1 120 3 -1 -2.801408 -1.699682 0.887652 Rho 0.1996195E+00 |GRAD(Rho)| 0.8652351E-16 GRAD(Rho)x 0.7096103E-16 GRAD(Rho)y -0.4656648E-16 GRAD(Rho)z 0.1680513E-16 Laplacian 0.7722531E+00 (-1/4)Del**2(Rho)) -0.1930633E+00 Diamond 0.2188373E+01 Metallicity 0.6084037E+01 Ellipticity 0.8085002E-02 Gb(Abramov) 0.3244762E+00 Vb(Abramov) -0.4558891E+00 Hb(Abramov) -0.1314129E+00 Ex_ueg -0.8616332E-01 Ec_ueg -0.1169256E-01 Delta_ex -0.8896621E-01 Delta_ec 0.1797801E-01 Delta_et -0.2464050E+00 Pxc 0.7369073E+01 Qxc -0.4948614E+01 3,-1 121 3 -1 0.294674 -2.483073 -1.085334 Rho 0.1777080E+00 |GRAD(Rho)| 0.5933943E-14 GRAD(Rho)x 0.5696669E-14 GRAD(Rho)y 0.1658612E-14 GRAD(Rho)z 0.9296356E-16 Laplacian 0.6829199E+00 (-1/4)Del**2(Rho)) -0.1707300E+00 Diamond 0.1705323E+01 Metallicity 0.5667895E+01 Ellipticity 0.3998146E-01 Gb(Abramov) 0.2750999E+00 Vb(Abramov) -0.3794699E+00 Hb(Abramov) -0.1043699E+00 Ex_ueg -0.7378948E-01 Ec_ueg -0.1024024E-01 Delta_ex -0.7656602E-01 Delta_ec 0.1672083E-01 Delta_et -0.2276786E+00 Pxc 0.7205837E+01 Qxc -0.4579081E+01 3,-1 122 3 -1 0.784707 -3.468386 2.861953 Rho 0.2091504E+00 |GRAD(Rho)| 0.1252877E-13 GRAD(Rho)x 0.1089577E-13 GRAD(Rho)y -0.7103693E-15 GRAD(Rho)z 0.6143903E-14 Laplacian 0.7934380E+00 (-1/4)Del**2(Rho)) -0.1983595E+00 Diamond 0.2366973E+01 Metallicity 0.6400268E+01 Ellipticity 0.3866144E-02 Gb(Abramov) 0.3438320E+00 Vb(Abramov) -0.4893045E+00 Hb(Abramov) -0.1454725E+00 Ex_ueg -0.9169172E-01 Ec_ueg -0.1233270E-01 Delta_ex -0.9243494E-01 Delta_ec 0.1810765E-01 Delta_et -0.2485725E+00 Pxc 0.7434846E+01 Qxc -0.5104746E+01 3,-1 123 3 -1 1.466155 3.681752 1.202209 Rho 0.1462824E+00 |GRAD(Rho)| 0.4522903E-15 GRAD(Rho)x -0.1005326E-15 GRAD(Rho)y 0.3389758E-15 GRAD(Rho)z 0.2820552E-15 Laplacian 0.6238152E+00 (-1/4)Del**2(Rho)) -0.1559538E+00 Diamond 0.1225867E+01 Metallicity 0.4486189E+01 Ellipticity 0.2931751E-01 Gb(Abramov) 0.2205756E+00 Vb(Abramov) -0.2851973E+00 Hb(Abramov) -0.6462177E-01 Ex_ueg -0.5692565E-01 Ec_ueg -0.8205963E-02 Delta_ex -0.6657276E-01 Delta_ec 0.1591233E-01 Delta_et -0.2110439E+00 Pxc 0.6937108E+01 Qxc -0.4183723E+01 3,-1 124 3 -1 2.267692 1.554617 3.519082 Rho 0.1310377E+00 |GRAD(Rho)| 0.3041924E-13 GRAD(Rho)x -0.3249910E-14 GRAD(Rho)y -0.2997773E-13 GRAD(Rho)z 0.4012955E-14 Laplacian 0.5007812E+00 (-1/4)Del**2(Rho)) -0.1251953E+00 Diamond 0.8657599E+00 Metallicity 0.4651850E+01 Ellipticity 0.5887413E-02 Gb(Abramov) 0.1805285E+00 Vb(Abramov) -0.2358617E+00 Hb(Abramov) -0.5533320E-01 Ex_ueg -0.4915641E-01 Ec_ueg -0.7240944E-02 Delta_ex -0.5207342E-01 Delta_ec 0.1319563E-01 Delta_et -0.1722482E+00 Pxc 0.6788674E+01 Qxc -0.3946263E+01 3,-1 125 3 -1 3.003933 3.033147 1.315318 Rho 0.1639863E+00 |GRAD(Rho)| 0.5198404E-14 GRAD(Rho)x -0.3895701E-14 GRAD(Rho)y 0.2529281E-14 GRAD(Rho)z 0.2334450E-14 Laplacian 0.6361840E+00 (-1/4)Del**2(Rho)) -0.1590460E+00 Diamond 0.1465780E+01 Metallicity 0.5321609E+01 Ellipticity 0.3978661E-01 Gb(Abramov) 0.2470941E+00 Vb(Abramov) -0.3351422E+00 Hb(Abramov) -0.8804812E-01 Ex_ueg -0.6629210E-01 Ec_ueg -0.9344769E-02 Delta_ex -0.7011581E-01 Delta_ec 0.1627053E-01 Delta_et -0.2204192E+00 Pxc 0.7094034E+01 Qxc -0.4309375E+01 3,-1 126 3 -1 -1.820337 3.028235 1.433055 Rho 0.3180594E+00 |GRAD(Rho)| 0.7286210E-15 GRAD(Rho)x -0.2418735E-15 GRAD(Rho)y 0.5088542E-15 GRAD(Rho)z -0.4620099E-15 Laplacian -0.1584112E+01 (-1/4)Del**2(Rho)) 0.3960280E+00 Diamond 0.5510811E+01 Metallicity -0.6446753E+01 Ellipticity 0.7017629E-03 Gb(Abramov) 0.1614971E+00 Vb(Abramov) -0.7190221E+00 Hb(Abramov) -0.5575250E+00 Ex_ueg -0.1603477E+00 Ec_ueg -0.2000239E-01 Delta_ex 0.1573196E+00 Delta_ec 0.5536560E-01 Delta_et -0.1310627E+01 Pxc 0.8016424E+01 Qxc 0.2841468E+01 3,-1 127 3 -1 2.323560 2.938610 2.702059 Rho 0.1355969E+00 |GRAD(Rho)| 0.2143157E-15 GRAD(Rho)x 0.2060154E-16 GRAD(Rho)y -0.1618714E-15 GRAD(Rho)z -0.1389405E-15 Laplacian 0.5491845E+00 (-1/4)Del**2(Rho)) -0.1372961E+00 Diamond 0.1002445E+01 Metallicity 0.4490669E+01 Ellipticity 0.4581999E-01 Gb(Abramov) 0.1942893E+00 Vb(Abramov) -0.2512825E+00 Hb(Abramov) -0.5699320E-01 Ex_ueg -0.5144991E-01 Ec_ueg -0.7527983E-02 Delta_ex -0.5773075E-01 Delta_ec 0.1462095E-01 Delta_et -0.1924277E+00 Pxc 0.6834488E+01 Qxc -0.3948494E+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 77 97 100 85 122 51 71 67 80 81 66 83 112 119 115 116 118 117 55 48 120 68 50 102 86 104 103 90 94 113 108 123 127 125 105 106 110 124 114 111 92 101 98 107 121 84 60 53 49 59 57 76 72 65 74 87 88 89 126 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 15 16 17 23 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 36 42 43 36 36 43 42 2.388491 2.008203 1.881616 1.901226 1.796087 1.815091 2.367180 1.981840 2.026292 1.786867 2.039666 2.090568 2.392626 1.747120 1.820760 1.939482 1.969071 2.052691 2.421842 2.058201 1.813880 2.285444 2.099023 1.746399 2.485828 1.901185 1.936019 1.990785 1.897881 1.791259 2.477289 1.919048 1.958844 1.886287 2.316757 1.934837 1.912176 1.981656 1.966145 1.745087 2.585749 1.795428 1.996263 2.174724 1.859146 2.060323 2.483593 1.903592 1.796225 1.918256 1.932553 1.717355 1.688016 1.792055 1.653248 1.718745 1.748946 1.016642 0.997208 2.390733 2.008448 1.881741 1.901519 1.796098 1.815121 2.369187 1.982832 2.026387 1.786882 2.040099 2.090842 2.394155 1.747131 1.821075 1.939819 1.969654 2.053473 2.423823 2.058280 1.813892 2.285757 2.099440 1.746407 2.487290 1.901508 1.936559 1.991424 1.898442 1.791267 2.478948 1.919199 1.959221 1.886431 2.318010 1.936120 1.912442 1.982288 1.966764 1.745101 2.587259 1.795456 1.996560 2.175056 1.859326 2.060811 2.485243 1.903715 1.796235 1.918497 1.932828 1.717417 1.688054 1.798144 1.657016 1.718799 1.748975 1.016719 0.997265 27 26 25 25 24 23 27 26 25 25 24 26 29 25 23 24 25 24 28 24 23 27 26 23 29 26 27 25 25 25 29 24 25 24 29 25 27 25 25 26 29 26 25 26 22 26 29 25 24 25 25 23 21 24 24 23 24 19 18 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 Ta O Ta W Ta W Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.1983 -0.9912 2.2190 2.4514 2.0310 2.4338 2.2404 -0.8214 -0.9430 2.4579 2.1315 2.2110 -1.0871 -0.9237 -1.0985 -1.1148 -0.8103 -1.0517 -0.9471 -0.9876 -0.8180 -0.9232 -0.8732 -1.0139 -1.0465 -0.9273 -0.9694 -0.9756 -1.0083 -0.9560 -1.0236 -1.0231 -1.0278 -1.0503 -0.9890 2.2865 -0.8070 -1.0154 -1.0449 -0.9980 -0.9488 0.2813 0.2736 2.1142 1.9344 2.1291 2.1058 2.1609 2.1138 2.0980 1.9614 1.9445 2.1185 2.1379 2.1044 1.9368 1.9556 1.9327 1.9259 1.8750 1.9208 1.9412 1.9271 1.9611 1.9411 1.8678 1.9246 1.9207 1.9435 1.9303 1.9329 1.9358 1.9426 1.9365 1.9349 1.9359 1.9304 1.9400 0.8783 1.9618 1.9398 1.9302 1.9377 1.9423 0.5643 0.5569 6.0773 5.0329 6.0831 6.0944 6.1071 6.1035 6.0678 4.8259 4.9713 6.0996 6.0884 6.0784 5.1163 4.9331 5.1311 5.1543 4.9050 5.1078 4.9795 5.0327 4.8229 4.9516 4.9774 5.0643 5.1030 4.9566 5.0087 5.0183 5.0474 4.9868 5.0560 5.0593 5.0616 5.0935 5.0188 1.2811 4.8110 5.0446 5.0879 5.0327 4.9800 0.1544 0.1695 2.5783 0.0239 2.5353 3.3192 2.6689 3.3194 2.5619 0.0341 0.0273 3.2950 2.6095 2.5743 0.0339 0.0350 0.0347 0.0346 0.0302 0.0230 0.0264 0.0277 0.0340 0.0305 0.0280 0.0250 0.0227 0.0272 0.0304 0.0244 0.0251 0.0267 0.0312 0.0289 0.0304 0.0264 0.0303 10.5541 0.0343 0.0310 0.0268 0.0276 0.0266 0.0000 0.0000 14.0318 0.0000 14.0335 14.0292 14.0321 14.0294 14.0319 0.0000 0.0000 14.0291 14.0327 14.0319 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 Ta O Ta W Ta W Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.291594 -1.096343 2.371930 2.495371 2.304108 2.502706 2.292598 -0.862295 -1.022547 2.513006 2.322653 2.284828 -1.101677 -0.859725 -1.107042 -1.111739 -0.659400 -1.077545 -1.033183 -1.007036 -0.859194 -0.952202 -0.703726 -1.020445 -1.062361 -1.005891 -0.978440 -1.075322 -1.059874 -1.041001 -1.007412 -1.013490 -1.022658 -1.054194 -0.974858 2.295150 -0.847858 -0.999870 -1.063846 -1.001939 -1.034081 0.016936 0.026319 1.826982 -1.039963 1.881381 1.933561 1.848460 1.940205 1.814129 -0.772349 -0.947488 1.953676 1.835614 1.809893 -0.749734 -0.698881 -0.757409 -0.748718 -0.803200 -0.818854 -0.966704 -0.752539 -0.765289 -0.731537 -0.899707 -0.760152 -0.805924 -0.923126 -0.723668 -1.027738 -0.913119 -0.971992 -0.841796 -0.831167 -0.870942 -0.883923 -0.794698 1.697840 -0.739610 -0.852305 -0.899305 -0.837100 -0.963606 0.284845 0.265959 1.965188 -1.024896 1.961902 2.034967 1.944247 2.048458 1.938571 -0.730855 -0.938211 2.073515 1.938621 1.962946 -0.846358 -0.759043 -0.815381 -0.812000 -0.844222 -0.921796 -0.940704 -0.852083 -0.725217 -0.805277 -0.918494 -0.886741 -0.909526 -0.900069 -0.806285 -1.033312 -0.957749 -0.969059 -0.875085 -0.904373 -0.894505 -0.949111 -0.863516 1.692684 -0.714441 -0.880422 -0.950028 -0.900627 -0.957818 0.349758 0.376346 -3.51886089 -5.88467839 -5.41768082 8.73859756 22.48573886 -46.46703574 -70.05639785 -77.62624599 17.80289644 55.14050713 -288.8874 337.2524 -23.1024 -343.8106 -60.7385 -379.2864 Jun20-2024 08:12:48 Nodes: 1 Procs: 1 Jun20-2024 08:12:51 Nodes: 1 Procs: 1 0 Jun20-2024 08:12:54 Nodes: 1 Procs: 1 Jun20-2024 08:12:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 08:13:00 Nodes: 1 Procs: 1 Jun20-2024 08:13:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:13:07 Nodes: 1 Procs: 1 Jun20-2024 08:13:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 08:13:15 Nodes: 1 Procs: 1 Jun20-2024 08:13:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 08:13:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -13.32914993 -13.64551616 -13.73997769 -13.78889823 -13.84791995 -13.86749956 -13.87526444 -13.88718218 -13.89338409 -13.89547360 -13.89825116 -13.90368585 -13.90452809 -13.90527983 -13.90910821 -13.91017485 -13.91075246 -13.91190918 -13.91354649 -13.91579379 -13.91610777 -13.89527698 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-13.93847121 -13.93846936 -13.93846449 -13.93846046 -13.93845974 -13.93846410 -13.93848207 -13.93848845 -13.93849199 -13.93849596 -13.93849492 -13.93849140 -13.93849319 -13.93849495 -13.93849735 -13.93849789 -13.93850739 -13.93851730 GEOMETRY CONVERGED