ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar24-2024 20:59:43 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.68 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 Mar24-2024 20:59:43 Nodes: 1 Procs: 1 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar24-2024 20:59:44 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 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 Mar24-2024 20:59:43 Nodes: 1 Procs: 1 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 0 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 Mar24-2024 20:59:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar24-2024 20:59:46 Phosphorus (TZP, 1s frozen) 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 Mar24-2024 20:59:43 Nodes: 1 Procs: 1 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 0 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 Mar24-2024 20:59:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar24-2024 20:59:46 Nodes: 1 Procs: 1 Mar24-2024 20:59:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar24-2024 20:59:47 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 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 Mar24-2024 20:59:43 Nodes: 1 Procs: 1 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 0 Mar24-2024 20:59:44 Nodes: 1 Procs: 1 Mar24-2024 20:59:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar24-2024 20:59:46 Nodes: 1 Procs: 1 Mar24-2024 20:59:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar24-2024 20:59:47 Nodes: 1 Procs: 1 Mar24-2024 20:59:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar24-2024 20:59:50 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2789.129761000006 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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 Mar24-2024 20:59:48 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Mar24-2024 20:59:45 1 1 Molybdenum TZP 3d t21.O ADF 2019 Mar24-2024 20:59:46 1 1 Oxygen TZP 1s t21.P ADF 2019 Mar24-2024 20:59:44 1 1 Phosphorus TZP 1s 1 1 -17.02522646 0.02016661 0.00100000 F 0.00660802 0.00066667 F 0.02016661 0.00660802 0.00852526 0.01000000 T 0.00359316 0.00666667 T Cartesian 2789.129761000006 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3,-3 48 3 -3 -3.747251 -3.749656 0.195351 Rho 0.3194097E+03 3,-3 49 3 -3 -3.753088 0.188191 -3.747454 Rho 0.3194095E+03 3,-3 50 3 -3 -3.750896 -0.191718 3.746197 Rho 0.3194097E+03 3,-3 51 3 -3 3.751271 0.194811 3.745896 Rho 0.3194092E+03 3,-3 52 3 -3 3.745015 -0.194513 -3.744118 Rho 0.3194092E+03 3,-3 53 3 -3 0.006046 -0.000672 0.000536 Rho 0.2439498E+04 3,-3 54 3 -1 -1.685636 -1.687755 -0.487087 Rho 0.3933853E-01 |GRAD(Rho)| 0.1265153E-14 GRAD(Rho)x -0.9745258E-15 GRAD(Rho)y -0.6371858E-15 GRAD(Rho)z 0.4948792E-15 Laplacian 0.1557401E+00 (-1/4)Del**2(Rho)) -0.3893501E-01 Diamond 0.5607778E-01 Metallicity 0.2013306E+01 Ellipticity 0.1062716E-01 Gb(Abramov) 0.3902136E-01 Vb(Abramov) -0.3910770E-01 Hb(Abramov) -0.8634419E-04 Ex_ueg -0.9881190E-02 Ec_ueg -0.1834632E-02 Delta_ex -0.1202084E-01 Delta_ec 0.4552325E-02 Delta_et -0.4502916E-01 Pxc 0.5385925E+01 Qxc -0.2640593E+01 3,-1 55 3 -1 -2.782271 -1.810467 0.578497 Rho 0.1442424E+00 |GRAD(Rho)| 0.1023420E-11 GRAD(Rho)x -0.2309921E-12 GRAD(Rho)y 0.7386662E-12 GRAD(Rho)z 0.6696297E-12 Laplacian 0.6091854E+00 (-1/4)Del**2(Rho)) -0.1522963E+00 Diamond 0.1180804E+01 Metallicity 0.4487645E+01 Ellipticity 0.8700302E-02 Gb(Abramov) 0.2154395E+00 Vb(Abramov) -0.2785827E+00 Hb(Abramov) -0.6314320E-01 Ex_ueg -0.5586960E-01 Ec_ueg -0.8075968E-02 Delta_ex -0.6482730E-01 Delta_ec 0.1566252E-01 Delta_et -0.2074616E+00 Pxc 0.6918007E+01 Qxc -0.4139009E+01 3,-1 56 3 -1 -3.197503 -3.199432 0.062888 Rho 0.2543829E+00 |GRAD(Rho)| 0.4691870E-15 GRAD(Rho)x -0.4242483E-15 GRAD(Rho)y -0.1401873E-15 GRAD(Rho)z 0.1431689E-15 Laplacian 0.9133630E+00 (-1/4)Del**2(Rho)) -0.2283408E+00 Diamond 0.3460718E+01 Metallicity 0.7705180E+01 Ellipticity 0.8759322E-03 Gb(Abramov) 0.4454616E+00 Vb(Abramov) -0.6625825E+00 Hb(Abramov) -0.2171209E+00 Ex_ueg -0.1190425E+00 Ec_ueg -0.1543902E-01 Delta_ex -0.1120288E+00 Delta_ec 0.1979114E-01 Delta_et -0.2743875E+00 Pxc 0.7710498E+01 Qxc -0.5660554E+01 3,-1 57 3 +1 -0.541864 -1.687909 0.538195 Rho 0.8696522E-02 |GRAD(Rho)| 0.1907811E-16 GRAD(Rho)x 0.2571592E-17 GRAD(Rho)y -0.1149254E-16 GRAD(Rho)z 0.1500942E-16 Laplacian 0.3629685E-01 (-1/4)Del**2(Rho)) -0.9074213E-02 Diamond 0.1040412E-02 Metallicity 0.6982114E+00 Ellipticity -0.1434042E+01 Gb(Abramov) 0.7105428E-02 Vb(Abramov) -0.5136644E-02 Hb(Abramov) 0.1968784E-02 Ex_ueg -0.1320827E-02 Ec_ueg -0.3093009E-03 Delta_ex -0.1686924E-02 Delta_ec 0.5536923E-03 Delta_et -0.3760573E-02 Pxc 0.4270363E+01 Qxc -0.3046681E+01 3,+1 58 3 -1 -2.777708 1.812690 -0.579001 Rho 0.1429982E+00 |GRAD(Rho)| 0.4858507E-11 GRAD(Rho)x -0.4060065E-12 GRAD(Rho)y 0.2745846E-11 GRAD(Rho)z 0.3987552E-11 Laplacian 0.6042615E+00 (-1/4)Del**2(Rho)) -0.1510654E+00 Diamond 0.1159570E+01 Metallicity 0.4459360E+01 Ellipticity 0.8614307E-02 Gb(Abramov) 0.2129861E+00 Vb(Abramov) -0.2749068E+00 Hb(Abramov) -0.6192070E-01 Ex_ueg -0.5522799E-01 Ec_ueg -0.7996816E-02 Delta_ex -0.6417204E-01 Delta_ec 0.1557716E-01 Delta_et -0.2060855E+00 Pxc 0.6906247E+01 Qxc -0.4119625E+01 3,-1 59 3 -1 -2.969675 1.977395 0.837486 Rho 0.1418774E+00 |GRAD(Rho)| 0.2151751E-13 GRAD(Rho)x 0.7317565E-14 GRAD(Rho)y 0.1320840E-13 GRAD(Rho)z -0.1532953E-13 Laplacian 0.5660983E+00 (-1/4)Del**2(Rho)) -0.1415246E+00 Diamond 0.1077031E+01 Metallicity 0.4697967E+01 Ellipticity 0.2788257E-01 Gb(Abramov) 0.2051627E+00 Vb(Abramov) -0.2688008E+00 Hb(Abramov) -0.6363811E-01 Ex_ueg -0.5465157E-01 Ec_ueg -0.7925595E-02 Delta_ex -0.6001370E-01 Delta_ec 0.1463899E-01 Delta_et -0.1934841E+00 Pxc 0.6895580E+01 Qxc -0.4099579E+01 3,-1 60 3 +1 -1.992820 1.992500 1.994596 Rho 0.1266633E-01 |GRAD(Rho)| 0.3389085E-14 GRAD(Rho)x 0.1559664E-14 GRAD(Rho)y -0.2143188E-14 GRAD(Rho)z -0.2111892E-14 Laplacian 0.6008783E-01 (-1/4)Del**2(Rho)) -0.1502196E-01 Diamond 0.2142515E-02 Metallicity 0.7893047E+00 Ellipticity -0.1154228E+01 Gb(Abramov) 0.1199079E-01 Vb(Abramov) -0.8959619E-02 Hb(Abramov) 0.3031169E-02 Ex_ueg -0.2180651E-02 Ec_ueg -0.4904158E-03 Delta_ex -0.2874938E-02 Delta_ec 0.5636593E-03 Delta_et -0.4443860E-02 Pxc 0.4446534E+01 Qxc -0.5100489E+01 3,+1 61 3 +3 0.004664 0.020849 -2.357503 Rho 0.4336700E-02 |GRAD(Rho)| 0.2479510E-13 GRAD(Rho)x 0.2101040E-13 GRAD(Rho)y -0.5969026E-14 GRAD(Rho)z -0.1173589E-13 Laplacian 0.1792643E-01 (-1/4)Del**2(Rho)) -0.4481609E-02 Diamond 0.1563535E-03 Metallicity 0.4433209E+00 Ellipticity -0.3013114E+00 Gb(Abramov) 0.3318871E-02 Vb(Abramov) -0.2156133E-02 Hb(Abramov) 0.1162738E-02 Ex_ueg -0.5223131E-03 Ec_ueg -0.1184809E-03 Delta_ex -0.6553145E-03 Delta_ec 0.1858246E-03 Delta_et -0.1122013E-02 Pxc 0.4408415E+01 Qxc -0.3526522E+01 3,+3 62 3 +3 -1.090570 1.115657 -1.117770 Rho 0.4872160E-02 |GRAD(Rho)| 0.2230847E-13 GRAD(Rho)x -0.2437096E-14 GRAD(Rho)y -0.2189105E-13 GRAD(Rho)z -0.3536989E-14 Laplacian 0.1993182E-01 (-1/4)Del**2(Rho)) -0.4982954E-02 Diamond 0.1442958E-03 Metallicity 0.4841006E+00 Ellipticity -0.4152903E-01 Gb(Abramov) 0.3724011E-02 Vb(Abramov) -0.2465068E-02 Hb(Abramov) 0.1258943E-02 Ex_ueg -0.6100243E-03 Ec_ueg -0.1414155E-03 Delta_ex -0.6932703E-03 Delta_ec 0.1048871E-03 Delta_et -0.7771448E-03 Pxc 0.4313702E+01 Qxc -0.6609680E+01 3,+3 63 3 -1 -1.974077 2.974410 0.841579 Rho 0.1431382E+00 |GRAD(Rho)| 0.3853415E-09 GRAD(Rho)x 0.2128218E-09 GRAD(Rho)y 0.1580398E-09 GRAD(Rho)z 0.2796754E-09 Laplacian 0.5708083E+00 (-1/4)Del**2(Rho)) -0.1427021E+00 Diamond 0.1097626E+01 Metallicity 0.4728412E+01 Ellipticity 0.2995324E-01 Gb(Abramov) 0.2075938E+00 Vb(Abramov) -0.2724854E+00 Hb(Abramov) -0.6489168E-01 Ex_ueg -0.5530007E-01 Ec_ueg -0.8005715E-02 Delta_ex -0.6064404E-01 Delta_ec 0.1472951E-01 Delta_et -0.1949385E+00 Pxc 0.6907574E+01 Qxc -0.4117180E+01 3,-1 64 3 +1 -1.751539 1.766170 -1.763976 Rho 0.1228704E-01 |GRAD(Rho)| 0.3815516E-12 GRAD(Rho)x 0.3241904E-12 GRAD(Rho)y 0.1414498E-12 GRAD(Rho)z -0.1430878E-12 Laplacian 0.6214464E-01 (-1/4)Del**2(Rho)) -0.1553616E-01 Diamond 0.2570967E-02 Metallicity 0.7254737E+00 Ellipticity -0.1247279E+01 Gb(Abramov) 0.1223595E-01 Vb(Abramov) -0.8935745E-02 Hb(Abramov) 0.3300207E-02 Ex_ueg -0.2094023E-02 Ec_ueg -0.4728360E-03 Delta_ex -0.3073459E-02 Delta_ec 0.8060159E-03 Delta_et -0.6079251E-02 Pxc 0.4428646E+01 Qxc -0.3813150E+01 3,+1 65 3 +1 -0.525747 1.691402 -0.555784 Rho 0.8399728E-02 |GRAD(Rho)| 0.1161821E-15 GRAD(Rho)x -0.1147476E-15 GRAD(Rho)y -0.1479258E-16 GRAD(Rho)z -0.1060485E-16 Laplacian 0.3474407E-01 (-1/4)Del**2(Rho)) -0.8686017E-02 Diamond 0.9686187E-03 Metallicity 0.6884005E+00 Ellipticity -0.1451590E+01 Gb(Abramov) 0.6787254E-02 Vb(Abramov) -0.4888492E-02 Hb(Abramov) 0.1898763E-02 Ex_ueg -0.1261068E-02 Ec_ueg -0.2960283E-03 Delta_ex -0.1609527E-02 Delta_ec 0.5455237E-03 Delta_et -0.3659764E-02 Pxc 0.4259959E+01 Qxc -0.2950424E+01 3,+1 66 3 +1 -1.183517 2.112566 1.176631 Rho 0.2541644E-01 |GRAD(Rho)| 0.2924244E-16 GRAD(Rho)x -0.1176399E-16 GRAD(Rho)y 0.2448526E-16 GRAD(Rho)z 0.1082592E-16 Laplacian 0.1027015E+00 (-1/4)Del**2(Rho)) -0.2567536E-01 Diamond 0.1510765E-01 Metallicity 0.1474216E+01 Ellipticity -0.6913291E+01 Gb(Abramov) 0.2342541E-01 Vb(Abramov) -0.2117546E-01 Hb(Abramov) 0.2249951E-02 Ex_ueg -0.5519138E-02 Ec_ueg -0.1109704E-02 Delta_ex -0.6560905E-02 Delta_ec 0.2001952E-02 Delta_et -0.1768600E-01 Pxc 0.4973523E+01 Qxc -0.3277253E+01 3,+1 67 3 -1 -1.808603 2.788330 -0.579165 Rho 0.1458059E+00 |GRAD(Rho)| 0.5882680E-15 GRAD(Rho)x 0.4332201E-15 GRAD(Rho)y 0.7470153E-16 GRAD(Rho)z -0.3908955E-15 Laplacian 0.6124748E+00 (-1/4)Del**2(Rho)) -0.1531187E+00 Diamond 0.1201376E+01 Metallicity 0.4544474E+01 Ellipticity 0.1144457E-01 Gb(Abramov) 0.2180531E+00 Vb(Abramov) -0.2829875E+00 Hb(Abramov) -0.6493443E-01 Ex_ueg -0.5667854E-01 Ec_ueg -0.8175576E-02 Delta_ex -0.6533618E-01 Delta_ec 0.1568183E-01 Delta_et -0.2079919E+00 Pxc 0.6932666E+01 Qxc -0.4166361E+01 3,-1 68 3 -1 1.686944 -1.692313 0.494086 Rho 0.3963083E-01 |GRAD(Rho)| 0.8731599E-16 GRAD(Rho)x -0.7928038E-16 GRAD(Rho)y 0.2625760E-16 GRAD(Rho)z 0.2548023E-16 Laplacian 0.1571387E+00 (-1/4)Del**2(Rho)) -0.3928466E-01 Diamond 0.5714535E-01 Metallicity 0.2020159E+01 Ellipticity 0.1111962E-01 Gb(Abramov) 0.3941665E-01 Vb(Abramov) -0.3954864E-01 Hb(Abramov) -0.1319869E-03 Ex_ueg -0.9979206E-02 Ec_ueg -0.1850281E-02 Delta_ex -0.1215062E-01 Delta_ec 0.4592081E-02 Delta_et -0.4551275E-01 Pxc 0.5393347E+01 Qxc -0.2645994E+01 3,-1 69 3 -1 -1.686904 -0.490070 -1.688366 Rho 0.3935966E-01 |GRAD(Rho)| 0.2456210E-15 GRAD(Rho)x 0.8910935E-16 GRAD(Rho)y -0.1915032E-15 GRAD(Rho)z -0.1253624E-15 Laplacian 0.1560810E+00 (-1/4)Del**2(Rho)) -0.3902025E-01 Diamond 0.5626941E-01 Metallicity 0.2010707E+01 Ellipticity 0.1127288E-01 Gb(Abramov) 0.3908988E-01 Vb(Abramov) -0.3915951E-01 Hb(Abramov) -0.6963076E-04 Ex_ueg -0.9888268E-02 Ec_ueg -0.1835763E-02 Delta_ex -0.1205041E-01 Delta_ec 0.4565219E-02 Delta_et -0.4516353E-01 Pxc 0.5386463E+01 Qxc -0.2639613E+01 3,-1 70 3 +1 -1.192187 -2.111414 -1.168312 Rho 0.2538876E-01 |GRAD(Rho)| 0.3053605E-16 GRAD(Rho)x -0.2138384E-16 GRAD(Rho)y -0.2179254E-16 GRAD(Rho)z -0.5167411E-18 Laplacian 0.1024572E+00 (-1/4)Del**2(Rho)) -0.2561431E-01 Diamond 0.1501976E-01 Metallicity 0.1475048E+01 Ellipticity -0.6791201E+01 Gb(Abramov) 0.2337326E-01 Vb(Abramov) -0.2113222E-01 Hb(Abramov) 0.2241047E-02 Ex_ueg -0.5511125E-02 Ec_ueg -0.1108307E-02 Delta_ex -0.6540308E-02 Delta_ec 0.1991601E-02 Delta_et -0.1759073E-01 Pxc 0.4972561E+01 Qxc -0.3283945E+01 3,+1 71 3 +1 -1.993582 -1.992646 -1.994115 Rho 0.1266707E-01 |GRAD(Rho)| 0.1230400E-12 GRAD(Rho)x 0.3544716E-13 GRAD(Rho)y -0.1123910E-12 GRAD(Rho)z 0.3536383E-13 Laplacian 0.6008679E-01 (-1/4)Del**2(Rho)) -0.1502170E-01 Diamond 0.2142569E-02 Metallicity 0.7893949E+00 Ellipticity -0.1154211E+01 Gb(Abramov) 0.1199081E-01 Vb(Abramov) -0.8959915E-02 Hb(Abramov) 0.3030891E-02 Ex_ueg -0.2180820E-02 Ec_ueg -0.4904501E-03 Delta_ex -0.2874913E-02 Delta_ec 0.5636109E-03 Delta_et -0.4443573E-02 Pxc 0.4446569E+01 Qxc -0.5100882E+01 3,+1 72 3 +3 -0.000029 -2.356078 -0.001125 Rho 0.4428118E-02 |GRAD(Rho)| 0.1053273E-11 GRAD(Rho)x 0.5158727E-12 GRAD(Rho)y 0.7558436E-12 GRAD(Rho)z 0.5214970E-12 Laplacian 0.1835757E-01 (-1/4)Del**2(Rho)) -0.4589392E-02 Diamond 0.1631451E-03 Metallicity 0.4482256E+00 Ellipticity -0.2779373E+00 Gb(Abramov) 0.3402442E-02 Vb(Abramov) -0.2215492E-02 Hb(Abramov) 0.1186950E-02 Ex_ueg -0.5370449E-03 Ec_ueg -0.1223860E-03 Delta_ex -0.6728824E-03 Delta_ec 0.1872540E-03 Delta_et -0.1140309E-02 Pxc 0.4388124E+01 Qxc -0.3593420E+01 3,+3 73 3 +1 0.090499 0.103738 -2.910020 Rho 0.4900410E-02 |GRAD(Rho)| 0.8739500E-17 GRAD(Rho)x -0.7456960E-17 GRAD(Rho)y 0.4540573E-17 GRAD(Rho)z 0.3947174E-18 Laplacian 0.2017383E-01 (-1/4)Del**2(Rho)) -0.5043457E-02 Diamond 0.4834975E-03 Metallicity 0.4829241E+00 Ellipticity -0.4258270E+01 Gb(Abramov) 0.3768239E-02 Vb(Abramov) -0.2493021E-02 Hb(Abramov) 0.1275218E-02 Ex_ueg -0.6147449E-03 Ec_ueg -0.1426295E-03 Delta_ex -0.1023555E-02 Delta_ec 0.6788449E-03 Delta_et -0.3646825E-02 Pxc 0.4310081E+01 Qxc -0.1507790E+01 3,+1 74 3 +1 -0.529955 0.555812 -1.691780 Rho 0.8352230E-02 |GRAD(Rho)| 0.8862814E-17 GRAD(Rho)x -0.3577867E-17 GRAD(Rho)y 0.2547875E-17 GRAD(Rho)z -0.7697835E-17 Laplacian 0.3451153E-01 (-1/4)Del**2(Rho)) -0.8627882E-02 Diamond 0.9555264E-03 Metallicity 0.6865198E+00 Ellipticity -0.1451391E+01 Gb(Abramov) 0.6739123E-02 Vb(Abramov) -0.4850364E-02 Hb(Abramov) 0.1888759E-02 Ex_ueg -0.1251570E-02 Ec_ueg -0.2939079E-03 Delta_ex -0.1596879E-02 Delta_ec 0.5425283E-03 Delta_et -0.3633731E-02 Pxc 0.4258374E+01 Qxc -0.2943401E+01 3,+1 75 3 -1 -0.357905 0.363692 0.363544 Rho 0.2025763E+00 |GRAD(Rho)| 0.1179753E-10 GRAD(Rho)x 0.6933883E-11 GRAD(Rho)y -0.6802314E-11 GRAD(Rho)z -0.6695632E-11 Laplacian 0.7269677E+00 (-1/4)Del**2(Rho)) -0.1817419E+00 Diamond 0.2352889E+01 Metallicity 0.6623369E+01 Ellipticity 0.7783656E-04 Gb(Abramov) 0.3217852E+00 Vb(Abramov) -0.4618286E+00 Hb(Abramov) -0.1400433E+00 Ex_ueg -0.8786915E-01 Ec_ueg -0.1189060E-01 Delta_ex -0.8577376E-01 Delta_ec 0.1990679E-01 Delta_et -0.2839619E+00 Pxc 0.7389797E+01 Qxc -0.4308768E+01 3,-1 76 3 +3 -0.001903 0.001662 2.356092 Rho 0.4424725E-02 |GRAD(Rho)| 0.7995192E-14 GRAD(Rho)x 0.3501416E-14 GRAD(Rho)y -0.4078668E-14 GRAD(Rho)z -0.5918416E-14 Laplacian 0.1834252E-01 (-1/4)Del**2(Rho)) -0.4585630E-02 Diamond 0.1629015E-03 Metallicity 0.4480206E+00 Ellipticity -0.2772523E+00 Gb(Abramov) 0.3399496E-02 Vb(Abramov) -0.2213362E-02 Hb(Abramov) 0.1186134E-02 Ex_ueg -0.5364964E-03 Ec_ueg -0.1222410E-03 Delta_ex -0.6722664E-03 Delta_ec 0.1872165E-03 Delta_et -0.1139717E-02 Pxc 0.4388842E+01 Qxc -0.3590851E+01 3,+3 77 3 +1 0.543340 -0.543164 -1.682122 Rho 0.8762822E-02 |GRAD(Rho)| 0.7364798E-17 GRAD(Rho)x 0.5095750E-17 GRAD(Rho)y -0.2114194E-17 GRAD(Rho)z -0.4878910E-17 Laplacian 0.3650247E-01 (-1/4)Del**2(Rho)) -0.9125617E-02 Diamond 0.1056343E-02 Metallicity 0.7031224E+00 Ellipticity -0.1438457E+01 Gb(Abramov) 0.7153149E-02 Vb(Abramov) -0.5180681E-02 Hb(Abramov) 0.1972468E-02 Ex_ueg -0.1334270E-02 Ec_ueg -0.3122711E-03 Delta_ex -0.1699334E-02 Delta_ec 0.5561703E-03 Delta_et -0.3785422E-02 Pxc 0.4272794E+01 Qxc -0.3055420E+01 3,+1 78 3 +1 1.193956 -2.117320 1.169906 Rho 0.2564012E-01 |GRAD(Rho)| 0.8189373E-14 GRAD(Rho)x 0.4100621E-14 GRAD(Rho)y -0.7068588E-14 GRAD(Rho)z 0.5346069E-15 Laplacian 0.1036733E+00 (-1/4)Del**2(Rho)) -0.2591833E-01 Diamond 0.1538660E-01 Metallicity 0.1481879E+01 Ellipticity -0.6809641E+01 Gb(Abramov) 0.2368020E-01 Vb(Abramov) -0.2144206E-01 Hb(Abramov) 0.2238139E-02 Ex_ueg -0.5583996E-02 Ec_ueg -0.1120997E-02 Delta_ex -0.6633086E-02 Delta_ec 0.2011789E-02 Delta_et -0.1781438E-01 Pxc 0.4981277E+01 Qxc -0.3297108E+01 3,+1 79 3 +1 0.543121 0.538628 1.688204 Rho 0.8675830E-02 |GRAD(Rho)| 0.1314405E-15 GRAD(Rho)x -0.1013187E-15 GRAD(Rho)y -0.6451003E-17 GRAD(Rho)z -0.8348357E-16 Laplacian 0.3612247E-01 (-1/4)Del**2(Rho)) -0.9030617E-02 Diamond 0.1033123E-02 Metallicity 0.6988020E+00 Ellipticity -0.1436769E+01 Gb(Abramov) 0.7072180E-02 Vb(Abramov) -0.5113743E-02 Hb(Abramov) 0.1958437E-02 Ex_ueg -0.1316638E-02 Ec_ueg -0.3083742E-03 Delta_ex -0.1678294E-02 Delta_ec 0.5518767E-03 Delta_et -0.3745270E-02 Pxc 0.4269611E+01 Qxc -0.3041067E+01 3,+1 80 3 -1 -0.064468 3.196969 -3.205823 Rho 0.2434330E+00 |GRAD(Rho)| 0.2725673E-15 GRAD(Rho)x -0.1632131E-15 GRAD(Rho)y 0.3426079E-16 GRAD(Rho)z -0.2155936E-15 Laplacian 0.8551514E+00 (-1/4)Del**2(Rho)) -0.2137878E+00 Diamond 0.3103916E+01 Metallicity 0.7647790E+01 Ellipticity 0.2956879E-03 Gb(Abramov) 0.4150260E+00 Vb(Abramov) -0.6162641E+00 Hb(Abramov) -0.2012381E+00 Ex_ueg -0.1122598E+00 Ec_ueg -0.1467675E-01 Delta_ex -0.1038468E+00 Delta_ec 0.1906631E-01 Delta_et -0.2653685E+00 Pxc 0.7648820E+01 Qxc -0.5446609E+01 3,-1 81 3 +1 0.543367 -1.686828 -0.538561 Rho 0.8692157E-02 |GRAD(Rho)| 0.2901171E-15 GRAD(Rho)x -0.2058680E-15 GRAD(Rho)y 0.2006587E-15 GRAD(Rho)z 0.3901773E-16 Laplacian 0.3621044E-01 (-1/4)Del**2(Rho)) -0.9052609E-02 Diamond 0.1039299E-02 Metallicity 0.6992923E+00 Ellipticity -0.1437988E+01 Gb(Abramov) 0.7090142E-02 Vb(Abramov) -0.5127676E-02 Hb(Abramov) 0.1962466E-02 Ex_ueg -0.1319943E-02 Ec_ueg -0.3091054E-03 Delta_ex -0.1683618E-02 Delta_ec 0.5540186E-03 Delta_et -0.3761065E-02 Pxc 0.4270204E+01 Qxc -0.3038920E+01 3,+1 82 3 +1 0.547432 1.682952 0.542663 Rho 0.8717133E-02 |GRAD(Rho)| 0.3211945E-16 GRAD(Rho)x -0.2882114E-16 GRAD(Rho)y -0.1348476E-16 GRAD(Rho)z 0.4377466E-17 Laplacian 0.3628585E-01 (-1/4)Del**2(Rho)) -0.9071462E-02 Diamond 0.1043443E-02 Metallicity 0.7011841E+00 Ellipticity -0.1438023E+01 Gb(Abramov) 0.7107769E-02 Vb(Abramov) -0.5144075E-02 Hb(Abramov) 0.1963693E-02 Ex_ueg -0.1325002E-02 Ec_ueg -0.3102240E-03 Delta_ex -0.1687405E-02 Delta_ec 0.5535150E-03 Delta_et -0.3761710E-02 Pxc 0.4271114E+01 Qxc -0.3048526E+01 3,+1 83 3 -1 0.494559 1.692412 -1.697770 Rho 0.3453897E-01 |GRAD(Rho)| 0.5355766E-13 GRAD(Rho)x -0.1744804E-13 GRAD(Rho)y 0.3578756E-13 GRAD(Rho)z -0.3582234E-13 Laplacian 0.1431270E+00 (-1/4)Del**2(Rho)) -0.3578175E-01 Diamond 0.4483251E-01 Metallicity 0.1763629E+01 Ellipticity 0.7698883E-02 Gb(Abramov) 0.3437212E-01 Vb(Abramov) -0.3296250E-01 Hb(Abramov) 0.1409628E-02 Ex_ueg -0.8307384E-02 Ec_ueg -0.1580022E-02 Delta_ex -0.1081440E-01 Delta_ec 0.4395611E-02 Delta_et -0.4197770E-01 Pxc 0.5257764E+01 Qxc -0.2460272E+01 3,-1 84 3 +1 0.096600 2.911508 -0.100634 Rho 0.4908240E-02 |GRAD(Rho)| 0.5025634E-17 GRAD(Rho)x 0.8698928E-18 GRAD(Rho)y -0.2516044E-18 GRAD(Rho)z 0.4943377E-17 Laplacian 0.2020965E-01 (-1/4)Del**2(Rho)) -0.5052412E-02 Diamond 0.4829138E-03 Metallicity 0.4833525E+00 Ellipticity -0.4031758E+01 Gb(Abramov) 0.3775291E-02 Vb(Abramov) -0.2498170E-02 Hb(Abramov) 0.1277121E-02 Ex_ueg -0.6160549E-03 Ec_ueg -0.1429661E-03 Delta_ex -0.1023318E-02 Delta_ec 0.6758321E-03 Delta_et -0.3633992E-02 Pxc 0.4309097E+01 Qxc -0.1514160E+01 3,+1 85 3 +3 0.012587 2.357211 -0.019729 Rho 0.4341638E-02 |GRAD(Rho)| 0.1356300E-14 GRAD(Rho)x -0.6094936E-15 GRAD(Rho)y -0.1038646E-14 GRAD(Rho)z 0.6239255E-15 Laplacian 0.1794498E-01 (-1/4)Del**2(Rho)) -0.4486246E-02 Diamond 0.1564804E-03 Metallicity 0.4437034E+00 Ellipticity -0.3051973E+00 Gb(Abramov) 0.3322591E-02 Vb(Abramov) -0.2158936E-02 Hb(Abramov) 0.1163655E-02 Ex_ueg -0.5231061E-03 Ec_ueg -0.1186917E-03 Delta_ex -0.6558694E-03 Delta_ec 0.1854639E-03 Delta_et -0.1120841E-02 Pxc 0.4407267E+01 Qxc -0.3536372E+01 3,+3 86 3 +1 1.755727 -1.755620 -1.755858 Rho 0.1241993E-01 |GRAD(Rho)| 0.2452112E-16 GRAD(Rho)x 0.1689096E-16 GRAD(Rho)y 0.1693969E-16 GRAD(Rho)z 0.5387773E-17 Laplacian 0.6277974E-01 (-1/4)Del**2(Rho)) -0.1569493E-01 Diamond 0.2622419E-02 Metallicity 0.7311261E+00 Ellipticity -0.1241965E+01 Gb(Abramov) 0.1237579E-01 Vb(Abramov) -0.9056637E-02 Hb(Abramov) 0.3319149E-02 Ex_ueg -0.2124274E-02 Ec_ueg -0.4789890E-03 Delta_ex -0.3110003E-02 Delta_ec 0.8076293E-03 Delta_et -0.6112418E-02 Pxc 0.4434913E+01 Qxc -0.3850780E+01 3,+1 87 3 +1 1.992322 -1.995183 1.993244 Rho 0.1266969E-01 |GRAD(Rho)| 0.2071096E-16 GRAD(Rho)x -0.1284981E-16 GRAD(Rho)y -0.1009873E-16 GRAD(Rho)z -0.1272172E-16 Laplacian 0.6008519E-01 (-1/4)Del**2(Rho)) -0.1502130E-01 Diamond 0.2131930E-02 Metallicity 0.7896885E+00 Ellipticity -0.1150268E+01 Gb(Abramov) 0.1199122E-01 Vb(Abramov) -0.8961148E-02 Hb(Abramov) 0.3030075E-02 Ex_ueg -0.2181423E-02 Ec_ueg -0.4905719E-03 Delta_ex -0.2871992E-02 Delta_ec 0.5582231E-03 Delta_et -0.4406832E-02 Pxc 0.4446693E+01 Qxc -0.5144882E+01 3,+1 88 3 +3 1.108934 -1.113386 -1.104261 Rho 0.5017611E-02 |GRAD(Rho)| 0.7308346E-15 GRAD(Rho)x -0.2227425E-15 GRAD(Rho)y 0.5838145E-15 GRAD(Rho)z -0.3790325E-15 Laplacian 0.2064311E-01 (-1/4)Del**2(Rho)) -0.5160777E-02 Diamond 0.1537314E-03 Metallicity 0.4909077E+00 Ellipticity -0.2501270E-01 Gb(Abramov) 0.3862762E-02 Vb(Abramov) -0.2564747E-02 Hb(Abramov) 0.1298015E-02 Ex_ueg -0.6344262E-03 Ec_ueg -0.1476708E-03 Delta_ex -0.7221066E-03 Delta_ec 0.1055840E-03 Delta_et -0.7940522E-03 Pxc 0.4296220E+01 Qxc -0.6839169E+01 3,+3 89 3 +3 1.839761 -1.841599 1.840250 Rho 0.1242264E-01 |GRAD(Rho)| 0.1785696E-14 GRAD(Rho)x -0.1474996E-14 GRAD(Rho)y -0.7930263E-15 GRAD(Rho)z -0.6198438E-15 Laplacian 0.5717026E-01 (-1/4)Del**2(Rho)) -0.1429257E-01 Diamond 0.1303290E-02 Metallicity 0.8031546E+00 Ellipticity -0.7135989E+00 Gb(Abramov) 0.1144157E-01 Vb(Abramov) -0.8590569E-02 Hb(Abramov) 0.2850999E-02 Ex_ueg -0.2124891E-02 Ec_ueg -0.4791143E-03 Delta_ex -0.2532739E-02 Delta_ec 0.2006579E-03 Delta_et -0.1925604E-02 Pxc 0.4435040E+01 Qxc -0.1262217E+02 3,+3 90 3 +1 1.202255 -1.162940 2.116018 Rho 0.2567702E-01 |GRAD(Rho)| 0.6544673E-15 GRAD(Rho)x 0.3127161E-15 GRAD(Rho)y -0.4114139E-16 GRAD(Rho)z 0.5734487E-15 Laplacian 0.1038672E+00 (-1/4)Del**2(Rho)) -0.2596680E-01 Diamond 0.1544895E-01 Metallicity 0.1482663E+01 Ellipticity -0.6837249E+01 Gb(Abramov) 0.2372787E-01 Vb(Abramov) -0.2148893E-01 Hb(Abramov) 0.2238933E-02 Ex_ueg -0.5594713E-02 Ec_ueg -0.1122861E-02 Delta_ex -0.6648318E-02 Delta_ec 0.2016133E-02 Delta_et -0.1785927E-01 Pxc 0.4982552E+01 Qxc -0.3297560E+01 3,+1 91 3 +1 1.689258 -0.554281 -0.528109 Rho 0.8774268E-02 |GRAD(Rho)| 0.1306148E-14 GRAD(Rho)x -0.7622348E-15 GRAD(Rho)y 0.1035608E-14 GRAD(Rho)z -0.2292071E-15 Laplacian 0.3656676E-01 (-1/4)Del**2(Rho)) -0.9141691E-02 Diamond 0.1060513E-02 Metallicity 0.7034148E+00 Ellipticity -0.1438785E+01 Gb(Abramov) 0.7166194E-02 Vb(Abramov) -0.5190697E-02 Hb(Abramov) 0.1975497E-02 Ex_ueg -0.1336594E-02 Ec_ueg -0.3127841E-03 Delta_ex -0.1703070E-02 Delta_ec 0.5574844E-03 Delta_et -0.3795414E-02 Pxc 0.4273217E+01 Qxc -0.3054921E+01 3,+1 92 3 +1 2.111480 -1.180713 1.189350 Rho 0.2541221E-01 |GRAD(Rho)| 0.1591265E-12 GRAD(Rho)x -0.4855560E-13 GRAD(Rho)y -0.9144740E-13 GRAD(Rho)z -0.1208344E-12 Laplacian 0.1024434E+00 (-1/4)Del**2(Rho)) -0.2561085E-01 Diamond 0.1502217E-01 Metallicity 0.1477520E+01 Ellipticity -0.6786012E+01 Gb(Abramov) 0.2338066E-01 Vb(Abramov) -0.2115046E-01 Hb(Abramov) 0.2230193E-02 Ex_ueg -0.5517916E-02 Ec_ueg -0.1109491E-02 Delta_ex -0.6539451E-02 Delta_ec 0.1988559E-02 Delta_et -0.1756854E-01 Pxc 0.4973376E+01 Qxc -0.3288538E+01 3,+1 93 3 +3 2.359405 -0.016445 0.013656 Rho 0.4468277E-02 |GRAD(Rho)| 0.3525442E-16 GRAD(Rho)x -0.2579942E-16 GRAD(Rho)y -0.1962071E-16 GRAD(Rho)z 0.1386694E-16 Laplacian 0.1850984E-01 (-1/4)Del**2(Rho)) -0.4627460E-02 Diamond 0.1672863E-03 Metallicity 0.4512779E+00 Ellipticity -0.2827343E+00 Gb(Abramov) 0.3433018E-02 Vb(Abramov) -0.2238577E-02 Hb(Abramov) 0.1194442E-02 Ex_ueg -0.5435488E-03 Ec_ueg -0.1241029E-03 Delta_ex -0.6808257E-03 Delta_ec 0.1902757E-03 Delta_et -0.1159450E-02 Pxc 0.4379825E+01 Qxc -0.3578101E+01 3,+3 94 3 -1 1.978078 -0.840356 2.973046 Rho 0.1423315E+00 |GRAD(Rho)| 0.3091951E-15 GRAD(Rho)x -0.4681043E-16 GRAD(Rho)y -0.2588804E-15 GRAD(Rho)z 0.1624541E-15 Laplacian 0.5670328E+00 (-1/4)Del**2(Rho)) -0.1417582E+00 Diamond 0.1083190E+01 Metallicity 0.4715274E+01 Ellipticity 0.2864817E-01 Gb(Abramov) 0.2059103E+00 Vb(Abramov) -0.2700623E+00 Hb(Abramov) -0.6415206E-01 Ex_ueg -0.5488495E-01 Ec_ueg -0.7954444E-02 Delta_ex -0.6016208E-01 Delta_ec 0.1465613E-01 Delta_et -0.1938126E+00 Pxc 0.6899910E+01 Qxc -0.4104908E+01 3,-1 95 3 -1 1.806657 -0.575811 -2.779308 Rho 0.1439213E+00 |GRAD(Rho)| 0.4560796E-09 GRAD(Rho)x -0.3283938E-09 GRAD(Rho)y -0.2985888E-09 GRAD(Rho)z -0.1049327E-09 Laplacian 0.6081711E+00 (-1/4)Del**2(Rho)) -0.1520428E+00 Diamond 0.1175709E+01 Metallicity 0.4478463E+01 Ellipticity 0.8800473E-02 Gb(Abramov) 0.2148482E+00 Vb(Abramov) -0.2776536E+00 Hb(Abramov) -0.6280540E-01 Ex_ueg -0.5570383E-01 Ec_ueg -0.8055530E-02 Delta_ex -0.6468437E-01 Delta_ec 0.1564541E-01 Delta_et -0.2071682E+00 Pxc 0.6914980E+01 Qxc -0.4134399E+01 3,-1 96 3 +1 2.120129 1.178752 -1.178309 Rho 0.2581402E-01 |GRAD(Rho)| 0.2229201E-14 GRAD(Rho)x 0.9699688E-15 GRAD(Rho)y -0.2006543E-14 GRAD(Rho)z 0.4776409E-16 Laplacian 0.1046413E+00 (-1/4)Del**2(Rho)) -0.2616031E-01 Diamond 0.1565264E-01 Metallicity 0.1484806E+01 Ellipticity -0.6677536E+01 Gb(Abramov) 0.2391404E-01 Vb(Abramov) -0.2166777E-01 Hb(Abramov) 0.2246274E-02 Ex_ueg -0.5634550E-02 Ec_ueg -0.1129786E-02 Delta_ex -0.6704541E-02 Delta_ec 0.2026403E-02 Delta_et -0.1797544E-01 Pxc 0.4987274E+01 Qxc -0.3308593E+01 3,+1 97 3 -1 1.686986 -0.491445 1.690453 Rho 0.3965119E-01 |GRAD(Rho)| 0.1509799E-14 GRAD(Rho)x -0.1368051E-14 GRAD(Rho)y 0.6074991E-15 GRAD(Rho)z -0.1971645E-15 Laplacian 0.1571250E+00 (-1/4)Del**2(Rho)) -0.3928125E-01 Diamond 0.5718509E-01 Metallicity 0.2022064E+01 Ellipticity 0.1094145E-01 Gb(Abramov) 0.3942570E-01 Vb(Abramov) -0.3957015E-01 Hb(Abramov) -0.1444505E-03 Ex_ueg -0.9986040E-02 Ec_ueg -0.1851371E-02 Delta_ex -0.1215140E-01 Delta_ec 0.4592169E-02 Delta_et -0.4551995E-01 Pxc 0.5393863E+01 Qxc -0.2646113E+01 3,-1 98 3 +1 1.687502 0.527814 0.551722 Rho 0.8816372E-02 |GRAD(Rho)| 0.8001643E-14 GRAD(Rho)x 0.3183102E-14 GRAD(Rho)y -0.5287603E-14 GRAD(Rho)z -0.5092681E-14 Laplacian 0.3677597E-01 (-1/4)Del**2(Rho)) -0.9193992E-02 Diamond 0.1073942E-02 Metallicity 0.7050158E+00 Ellipticity -0.1440097E+01 Gb(Abramov) 0.7209646E-02 Vb(Abramov) -0.5225300E-02 Hb(Abramov) 0.1984346E-02 Ex_ueg -0.1345153E-02 Ec_ueg -0.3146715E-03 Delta_ex -0.1715034E-02 Delta_ec 0.5609746E-03 Delta_et -0.3823745E-02 Pxc 0.4274783E+01 Qxc -0.3057240E+01 3,+1 99 3 -1 0.487460 -1.689659 1.691145 Rho 0.4064702E-01 |GRAD(Rho)| 0.2517263E-13 GRAD(Rho)x -0.1844329E-13 GRAD(Rho)y 0.4165366E-14 GRAD(Rho)z 0.1661795E-13 Laplacian 0.1620253E+00 (-1/4)Del**2(Rho)) -0.4050633E-01 Diamond 0.6118801E-01 Metallicity 0.2043673E+01 Ellipticity 0.1073306E-01 Gb(Abramov) 0.4080117E-01 Vb(Abramov) -0.4109601E-01 Hb(Abramov) -0.2948393E-03 Ex_ueg -0.1032183E-01 Ec_ueg -0.1904804E-02 Delta_ex -0.1261909E-01 Delta_ec 0.4754499E-02 Delta_et -0.4744606E-01 Pxc 0.5418840E+01 Qxc -0.2654137E+01 3,-1 100 3 -1 3.191750 3.198587 0.056751 Rho 0.2539171E+00 |GRAD(Rho)| 0.9560462E-15 GRAD(Rho)x -0.2721347E-15 GRAD(Rho)y -0.9164761E-15 GRAD(Rho)z 0.6207057E-17 Laplacian 0.9147673E+00 (-1/4)Del**2(Rho)) -0.2286918E+00 Diamond 0.3456712E+01 Metallicity 0.7669888E+01 Ellipticity 0.1078917E-02 Gb(Abramov) 0.4448013E+00 Vb(Abramov) -0.6609108E+00 Hb(Abramov) -0.2161095E+00 Ex_ueg -0.1187520E+00 Ec_ueg -0.1540646E-01 Delta_ex -0.1121386E+00 Delta_ec 0.1981781E-01 Delta_et -0.2746781E+00 Pxc 0.7707935E+01 Qxc -0.5658478E+01 3,-1 101 3 -1 2.777527 1.808265 0.573733 Rho 0.1408073E+00 |GRAD(Rho)| 0.1088868E-12 GRAD(Rho)x -0.1419166E-13 GRAD(Rho)y 0.7061425E-13 GRAD(Rho)z -0.8166123E-13 Laplacian 0.5945078E+00 (-1/4)Del**2(Rho)) -0.1486269E+00 Diamond 0.1119918E+01 Metallicity 0.4417376E+01 Ellipticity 0.8556074E-02 Gb(Abramov) 0.2085081E+00 Vb(Abramov) -0.2683893E+00 Hb(Abramov) -0.5988120E-01 Ex_ueg -0.5410267E-01 Ec_ueg -0.7857672E-02 Delta_ex -0.6289933E-01 Delta_ec 0.1538415E-01 Delta_et -0.2030643E+00 Pxc 0.6885331E+01 Qxc -0.4088580E+01 3,-1 102 3 +3 -2.352858 0.001623 0.000727 Rho 0.4390634E-02 |GRAD(Rho)| 0.8658169E-15 GRAD(Rho)x 0.7373274E-15 GRAD(Rho)y 0.4130811E-15 GRAD(Rho)z 0.1880192E-15 Laplacian 0.1818929E-01 (-1/4)Del**2(Rho)) -0.4547323E-02 Diamond 0.1603297E-03 Metallicity 0.4460082E+00 Ellipticity -0.2747582E+00 Gb(Abramov) 0.3369573E-02 Vb(Abramov) -0.2191822E-02 Hb(Abramov) 0.1177751E-02 Ex_ueg -0.5309922E-03 Ec_ueg -0.1207843E-03 Delta_ex -0.6658815E-03 Delta_ec 0.1865862E-03 Delta_et -0.1132527E-02 Pxc 0.4396201E+01 Qxc -0.3568761E+01 3,+3 103 3 -1 -3.201861 0.055893 -3.198505 Rho 0.2542386E+00 |GRAD(Rho)| 0.3912811E-14 GRAD(Rho)x 0.2179246E-16 GRAD(Rho)y 0.2557552E-14 GRAD(Rho)z -0.2961173E-14 Laplacian 0.9130717E+00 (-1/4)Del**2(Rho)) -0.2282679E+00 Diamond 0.3457728E+01 Metallicity 0.7700354E+01 Ellipticity 0.1042452E-02 Gb(Abramov) 0.4451359E+00 Vb(Abramov) -0.6620039E+00 Hb(Abramov) -0.2168680E+00 Ex_ueg -0.1189525E+00 Ec_ueg -0.1542893E-01 Delta_ex -0.1119787E+00 Delta_ec 0.1979245E-01 Delta_et -0.2744231E+00 Pxc 0.7709705E+01 Qxc -0.5657647E+01 3,-1 104 3 -1 -3.200476 -0.058204 3.196905 Rho 0.2543941E+00 |GRAD(Rho)| 0.1394767E-14 GRAD(Rho)x -0.1188394E-14 GRAD(Rho)y -0.2278451E-15 GRAD(Rho)z 0.6936725E-15 Laplacian 0.9133768E+00 (-1/4)Del**2(Rho)) -0.2283442E+00 Diamond 0.3460996E+01 Metallicity 0.7705633E+01 Ellipticity 0.8951655E-03 Gb(Abramov) 0.4454856E+00 Vb(Abramov) -0.6626270E+00 Hb(Abramov) -0.2171414E+00 Ex_ueg -0.1190496E+00 Ec_ueg -0.1543981E-01 Delta_ex -0.1120320E+00 Delta_ec 0.1979153E-01 Delta_et -0.2743948E+00 Pxc 0.7710560E+01 Qxc -0.5660604E+01 3,-1 105 3 -1 -2.783118 -0.576604 1.809012 Rho 0.1423325E+00 |GRAD(Rho)| 0.1455755E-15 GRAD(Rho)x -0.7655145E-16 GRAD(Rho)y -0.5190618E-16 GRAD(Rho)z 0.1124182E-15 Laplacian 0.6009765E+00 (-1/4)Del**2(Rho)) -0.1502441E+00 Diamond 0.1146727E+01 Metallicity 0.4449000E+01 Ellipticity 0.9101241E-02 Gb(Abramov) 0.2115688E+00 Vb(Abramov) -0.2728934E+00 Hb(Abramov) -0.6132465E-01 Ex_ueg -0.5488544E-01 Ec_ueg -0.7954504E-02 Delta_ex -0.6374957E-01 Delta_ec 0.1550839E-01 Delta_et -0.2050298E+00 Pxc 0.6899919E+01 Qxc -0.4110650E+01 3,-1 106 3 -1 -2.780695 0.576680 -1.811294 Rho 0.1424508E+00 |GRAD(Rho)| 0.2595874E-13 GRAD(Rho)x 0.5938128E-14 GRAD(Rho)y 0.2526411E-13 GRAD(Rho)z -0.5656960E-15 Laplacian 0.6019559E+00 (-1/4)Del**2(Rho)) -0.1504890E+00 Diamond 0.1149636E+01 Metallicity 0.4447918E+01 Ellipticity 0.9154585E-02 Gb(Abramov) 0.2118864E+00 Vb(Abramov) -0.2732839E+00 Hb(Abramov) -0.6139746E-01 Ex_ueg -0.5494629E-01 Ec_ueg -0.7962024E-02 Delta_ex -0.6386527E-01 Delta_ec 0.1552847E-01 Delta_et -0.2053164E+00 Pxc 0.6901046E+01 Qxc -0.4112785E+01 3,-1 107 3 -1 -2.972893 0.840793 1.974410 Rho 0.1446457E+00 |GRAD(Rho)| 0.5063861E-15 GRAD(Rho)x -0.9717162E-16 GRAD(Rho)y 0.4537386E-15 GRAD(Rho)z -0.2027458E-15 Laplacian 0.5769341E+00 (-1/4)Del**2(Rho)) -0.1442335E+00 Diamond 0.1123263E+01 Metallicity 0.4760612E+01 Ellipticity 0.3072673E-01 Gb(Abramov) 0.2105956E+00 Vb(Abramov) -0.2769578E+00 Hb(Abramov) -0.6636212E-01 Ex_ueg -0.5607798E-01 Ec_ueg -0.8101646E-02 Delta_ex -0.6144985E-01 Delta_ec 0.1484585E-01 Delta_et -0.1967741E+00 Pxc 0.6921800E+01 Qxc -0.4139194E+01 3,-1 108 3 +1 -1.681918 0.541320 -0.541065 Rho 0.8639279E-02 |GRAD(Rho)| 0.2143121E-14 GRAD(Rho)x -0.9372115E-15 GRAD(Rho)y 0.1802139E-14 GRAD(Rho)z 0.6832981E-15 Laplacian 0.3606051E-01 (-1/4)Del**2(Rho)) -0.9015127E-02 Diamond 0.1029223E-02 Metallicity 0.6950945E+00 Ellipticity -0.1436446E+01 Gb(Abramov) 0.7054478E-02 Vb(Abramov) -0.5093830E-02 Hb(Abramov) 0.1960648E-02 Ex_ueg -0.1309247E-02 Ec_ueg -0.3067379E-03 Delta_ex -0.1675345E-02 Delta_ec 0.5539547E-03 Delta_et -0.3752950E-02 Pxc 0.4268293E+01 Qxc -0.3024335E+01 3,+1 109 3 -1 -1.685994 0.490739 1.686884 Rho 0.3930826E-01 |GRAD(Rho)| 0.3062853E-16 GRAD(Rho)x -0.2854692E-16 GRAD(Rho)y -0.9354314E-17 GRAD(Rho)z -0.5973065E-17 Laplacian 0.1556742E+00 (-1/4)Del**2(Rho)) -0.3891854E-01 Diamond 0.5597825E-01 Metallicity 0.2011576E+01 Ellipticity 0.1105770E-01 Gb(Abramov) 0.3899362E-01 Vb(Abramov) -0.3906871E-01 Hb(Abramov) -0.7508433E-04 Ex_ueg -0.9871054E-02 Ec_ueg -0.1833012E-02 Delta_ex -0.1201244E-01 Delta_ec 0.4548604E-02 Delta_et -0.4498285E-01 Pxc 0.5385153E+01 Qxc -0.2640906E+01 3,-1 110 3 -1 -1.976630 -2.972764 -0.839886 Rho 0.1424281E+00 |GRAD(Rho)| 0.2574976E-12 GRAD(Rho)x -0.1529173E-12 GRAD(Rho)y -0.1578823E-13 GRAD(Rho)z -0.2065722E-12 Laplacian 0.5679700E+00 (-1/4)Del**2(Rho)) -0.1419925E+00 Diamond 0.1085896E+01 Metallicity 0.4712814E+01 Ellipticity 0.2856994E-01 Gb(Abramov) 0.2061924E+00 Vb(Abramov) -0.2703923E+00 Hb(Abramov) -0.6419988E-01 Ex_ueg -0.5493458E-01 Ec_ueg -0.7960576E-02 Delta_ex -0.6027183E-01 Delta_ec 0.1467854E-01 Delta_et -0.1941299E+00 Pxc 0.6900829E+01 Qxc -0.4106118E+01 3,-1 111 3 +3 -1.108260 -1.106473 1.105608 Rho 0.4977239E-02 |GRAD(Rho)| 0.2968208E-15 GRAD(Rho)x -0.2317266E-15 GRAD(Rho)y -0.1640849E-15 GRAD(Rho)z -0.8649562E-16 Laplacian 0.2050439E-01 (-1/4)Del**2(Rho)) -0.5126097E-02 Diamond 0.1517678E-03 Metallicity 0.4876189E+00 Ellipticity -0.1442883E-01 Gb(Abramov) 0.3833995E-02 Vb(Abramov) -0.2541893E-02 Hb(Abramov) 0.1292102E-02 Ex_ueg -0.6276290E-03 Ec_ueg -0.1459334E-03 Delta_ex -0.7163637E-03 Delta_ec 0.1061211E-03 Delta_et -0.7937862E-03 Pxc 0.4300790E+01 Qxc -0.6750433E+01 3,+3 112 3 +1 -1.683659 -0.539767 0.542307 Rho 0.8624603E-02 |GRAD(Rho)| 0.1521527E-16 GRAD(Rho)x 0.1086913E-16 GRAD(Rho)y 0.1049135E-16 GRAD(Rho)z -0.1816039E-17 Laplacian 0.3588323E-01 (-1/4)Del**2(Rho)) -0.8970807E-02 Diamond 0.1019415E-02 Metallicity 0.6965519E+00 Ellipticity -0.1436764E+01 Gb(Abramov) 0.7021977E-02 Vb(Abramov) -0.5073147E-02 Hb(Abramov) 0.1948830E-02 Ex_ueg -0.1306283E-02 Ec_ueg -0.3060811E-03 Delta_ex -0.1665333E-02 Delta_ec 0.5493238E-03 Delta_et -0.3721332E-02 Pxc 0.4267767E+01 Qxc -0.3031606E+01 3,+1 113 3 -1 -1.815415 0.577917 -2.786829 Rho 0.1429509E+00 |GRAD(Rho)| 0.3778503E-12 GRAD(Rho)x -0.2705469E-12 GRAD(Rho)y -0.2490849E-12 GRAD(Rho)z 0.8678677E-13 Laplacian 0.6004476E+00 (-1/4)Del**2(Rho)) -0.1501119E+00 Diamond 0.1151429E+01 Metallicity 0.4485213E+01 Ellipticity 0.1090180E-01 Gb(Abramov) 0.2122886E+00 Vb(Abramov) -0.2744652E+00 Hb(Abramov) -0.6217666E-01 Ex_ueg -0.5520364E-01 Ec_ueg -0.7993810E-02 Delta_ex -0.6375799E-01 Delta_ec 0.1547319E-01 Delta_et -0.2046853E+00 Pxc 0.6905798E+01 Qxc -0.4120545E+01 3,-1 114 3 +1 -1.182437 1.176423 2.112208 Rho 0.2534657E-01 |GRAD(Rho)| 0.1086585E-15 GRAD(Rho)x -0.3439134E-16 GRAD(Rho)y 0.3253227E-16 GRAD(Rho)z 0.9780364E-16 Laplacian 0.1022387E+00 (-1/4)Del**2(Rho)) -0.2555969E-01 Diamond 0.1495106E-01 Metallicity 0.1474110E+01 Ellipticity -0.6762619E+01 Gb(Abramov) 0.2331942E-01 Vb(Abramov) -0.2107916E-01 Hb(Abramov) 0.2240266E-02 Ex_ueg -0.5498920E-02 Ec_ueg -0.1106179E-02 Delta_ex -0.6523257E-02 Delta_ec 0.1986879E-02 Delta_et -0.1754168E-01 Pxc 0.4971092E+01 Qxc -0.3283168E+01 3,+1 115 3 +1 -2.108424 1.186616 1.173715 Rho 0.2534287E-01 |GRAD(Rho)| 0.4049605E-16 GRAD(Rho)x -0.3794278E-16 GRAD(Rho)y 0.2569194E-17 GRAD(Rho)z 0.1391671E-16 Laplacian 0.1023583E+00 (-1/4)Del**2(Rho)) -0.2558958E-01 Diamond 0.1501047E-01 Metallicity 0.1472029E+01 Ellipticity -0.6949019E+01 Gb(Abramov) 0.2333782E-01 Vb(Abramov) -0.2108606E-01 Hb(Abramov) 0.2251761E-02 Ex_ueg -0.5497847E-02 Ec_ueg -0.1105992E-02 Delta_ex -0.6535428E-02 Delta_ec 0.1997758E-02 Delta_et -0.1763541E-01 Pxc 0.4970963E+01 Qxc -0.3271381E+01 3,+1 116 3 +1 -1.756444 -1.758084 1.754994 Rho 0.1243896E-01 |GRAD(Rho)| 0.1606867E-13 GRAD(Rho)x -0.5986478E-14 GRAD(Rho)y -0.5948820E-14 GRAD(Rho)z -0.1367391E-13 Laplacian 0.6292930E-01 (-1/4)Del**2(Rho)) -0.1573233E-01 Diamond 0.2634765E-02 Metallicity 0.7312523E+00 Ellipticity -0.1242280E+01 Gb(Abramov) 0.1240560E-01 Vb(Abramov) -0.9078875E-02 Hb(Abramov) 0.3326725E-02 Ex_ueg -0.2128616E-02 Ec_ueg -0.4798708E-03 Delta_ex -0.3118833E-02 Delta_ec 0.8098327E-03 Delta_et -0.6131163E-02 Pxc 0.4435810E+01 Qxc -0.3851206E+01 3,+1 117 3 -1 -1.976883 0.839885 2.973885 Rho 0.1441371E+00 |GRAD(Rho)| 0.6087369E-15 GRAD(Rho)x -0.4040415E-15 GRAD(Rho)y -0.4127016E-15 GRAD(Rho)z -0.1923239E-15 Laplacian 0.5749794E+00 (-1/4)Del**2(Rho)) -0.1437449E+00 Diamond 0.1115169E+01 Metallicity 0.4748834E+01 Ellipticity 0.2990521E-01 Gb(Abramov) 0.2096000E+00 Vb(Abramov) -0.2754551E+00 Hb(Abramov) -0.6585513E-01 Ex_ueg -0.5581522E-01 Ec_ueg -0.8069265E-02 Delta_ex -0.6119359E-01 Delta_ec 0.1481656E-01 Delta_et -0.1963021E+00 Pxc 0.6917014E+01 Qxc -0.4130081E+01 3,-1 118 3 -1 -0.839840 2.972194 1.979948 Rho 0.1435607E+00 |GRAD(Rho)| 0.8947738E-13 GRAD(Rho)x -0.2136361E-13 GRAD(Rho)y -0.6147426E-13 GRAD(Rho)z 0.6140613E-13 Laplacian 0.5725050E+00 (-1/4)Del**2(Rho)) -0.1431263E+00 Diamond 0.1104979E+01 Metallicity 0.4737614E+01 Ellipticity 0.2968833E-01 Gb(Abramov) 0.2084303E+00 Vb(Abramov) -0.2737344E+00 Hb(Abramov) -0.6530407E-01 Ex_ueg -0.5551781E-01 Ec_ueg -0.8032587E-02 Delta_ex -0.6087003E-01 Delta_ec 0.1476616E-01 Delta_et -0.1955163E+00 Pxc 0.6911574E+01 Qxc -0.4122267E+01 3,-1 119 3 -1 -0.486638 -1.687919 -1.686147 Rho 0.3978234E-01 |GRAD(Rho)| 0.4418061E-15 GRAD(Rho)x 0.1394697E-15 GRAD(Rho)y -0.2973378E-15 GRAD(Rho)z -0.2955184E-15 Laplacian 0.1578794E+00 (-1/4)Del**2(Rho)) -0.3946986E-01 Diamond 0.5779600E-01 Metallicity 0.2023507E+01 Ellipticity 0.1060573E-01 Gb(Abramov) 0.3962450E-01 Vb(Abramov) -0.3977914E-01 Hb(Abramov) -0.1546388E-03 Ex_ueg -0.1003011E-01 Ec_ueg -0.1858398E-02 Delta_ex -0.1222431E-01 Delta_ec 0.4622225E-02 Delta_et -0.4585945E-01 Pxc 0.5397179E+01 Qxc -0.2644681E+01 3,-1 120 3 +1 -0.543206 -0.537496 1.686056 Rho 0.8704773E-02 |GRAD(Rho)| 0.4292195E-17 GRAD(Rho)x 0.1463673E-17 GRAD(Rho)y 0.3469447E-17 GRAD(Rho)z -0.2059984E-17 Laplacian 0.3633874E-01 (-1/4)Del**2(Rho)) -0.9084685E-02 Diamond 0.1044196E-02 Metallicity 0.6985096E+00 Ellipticity -0.1435506E+01 Gb(Abramov) 0.7114080E-02 Vb(Abramov) -0.5143475E-02 Hb(Abramov) 0.1970605E-02 Ex_ueg -0.1322498E-02 Ec_ueg -0.3096704E-03 Delta_ex -0.1689820E-02 Delta_ec 0.5553108E-03 Delta_et -0.3771772E-02 Pxc 0.4270663E+01 Qxc -0.3043016E+01 3,+1 121 3 -1 -0.577331 -1.808932 2.781610 Rho 0.1435811E+00 |GRAD(Rho)| 0.1366444E-11 GRAD(Rho)x -0.8984144E-12 GRAD(Rho)y 0.9826437E-12 GRAD(Rho)z 0.3073001E-12 Laplacian 0.6063660E+00 (-1/4)Del**2(Rho)) -0.1515915E+00 Diamond 0.1168649E+01 Metallicity 0.4474114E+01 Ellipticity 0.8995392E-02 Gb(Abramov) 0.2141006E+00 Vb(Abramov) -0.2766097E+00 Hb(Abramov) -0.6250911E-01 Ex_ueg -0.5552834E-01 Ec_ueg -0.8033885E-02 Delta_ex -0.6445255E-01 Delta_ec 0.1560344E-01 Delta_et -0.2065306E+00 Pxc 0.6911767E+01 Qxc -0.4130663E+01 3,-1 122 3 +3 1.106621 1.106186 1.113934 Rho 0.5014071E-02 |GRAD(Rho)| 0.8171547E-16 GRAD(Rho)x 0.1973137E-16 GRAD(Rho)y -0.7555945E-16 GRAD(Rho)z -0.2405949E-16 Laplacian 0.2062665E-01 (-1/4)Del**2(Rho)) -0.5156662E-02 Diamond 0.1534815E-03 Metallicity 0.4907217E+00 Ellipticity -0.2054433E-01 Gb(Abramov) 0.3859522E-02 Vb(Abramov) -0.2562383E-02 Hb(Abramov) 0.1297140E-02 Ex_ueg -0.6338293E-03 Ec_ueg -0.1475184E-03 Delta_ex -0.7214103E-03 Delta_ec 0.1055343E-03 Delta_et -0.7934886E-03 Pxc 0.4296613E+01 Qxc -0.6835788E+01 3,+3 123 3 -1 0.577556 1.807644 2.785807 Rho 0.1427929E+00 |GRAD(Rho)| 0.2822325E-15 GRAD(Rho)x 0.2268829E-15 GRAD(Rho)y -0.1666961E-15 GRAD(Rho)z 0.1979347E-16 Laplacian 0.6025785E+00 (-1/4)Del**2(Rho)) -0.1506446E+00 Diamond 0.1153719E+01 Metallicity 0.4461121E+01 Ellipticity 0.8762650E-02 Gb(Abramov) 0.2124371E+00 Vb(Abramov) -0.2742295E+00 Hb(Abramov) -0.6179244E-01 Ex_ueg -0.5512230E-01 Ec_ueg -0.7983765E-02 Delta_ex -0.6396420E-01 Delta_ec 0.1552731E-01 Delta_et -0.2053568E+00 Pxc 0.6904298E+01 Qxc -0.4119464E+01 3,-1 124 3 -1 0.833927 1.986048 -2.976528 Rho 0.1335417E+00 |GRAD(Rho)| 0.2197487E-15 GRAD(Rho)x 0.5196039E-16 GRAD(Rho)y -0.2047990E-15 GRAD(Rho)z 0.6039006E-16 Laplacian 0.5297894E+00 (-1/4)Del**2(Rho)) -0.1324473E+00 Diamond 0.9265723E+00 Metallicity 0.4538070E+01 Ellipticity 0.4205597E-01 Gb(Abramov) 0.1884741E+00 Vb(Abramov) -0.2445009E+00 Hb(Abramov) -0.5602678E-01 Ex_ueg -0.5041279E-01 Ec_ueg -0.7398421E-02 Delta_ex -0.5522109E-01 Delta_ec 0.1368078E-01 Delta_et -0.1787077E+00 Pxc 0.6813993E+01 Qxc -0.4036398E+01 3,-1 125 3 +1 1.039249 1.328455 -2.102556 Rho 0.2414606E-01 |GRAD(Rho)| 0.2272300E-16 GRAD(Rho)x 0.1647743E-16 GRAD(Rho)y 0.3431854E-17 GRAD(Rho)z -0.1526602E-16 Laplacian 0.9587716E-01 (-1/4)Del**2(Rho)) -0.2396929E-01 Diamond 0.1221197E-01 Metallicity 0.1449801E+01 Ellipticity -0.3649123E+01 Gb(Abramov) 0.2177131E-01 Vb(Abramov) -0.1957333E-01 Hb(Abramov) 0.2197978E-02 Ex_ueg -0.5154424E-02 Ec_ueg -0.1045817E-02 Delta_ex -0.5937359E-02 Delta_ec 0.1679372E-02 Delta_et -0.1468489E-01 Pxc 0.4928612E+01 Qxc -0.3535465E+01 3,+1 126 3 +1 1.991486 2.004255 -2.002402 Rho 0.1247522E-01 |GRAD(Rho)| 0.9160711E-17 GRAD(Rho)x -0.1871364E-18 GRAD(Rho)y -0.8170657E-17 GRAD(Rho)z 0.4138112E-17 Laplacian 0.5921042E-01 (-1/4)Del**2(Rho)) -0.1480261E-01 Diamond 0.2095332E-02 Metallicity 0.7809597E+00 Ellipticity -0.1164409E+01 Gb(Abramov) 0.1179511E-01 Vb(Abramov) -0.8787615E-02 Hb(Abramov) 0.3007495E-02 Ex_ueg -0.2136892E-02 Ec_ueg -0.4815510E-03 Delta_ex -0.2828770E-02 Delta_ec 0.5691237E-03 Delta_et -0.4458144E-02 Pxc 0.4437520E+01 Qxc -0.4970396E+01 3,+1 127 3 +1 1.755056 1.754425 1.758537 Rho 0.1241879E-01 |GRAD(Rho)| 0.9865733E-17 GRAD(Rho)x 0.8387333E-17 GRAD(Rho)y -0.1908431E-17 GRAD(Rho)z -0.4831483E-17 Laplacian 0.6277098E-01 (-1/4)Del**2(Rho)) -0.1569275E-01 Diamond 0.2621740E-02 Metallicity 0.7311166E+00 Ellipticity -0.1242658E+01 Gb(Abramov) 0.1237404E-01 Vb(Abramov) -0.9055324E-02 Hb(Abramov) 0.3318711E-02 Ex_ueg -0.2124015E-02 Ec_ueg -0.4789364E-03 Delta_ex -0.3109498E-02 Delta_ec 0.8075243E-03 Delta_et -0.6111481E-02 Pxc 0.4434859E+01 Qxc -0.3850656E+01 3,+1 128 3 -1 1.976060 -2.976570 0.842176 Rho 0.1437953E+00 |GRAD(Rho)| 0.1060581E-12 GRAD(Rho)x 0.2901311E-13 GRAD(Rho)y -0.3331347E-14 GRAD(Rho)z 0.1019581E-12 Laplacian 0.5730429E+00 (-1/4)Del**2(Rho)) -0.1432607E+00 Diamond 0.1107887E+01 Metallicity 0.4746068E+01 Ellipticity 0.3037107E-01 Gb(Abramov) 0.2088280E+00 Vb(Abramov) -0.2743953E+00 Hb(Abramov) -0.6556727E-01 Ex_ueg -0.5563884E-01 Ec_ueg -0.8047515E-02 Delta_ex -0.6094834E-01 Delta_ec 0.1476845E-01 Delta_et -0.1955816E+00 Pxc 0.6913791E+01 Qxc -0.4126930E+01 3,-1 129 3 -1 2.781161 -0.578787 -1.805596 Rho 0.1429853E+00 |GRAD(Rho)| 0.1001510E-15 GRAD(Rho)x 0.5325466E-16 GRAD(Rho)y 0.7840137E-16 GRAD(Rho)z -0.3236343E-16 Laplacian 0.6040273E+00 (-1/4)Del**2(Rho)) -0.1510068E+00 Diamond 0.1158513E+01 Metallicity 0.4460420E+01 Ellipticity 0.8512439E-02 Gb(Abramov) 0.2129302E+00 Vb(Abramov) -0.2748536E+00 Hb(Abramov) -0.6192337E-01 Ex_ueg -0.5522136E-01 Ec_ueg -0.7995998E-02 Delta_ex -0.6414065E-01 Delta_ec 0.1556233E-01 Delta_et -0.2058671E+00 Pxc 0.6906125E+01 Qxc -0.4121532E+01 3,-1 130 3 -1 3.195074 -0.061119 -3.193652 Rho 0.2539202E+00 |GRAD(Rho)| 0.5389579E-15 GRAD(Rho)x -0.3221165E-15 GRAD(Rho)y 0.9736136E-16 GRAD(Rho)z 0.4209957E-15 Laplacian 0.9148874E+00 (-1/4)Del**2(Rho)) -0.2287219E+00 Diamond 0.3457067E+01 Metallicity 0.7669040E+01 Ellipticity 0.9417743E-03 Gb(Abramov) 0.4448274E+00 Vb(Abramov) -0.6609330E+00 Hb(Abramov) -0.2161056E+00 Ex_ueg -0.1187540E+00 Ec_ueg -0.1540668E-01 Delta_ex -0.1121530E+00 Delta_ec 0.1981901E-01 Delta_et -0.2746885E+00 Pxc 0.7707952E+01 Qxc -0.5658860E+01 3,-1 131 3 -1 3.200611 0.061759 3.196605 Rho 0.2542944E+00 |GRAD(Rho)| 0.3853288E-15 GRAD(Rho)x 0.3241764E-15 GRAD(Rho)y 0.3556183E-16 GRAD(Rho)z 0.2052395E-15 Laplacian 0.9135196E+00 (-1/4)Del**2(Rho)) -0.2283799E+00 Diamond 0.3459254E+01 Metallicity 0.7699398E+01 Ellipticity 0.9059740E-03 Gb(Abramov) 0.4453179E+00 Vb(Abramov) -0.6622559E+00 Hb(Abramov) -0.2169380E+00 Ex_ueg -0.1189874E+00 Ec_ueg -0.1543284E-01 Delta_ex -0.1120347E+00 Delta_ec 0.1979128E-01 Delta_et -0.2743624E+00 Pxc 0.7710012E+01 Qxc -0.5660814E+01 3,-1 132 3 -1 2.972800 0.841342 -1.974612 Rho 0.1429674E+00 |GRAD(Rho)| 0.3250080E-15 GRAD(Rho)x 0.4522478E-16 GRAD(Rho)y 0.1796930E-15 GRAD(Rho)z 0.2670119E-15 Laplacian 0.5703494E+00 (-1/4)Del**2(Rho)) -0.1425874E+00 Diamond 0.1095879E+01 Metallicity 0.4722810E+01 Ellipticity 0.3032965E-01 Gb(Abramov) 0.2072937E+00 Vb(Abramov) -0.2720001E+00 Hb(Abramov) -0.6470639E-01 Ex_ueg -0.5521212E-01 Ec_ueg -0.7994857E-02 Delta_ex -0.6058515E-01 Delta_ec 0.1473537E-01 Delta_et -0.1950102E+00 Pxc 0.6905954E+01 Qxc -0.4111545E+01 3,-1 133 3 -1 2.781490 0.576342 1.808321 Rho 0.1448130E+00 |GRAD(Rho)| 0.4132080E-12 GRAD(Rho)x -0.8866206E-13 GRAD(Rho)y -0.2580469E-12 GRAD(Rho)z 0.3103090E-12 Laplacian 0.6110578E+00 (-1/4)Del**2(Rho)) -0.1527644E+00 Diamond 0.1188953E+01 Metallicity 0.4503431E+01 Ellipticity 0.9162165E-02 Gb(Abramov) 0.2165037E+00 Vb(Abramov) -0.2802429E+00 Hb(Abramov) -0.6373920E-01 Ex_ueg -0.5616449E-01 Ec_ueg -0.8112303E-02 Delta_ex -0.6507774E-01 Delta_ec 0.1567474E-01 Delta_et -0.2076983E+00 Pxc 0.6923372E+01 Qxc -0.4151759E+01 3,-1 134 3 -1 1.693027 0.483101 -1.680881 Rho 0.4079625E-01 |GRAD(Rho)| 0.2187047E-16 GRAD(Rho)x 0.1896655E-16 GRAD(Rho)y -0.6759852E-17 GRAD(Rho)z 0.8537669E-17 Laplacian 0.1624274E+00 (-1/4)Del**2(Rho)) -0.4060686E-01 Diamond 0.6173556E-01 Metallicity 0.2051103E+01 Ellipticity 0.1038154E-01 Gb(Abramov) 0.4095271E-01 Vb(Abramov) -0.4129857E-01 Hb(Abramov) -0.3458560E-03 Ex_ueg -0.1037239E-01 Ec_ueg -0.1912827E-02 Delta_ex -0.1266700E-01 Delta_ec 0.4775186E-02 Delta_et -0.4770047E-01 Pxc 0.5422543E+01 Qxc -0.2652671E+01 3,-1 135 3 -1 -3.194394 3.201962 -0.061159 Rho 0.2541630E+00 |GRAD(Rho)| 0.1066343E-14 GRAD(Rho)x -0.6765422E-15 GRAD(Rho)y 0.7886487E-15 GRAD(Rho)z -0.2396087E-15 Laplacian 0.9129419E+00 (-1/4)Del**2(Rho)) -0.2282355E+00 Diamond 0.3455905E+01 Metallicity 0.7697631E+01 Ellipticity 0.1132021E-02 Gb(Abramov) 0.4449691E+00 Vb(Abramov) -0.6617027E+00 Hb(Abramov) -0.2167336E+00 Ex_ueg -0.1189053E+00 Ec_ueg -0.1542365E-01 Delta_ex -0.1119536E+00 Delta_ec 0.1979061E-01 Delta_et -0.2743923E+00 Pxc 0.7709289E+01 Qxc -0.5656902E+01 3,-1 136 3 +3 -1.833181 1.833659 1.834951 Rho 0.1238879E-01 |GRAD(Rho)| 0.1820666E-16 GRAD(Rho)x 0.2637805E-17 GRAD(Rho)y 0.1542611E-16 GRAD(Rho)z -0.9303730E-17 Laplacian 0.5692827E-01 (-1/4)Del**2(Rho)) -0.1423207E-01 Diamond 0.1280570E-02 Metallicity 0.8029098E+00 Ellipticity -0.6983049E+00 Gb(Abramov) 0.1139256E-01 Vb(Abramov) -0.8553045E-02 Hb(Abramov) 0.2839511E-02 Ex_ueg -0.2117176E-02 Ec_ueg -0.4775466E-03 Delta_ex -0.2516592E-02 Delta_ec 0.1937569E-03 Delta_et -0.1875912E-02 Pxc 0.4433444E+01 Qxc -0.1298840E+02 3,+3 137 3 -1 -0.485633 1.687683 1.688412 Rho 0.3972114E-01 |GRAD(Rho)| 0.7044559E-16 GRAD(Rho)x 0.4571331E-17 GRAD(Rho)y 0.6579794E-16 GRAD(Rho)z -0.2474501E-16 Laplacian 0.1576255E+00 (-1/4)Del**2(Rho)) -0.3940638E-01 Diamond 0.5758178E-01 Metallicity 0.2021573E+01 Ellipticity 0.1057918E-01 Gb(Abramov) 0.3954807E-01 Vb(Abramov) -0.3968975E-01 Hb(Abramov) -0.1416851E-03 Ex_ueg -0.1000954E-01 Ec_ueg -0.1855118E-02 Delta_ex -0.1219995E-01 Delta_ec 0.4614779E-02 Delta_et -0.4576663E-01 Pxc 0.5395632E+01 Qxc -0.2643669E+01 3,-1 138 3 -1 -1.682813 1.690342 0.486993 Rho 0.3945988E-01 |GRAD(Rho)| 0.1345131E-15 GRAD(Rho)x -0.9381504E-16 GRAD(Rho)y 0.9085487E-16 GRAD(Rho)z -0.3221647E-16 Laplacian 0.1564527E+00 (-1/4)Del**2(Rho)) -0.3911317E-01 Diamond 0.5661906E-01 Metallicity 0.2014450E+01 Ellipticity 0.1088959E-01 Gb(Abramov) 0.3920736E-01 Vb(Abramov) -0.3930156E-01 Hb(Abramov) -0.9419738E-04 Ex_ueg -0.9921852E-02 Ec_ueg -0.1841127E-02 Delta_ex -0.1208794E-01 Delta_ec 0.4578148E-02 Delta_et -0.4532265E-01 Pxc 0.5389011E+01 Qxc -0.2640355E+01 3,-1 139 3 -1 -0.580590 1.822562 -2.791401 Rho 0.1337809E+00 |GRAD(Rho)| 0.3822801E-15 GRAD(Rho)x -0.2759566E-15 GRAD(Rho)y -0.2447315E-15 GRAD(Rho)z -0.1004615E-15 Laplacian 0.5646652E+00 (-1/4)Del**2(Rho)) -0.1411663E+00 Diamond 0.9860432E+00 Metallicity 0.4270504E+01 Ellipticity 0.1274813E-01 Gb(Abramov) 0.1945861E+00 Vb(Abramov) -0.2480059E+00 Hb(Abramov) -0.5341978E-01 Ex_ueg -0.5053326E-01 Ec_ueg -0.7413491E-02 Delta_ex -0.5883947E-01 Delta_ec 0.1449943E-01 Delta_et -0.1893054E+00 Pxc 0.6816393E+01 Qxc -0.4058053E+01 3,-1 140 3 -1 -0.576629 2.787362 -1.824839 Rho 0.1311157E+00 |GRAD(Rho)| 0.1672910E-15 GRAD(Rho)x 0.6627186E-17 GRAD(Rho)y 0.1225826E-16 GRAD(Rho)z 0.1667096E-15 Laplacian 0.5524557E+00 (-1/4)Del**2(Rho)) -0.1381139E+00 Diamond 0.9425252E+00 Metallicity 0.4220916E+01 Ellipticity 0.9436342E-02 Gb(Abramov) 0.1892372E+00 Vb(Abramov) -0.2403604E+00 Hb(Abramov) -0.5112324E-01 Ex_ueg -0.4919541E-01 Ec_ueg -0.7245840E-02 Delta_ex -0.5729704E-01 Delta_ec 0.1427316E-01 Delta_et -0.1858018E+00 Pxc 0.6789469E+01 Qxc -0.4014320E+01 3,-1 141 3 -1 -0.839756 1.974142 2.975212 Rho 0.1428947E+00 |GRAD(Rho)| 0.2375301E-15 GRAD(Rho)x -0.1900606E-15 GRAD(Rho)y -0.9428493E-16 GRAD(Rho)z -0.1068075E-15 Laplacian 0.5700086E+00 (-1/4)Del**2(Rho)) -0.1425022E+00 Diamond 0.1093952E+01 Metallicity 0.4721631E+01 Ellipticity 0.2917354E-01 Gb(Abramov) 0.2071419E+00 Vb(Abramov) -0.2717816E+00 Hb(Abramov) -0.6463972E-01 Ex_ueg -0.5517470E-01 Ec_ueg -0.7990237E-02 Delta_ex -0.6053502E-01 Delta_ec 0.1471694E-01 Delta_et -0.1947272E+00 Pxc 0.6905265E+01 Qxc -0.4113288E+01 3,-1 142 3 -1 0.365504 -0.366849 0.366619 Rho 0.2021734E+00 |GRAD(Rho)| 0.4851218E-15 GRAD(Rho)x 0.4402299E-15 GRAD(Rho)y -0.1904300E-15 GRAD(Rho)z 0.7264448E-16 Laplacian 0.7239924E+00 (-1/4)Del**2(Rho)) -0.1809981E+00 Diamond 0.2337999E+01 Metallicity 0.6628561E+01 Ellipticity 0.9217755E-03 Gb(Abramov) 0.3206249E+00 Vb(Abramov) -0.4602517E+00 Hb(Abramov) -0.1396268E+00 Ex_ueg -0.8763626E-01 Ec_ueg -0.1186359E-01 Delta_ex -0.8538278E-01 Delta_ec 0.1983939E-01 Delta_et -0.2829401E+00 Pxc 0.7386991E+01 Qxc -0.4303701E+01 3,-1 143 3 +3 1.821968 1.840382 -1.839417 Rho 0.1216880E-01 |GRAD(Rho)| 0.1206689E-13 GRAD(Rho)x -0.6660508E-14 GRAD(Rho)y -0.7178569E-14 GRAD(Rho)z 0.7050930E-14 Laplacian 0.5585628E-01 (-1/4)Del**2(Rho)) -0.1396407E-01 Diamond 0.1223982E-02 Metallicity 0.7942447E+00 Ellipticity -0.6659512E+00 Gb(Abramov) 0.1115786E-01 Vb(Abramov) -0.8351653E-02 Hb(Abramov) 0.2806209E-02 Ex_ueg -0.2067199E-02 Ec_ueg -0.4673672E-03 Delta_ex -0.2455774E-02 Delta_ec 0.1894811E-03 Delta_et -0.1834108E-02 Pxc 0.4423072E+01 Qxc -0.1296052E+02 3,+3 144 3 -1 1.691209 1.683054 -0.486616 Rho 0.4071469E-01 |GRAD(Rho)| 0.7488469E-16 GRAD(Rho)x -0.6133217E-16 GRAD(Rho)y -0.1696946E-16 GRAD(Rho)z -0.3947301E-16 Laplacian 0.1621734E+00 (-1/4)Del**2(Rho)) -0.4054335E-01 Diamond 0.6146050E-01 Metallicity 0.2047476E+01 Ellipticity 0.1018973E-01 Gb(Abramov) 0.4086415E-01 Vb(Abramov) -0.4118495E-01 Hb(Abramov) -0.3208037E-03 Ex_ueg -0.1034475E-01 Ec_ueg -0.1908442E-02 Delta_ex -0.1264027E-01 Delta_ec 0.4766671E-02 Delta_et -0.4758974E-01 Pxc 0.5420521E+01 Qxc -0.2651802E+01 3,-1 145 3 +1 1.032509 2.101839 -1.335117 Rho 0.2406145E-01 |GRAD(Rho)| 0.2371551E-16 GRAD(Rho)x -0.1356947E-16 GRAD(Rho)y 0.3727861E-17 GRAD(Rho)z -0.1908921E-16 Laplacian 0.9531972E-01 (-1/4)Del**2(Rho)) -0.2382993E-01 Diamond 0.1195521E-01 Metallicity 0.1449773E+01 Ellipticity -0.3464703E+01 Gb(Abramov) 0.2164462E-01 Vb(Abramov) -0.1945931E-01 Hb(Abramov) 0.2185311E-02 Ex_ueg -0.5130355E-02 Ec_ueg -0.1041577E-02 Delta_ex -0.5882799E-02 Delta_ec 0.1643633E-02 Delta_et -0.1436634E-01 Pxc 0.4925567E+01 Qxc -0.3579143E+01 3,+1 146 3 -1 1.973582 2.975611 -0.842708 Rho 0.1464694E+00 |GRAD(Rho)| 0.8986572E-14 GRAD(Rho)x 0.5233986E-14 GRAD(Rho)y -0.3167619E-14 GRAD(Rho)z 0.6582557E-14 Laplacian 0.5823665E+00 (-1/4)Del**2(Rho)) -0.1455916E+00 Diamond 0.1152148E+01 Metallicity 0.4815725E+01 Ellipticity 0.3449663E-01 Gb(Abramov) 0.2139160E+00 Vb(Abramov) -0.2822403E+00 Hb(Abramov) -0.6832433E-01 Ex_ueg -0.5702268E-01 Ec_ueg -0.8217890E-02 Delta_ex -0.6223031E-01 Delta_ec 0.1496007E-01 Delta_et -0.1986951E+00 Pxc 0.6938847E+01 Qxc -0.4159761E+01 3,-1 147 3 -1 1.806065 2.781890 0.576887 Rho 0.1425121E+00 |GRAD(Rho)| 0.3755014E-15 GRAD(Rho)x 0.3626385E-15 GRAD(Rho)y -0.7705289E-16 GRAD(Rho)z -0.5964467E-16 Laplacian 0.6023851E+00 (-1/4)Del**2(Rho)) -0.1505963E+00 Diamond 0.1151309E+01 Metallicity 0.4447935E+01 Ellipticity 0.9023421E-02 Gb(Abramov) 0.2120379E+00 Vb(Abramov) -0.2734796E+00 Hb(Abramov) -0.6144164E-01 Ex_ueg -0.5497779E-01 Ec_ueg -0.7965916E-02 Delta_ex -0.6392027E-01 Delta_ec 0.1554285E-01 Delta_et -0.2055301E+00 Pxc 0.6901629E+01 Qxc -0.4112519E+01 3,-1 148 3 -1 2.971342 1.977887 -0.843102 Rho 0.1435432E+00 |GRAD(Rho)| 0.5698949E-13 GRAD(Rho)x -0.1487437E-13 GRAD(Rho)y -0.4385090E-13 GRAD(Rho)z -0.3322128E-13 Laplacian 0.5723677E+00 (-1/4)Del**2(Rho)) -0.1430919E+00 Diamond 0.1105393E+01 Metallicity 0.4737791E+01 Ellipticity 0.3011025E-01 Gb(Abramov) 0.2083845E+00 Vb(Abramov) -0.2736772E+00 Hb(Abramov) -0.6529263E-01 Ex_ueg -0.5550882E-01 Ec_ueg -0.8031477E-02 Delta_ex -0.6086250E-01 Delta_ec 0.1477890E-01 Delta_et -0.1957156E+00 Pxc 0.6911409E+01 Qxc -0.4118203E+01 3,-1 149 3 -1 3.198775 -3.201598 -0.056805 Rho 0.2543546E+00 |GRAD(Rho)| 0.3910973E-14 GRAD(Rho)x -0.3548702E-14 GRAD(Rho)y 0.4966730E-15 GRAD(Rho)z -0.1567079E-14 Laplacian 0.9137212E+00 (-1/4)Del**2(Rho)) -0.2284303E+00 Diamond 0.3461005E+01 Metallicity 0.7700734E+01 Ellipticity 0.8797458E-03 Gb(Abramov) 0.4454670E+00 Vb(Abramov) -0.6625038E+00 Hb(Abramov) -0.2170367E+00 Ex_ueg -0.1190249E+00 Ec_ueg -0.1543704E-01 Delta_ex -0.1120664E+00 Delta_ec 0.1979423E-01 Delta_et -0.2744045E+00 Pxc 0.7710343E+01 Qxc -0.5661571E+01 3,-1 150 3 +3 -1.834213 -1.833573 -1.834195 Rho 0.1238914E-01 |GRAD(Rho)| 0.4291731E-16 GRAD(Rho)x -0.2103340E-16 GRAD(Rho)y 0.2476856E-17 GRAD(Rho)z 0.3732770E-16 Laplacian 0.5692293E-01 (-1/4)Del**2(Rho)) -0.1423073E-01 Diamond 0.1280176E-02 Metallicity 0.8030224E+00 Ellipticity -0.6982732E+00 Gb(Abramov) 0.1139175E-01 Vb(Abramov) -0.8552776E-02 Hb(Abramov) 0.2838978E-02 Ex_ueg -0.2117255E-02 Ec_ueg -0.4775626E-03 Delta_ex -0.2516287E-02 Delta_ec 0.1935782E-03 Delta_et -0.1874648E-02 Pxc 0.4433460E+01 Qxc -0.1299881E+02 3,+3 151 3 -1 0.061196 3.196375 3.201729 Rho 0.2543392E+00 |GRAD(Rho)| 0.4594485E-13 GRAD(Rho)x -0.8096930E-14 GRAD(Rho)y -0.3219495E-13 GRAD(Rho)z -0.3176246E-13 Laplacian 0.9138055E+00 (-1/4)Del**2(Rho)) -0.2284514E+00 Diamond 0.3460979E+01 Metallicity 0.7699248E+01 Ellipticity 0.8603430E-03 Gb(Abramov) 0.4454516E+00 Vb(Abramov) -0.6624517E+00 Hb(Abramov) -0.2170002E+00 Ex_ueg -0.1190153E+00 Ec_ueg -0.1543597E-01 Delta_ex -0.1120746E+00 Delta_ec 0.1979560E-01 Delta_et -0.2744193E+00 Pxc 0.7710258E+01 Qxc -0.5661588E+01 3,-1 152 3 +1 -2.110047 -1.184014 -1.176671 Rho 0.2530315E-01 |GRAD(Rho)| 0.1857744E-13 GRAD(Rho)x -0.1568201E-13 GRAD(Rho)y -0.9901711E-14 GRAD(Rho)z -0.1073281E-14 Laplacian 0.1021351E+00 (-1/4)Del**2(Rho)) -0.2553377E-01 Diamond 0.1493364E-01 Metallicity 0.1471394E+01 Ellipticity -0.6874771E+01 Gb(Abramov) 0.2328422E-01 Vb(Abramov) -0.2103467E-01 Hb(Abramov) 0.2249550E-02 Ex_ueg -0.5486362E-02 Ec_ueg -0.1103989E-02 Delta_ex -0.6517233E-02 Delta_ec 0.1991135E-02 Delta_et -0.1757034E-01 Pxc 0.4969579E+01 Qxc -0.3273125E+01 3,+1 153 3 -1 0.374108 0.359579 -0.360207 Rho 0.2043808E+00 |GRAD(Rho)| 0.3491920E-15 GRAD(Rho)x -0.1934485E-15 GRAD(Rho)y -0.2334976E-15 GRAD(Rho)z 0.1731809E-15 Laplacian 0.7450544E+00 (-1/4)Del**2(Rho)) -0.1862636E+00 Diamond 0.2432592E+01 Metallicity 0.6558813E+01 Ellipticity 0.3747135E-02 Gb(Abramov) 0.3277871E+00 Vb(Abramov) -0.4693106E+00 Hb(Abramov) -0.1415235E+00 Ex_ueg -0.8891434E-01 Ec_ueg -0.1201171E-01 Delta_ex -0.8807080E-01 Delta_ec 0.2030105E-01 Delta_et -0.2897469E+00 Pxc 0.7402302E+01 Qxc -0.4338238E+01 3,-1 154 3 -1 2.973998 -0.841831 1.977060 Rho 0.1424732E+00 |GRAD(Rho)| 0.1688015E-14 GRAD(Rho)x -0.5946849E-15 GRAD(Rho)y 0.1281893E-14 GRAD(Rho)z 0.9233066E-15 Laplacian 0.5681091E+00 (-1/4)Del**2(Rho)) -0.1420273E+00 Diamond 0.1086531E+01 Metallicity 0.4714150E+01 Ellipticity 0.2902388E-01 Gb(Abramov) 0.2062745E+00 Vb(Abramov) -0.2705217E+00 Hb(Abramov) -0.6424722E-01 Ex_ueg -0.5495779E-01 Ec_ueg -0.7963445E-02 Delta_ex -0.6029077E-01 Delta_ec 0.1468016E-01 Delta_et -0.1941586E+00 Pxc 0.6901259E+01 Qxc -0.4106957E+01 3,-1 155 3 -1 2.783100 -1.812182 -0.573647 Rho 0.1429767E+00 |GRAD(Rho)| 0.3222994E-15 GRAD(Rho)x -0.6376464E-16 GRAD(Rho)y -0.2962989E-15 GRAD(Rho)z 0.1096264E-15 Laplacian 0.6032148E+00 (-1/4)Del**2(Rho)) -0.1508037E+00 Diamond 0.1156683E+01 Metallicity 0.4465978E+01 Ellipticity 0.9274524E-02 Gb(Abramov) 0.2127835E+00 Vb(Abramov) -0.2747632E+00 Hb(Abramov) -0.6197977E-01 Ex_ueg -0.5521691E-01 Ec_ueg -0.7995448E-02 Delta_ex -0.6405143E-01 Delta_ec 0.1553807E-01 Delta_et -0.2055367E+00 Pxc 0.6906043E+01 Qxc -0.4122224E+01 3,-1 156 3 -1 -1.808605 -2.783796 0.578229 Rho 0.1441119E+00 |GRAD(Rho)| 0.5357326E-11 GRAD(Rho)x 0.3185185E-11 GRAD(Rho)y 0.3366153E-12 GRAD(Rho)z 0.4294441E-11 Laplacian 0.6082235E+00 (-1/4)Del**2(Rho)) -0.1520559E+00 Diamond 0.1177100E+01 Metallicity 0.4487970E+01 Ellipticity 0.9022509E-02 Gb(Abramov) 0.2151076E+00 Vb(Abramov) -0.2781594E+00 Hb(Abramov) -0.6305175E-01 Ex_ueg -0.5580225E-01 Ec_ueg -0.8067666E-02 Delta_ex -0.6470476E-01 Delta_ec 0.1563076E-01 Delta_et -0.2069908E+00 Pxc 0.6916778E+01 Qxc -0.4139578E+01 3,-1 157 3 -1 -0.839269 -1.975350 -2.972160 Rho 0.1421788E+00 |GRAD(Rho)| 0.2413575E-15 GRAD(Rho)x -0.5238052E-16 GRAD(Rho)y 0.2142383E-15 GRAD(Rho)z -0.9803898E-16 Laplacian 0.5668362E+00 (-1/4)Del**2(Rho)) -0.1417091E+00 Diamond 0.1081550E+01 Metallicity 0.4708477E+01 Ellipticity 0.2826382E-01 Gb(Abramov) 0.2056783E+00 Vb(Abramov) -0.2696476E+00 Hb(Abramov) -0.6396929E-01 Ex_ueg -0.5480645E-01 Ec_ueg -0.7944742E-02 Delta_ex -0.6012689E-01 Delta_ec 0.1465739E-01 Delta_et -0.1938034E+00 Pxc 0.6898455E+01 Qxc -0.4102155E+01 3,-1 158 3 +1 -1.179868 -1.179040 -2.112019 Rho 0.2540091E-01 |GRAD(Rho)| 0.6179421E-16 GRAD(Rho)x 0.6631075E-17 GRAD(Rho)y 0.2809626E-16 GRAD(Rho)z 0.5463656E-16 Laplacian 0.1026067E+00 (-1/4)Del**2(Rho)) -0.2565169E-01 Diamond 0.1507654E-01 Metallicity 0.1474074E+01 Ellipticity -0.6890130E+01 Gb(Abramov) 0.2340321E-01 Vb(Abramov) -0.2115473E-01 Hb(Abramov) 0.2248480E-02 Ex_ueg -0.5514643E-02 Ec_ueg -0.1108920E-02 Delta_ex -0.6553327E-02 Delta_ec 0.1999249E-02 Delta_et -0.1765953E-01 Pxc 0.4972983E+01 Qxc -0.3277894E+01 3,+1 159 3 -1 0.842193 -1.976259 2.974306 Rho 0.1441377E+00 |GRAD(Rho)| 0.9270772E-14 GRAD(Rho)x -0.5370812E-14 GRAD(Rho)y -0.5328528E-14 GRAD(Rho)z -0.5358019E-14 Laplacian 0.5744105E+00 (-1/4)Del**2(Rho)) -0.1436026E+00 Diamond 0.1113689E+01 Metallicity 0.4753571E+01 Ellipticity 0.3128357E-01 Gb(Abramov) 0.2095059E+00 Vb(Abramov) -0.2754093E+00 Hb(Abramov) -0.6590332E-01 Ex_ueg -0.5581553E-01 Ec_ueg -0.8069302E-02 Delta_ex -0.6112908E-01 Delta_ec 0.1479472E-01 Delta_et -0.1959975E+00 Pxc 0.6917020E+01 Qxc -0.4131817E+01 3,-1 160 3 -1 0.575586 -1.808276 -2.780515 Rho 0.1424874E+00 |GRAD(Rho)| 0.2627316E-13 GRAD(Rho)x 0.2553811E-13 GRAD(Rho)y -0.5620911E-15 GRAD(Rho)z 0.6145570E-14 Laplacian 0.6011281E+00 (-1/4)Del**2(Rho)) -0.1502820E+00 Diamond 0.1148613E+01 Metallicity 0.4455949E+01 Ellipticity 0.8465174E-02 Gb(Abramov) 0.2117962E+00 Vb(Abramov) -0.2733104E+00 Hb(Abramov) -0.6151417E-01 Ex_ueg -0.5496510E-01 Ec_ueg -0.7964347E-02 Delta_ex -0.6378361E-01 Delta_ec 0.1551003E-01 Delta_et -0.2050887E+00 Pxc 0.6901394E+01 Qxc -0.4112410E+01 3,-1 161 3 -1 1.977759 0.841549 -2.971357 Rho 0.1433601E+00 |GRAD(Rho)| 0.7361182E-13 GRAD(Rho)x -0.2189470E-13 GRAD(Rho)y -0.7026076E-13 GRAD(Rho)z 0.1657786E-14 Laplacian 0.5696808E+00 (-1/4)Del**2(Rho)) -0.1424202E+00 Diamond 0.1099212E+01 Metallicity 0.4750021E+01 Ellipticity 0.3099793E-01 Gb(Abramov) 0.2076966E+00 Vb(Abramov) -0.2729731E+00 Hb(Abramov) -0.6527643E-01 Ex_ueg -0.5541443E-01 Ec_ueg -0.8019831E-02 Delta_ex -0.6056527E-01 Delta_ec 0.1472721E-01 Delta_et -0.1950223E+00 Pxc 0.6909676E+01 Qxc -0.4112474E+01 3,-1 162 3 -1 2.974287 -1.979756 0.843416 Rho 0.1444384E+00 |GRAD(Rho)| 0.4065919E-15 GRAD(Rho)x -0.3698485E-16 GRAD(Rho)y -0.3261009E-15 GRAD(Rho)z -0.2400153E-15 Laplacian 0.5759858E+00 (-1/4)Del**2(Rho)) -0.1439965E+00 Diamond 0.1119805E+01 Metallicity 0.4757065E+01 Ellipticity 0.3050181E-01 Gb(Abramov) 0.2101644E+00 Vb(Abramov) -0.2763323E+00 Hb(Abramov) -0.6616792E-01 Ex_ueg -0.5597085E-01 Ec_ueg -0.8088446E-02 Delta_ex -0.6133070E-01 Delta_ec 0.1483263E-01 Delta_et -0.1965705E+00 Pxc 0.6919852E+01 Qxc -0.4134849E+01 3,-1 163 3 -1 -0.840919 -2.973355 -1.976389 Rho 0.1444343E+00 |GRAD(Rho)| 0.2014986E-15 GRAD(Rho)x -0.1713039E-16 GRAD(Rho)y -0.1007224E-15 GRAD(Rho)z 0.1736756E-15 Laplacian 0.5762167E+00 (-1/4)Del**2(Rho)) -0.1440542E+00 Diamond 0.1120154E+01 Metallicity 0.4754934E+01 Ellipticity 0.3060213E-01 Gb(Abramov) 0.2101974E+00 Vb(Abramov) -0.2763407E+00 Hb(Abramov) -0.6614328E-01 Ex_ueg -0.5596873E-01 Ec_ueg -0.8088185E-02 Delta_ex -0.6135421E-01 Delta_ec 0.1483753E-01 Delta_et -0.1966321E+00 Pxc 0.6919813E+01 Qxc -0.4135069E+01 3,-1 164 3 -1 -0.575719 -2.782407 1.809554 Rho 0.1420469E+00 |GRAD(Rho)| 0.1113767E-13 GRAD(Rho)x 0.6150056E-14 GRAD(Rho)y 0.3870846E-14 GRAD(Rho)z 0.8440446E-14 Laplacian 0.5993805E+00 (-1/4)Del**2(Rho)) -0.1498451E+00 Diamond 0.1140945E+01 Metallicity 0.4445937E+01 Ellipticity 0.8730949E-02 Gb(Abramov) 0.2109304E+00 Vb(Abramov) -0.2720157E+00 Hb(Abramov) -0.6108528E-01 Ex_ueg -0.5473863E-01 Ec_ueg -0.7936358E-02 Delta_ex -0.6354935E-01 Delta_ec 0.1547518E-01 Delta_et -0.2045303E+00 Pxc 0.6897197E+01 Qxc -0.4106534E+01 3,-1 165 3 -1 -0.059813 -3.195730 3.199702 Rho 0.2541909E+00 |GRAD(Rho)| 0.2535260E-15 GRAD(Rho)x -0.1227859E-16 GRAD(Rho)y -0.3740497E-16 GRAD(Rho)z -0.2504507E-15 Laplacian 0.9147177E+00 (-1/4)Del**2(Rho)) -0.2286794E+00 Diamond 0.3460652E+01 Metallicity 0.7684096E+01 Ellipticity 0.8940110E-03 Gb(Abramov) 0.4453188E+00 Vb(Abramov) -0.6619581E+00 Hb(Abramov) -0.2166393E+00 Ex_ueg -0.1189228E+00 Ec_ueg -0.1542560E-01 Delta_ex -0.1121626E+00 Delta_ec 0.1980702E-01 Delta_et -0.2745184E+00 Pxc 0.7709443E+01 Qxc -0.5662768E+01 3,-1 166 3 -1 -1.811101 -0.576190 2.780728 Rho 0.1425082E+00 |GRAD(Rho)| 0.5710220E-12 GRAD(Rho)x -0.4163309E-12 GRAD(Rho)y 0.3807077E-12 GRAD(Rho)z -0.8829688E-13 Laplacian 0.6015480E+00 (-1/4)Del**2(Rho)) -0.1503870E+00 Diamond 0.1149312E+01 Metallicity 0.4453920E+01 Ellipticity 0.8981676E-02 Gb(Abramov) 0.2118933E+00 Vb(Abramov) -0.2733996E+00 Hb(Abramov) -0.6150628E-01 Ex_ueg -0.5497577E-01 Ec_ueg -0.7965666E-02 Delta_ex -0.6382718E-01 Delta_ec 0.1551451E-01 Delta_et -0.2051399E+00 Pxc 0.6901591E+01 Qxc -0.4114031E+01 3,-1 167 3 -1 -0.358545 -0.363707 -0.363137 Rho 0.2025884E+00 |GRAD(Rho)| 0.3527500E-11 GRAD(Rho)x 0.2042637E-11 GRAD(Rho)y 0.2029944E-11 GRAD(Rho)z 0.2037209E-11 Laplacian 0.7272187E+00 (-1/4)Del**2(Rho)) -0.1818047E+00 Diamond 0.2353904E+01 Metallicity 0.6621744E+01 Ellipticity 0.8797983E-04 Gb(Abramov) 0.3218471E+00 Vb(Abramov) -0.4618896E+00 Hb(Abramov) -0.1400424E+00 Ex_ueg -0.8787617E-01 Ec_ueg -0.1189142E-01 Delta_ex -0.8580487E-01 Delta_ec 0.1991376E-01 Delta_et -0.2840646E+00 Pxc 0.7389881E+01 Qxc -0.4308823E+01 3,-1 168 3 -1 -2.972514 -1.976831 -0.837856 Rho 0.1427360E+00 |GRAD(Rho)| 0.3350915E-14 GRAD(Rho)x -0.2824428E-14 GRAD(Rho)y -0.1793907E-14 GRAD(Rho)z 0.1820240E-15 Laplacian 0.5693871E+00 (-1/4)Del**2(Rho)) -0.1423468E+00 Diamond 0.1091393E+01 Metallicity 0.4718040E+01 Ellipticity 0.2867245E-01 Gb(Abramov) 0.2068308E+00 Vb(Abramov) -0.2713148E+00 Hb(Abramov) -0.6448403E-01 Ex_ueg -0.5509302E-01 Ec_ueg -0.7980149E-02 Delta_ex -0.6045361E-01 Delta_ec 0.1470664E-01 Delta_et -0.1945624E+00 Pxc 0.6903758E+01 Qxc -0.4110634E+01 3,-1 169 3 -1 0.830993 2.973142 -1.988258 Rho 0.1304864E+00 |GRAD(Rho)| 0.6593886E-14 GRAD(Rho)x -0.2490006E-15 GRAD(Rho)y 0.4921851E-14 GRAD(Rho)z -0.4380949E-14 Laplacian 0.5168857E+00 (-1/4)Del**2(Rho)) -0.1292214E+00 Diamond 0.8794883E+00 Metallicity 0.4475352E+01 Ellipticity 0.3803808E-01 Gb(Abramov) 0.1825328E+00 Vb(Abramov) -0.2358443E+00 Hb(Abramov) -0.5331141E-01 Ex_ueg -0.4888083E-01 Ec_ueg -0.7206323E-02 Delta_ex -0.5357832E-01 Delta_ec 0.1342815E-01 Delta_et -0.1747801E+00 Pxc 0.6783047E+01 Qxc -0.3989999E+01 3,-1 170 3 -1 -2.974134 -0.842062 -1.975982 Rho 0.1439973E+00 |GRAD(Rho)| 0.3033686E-15 GRAD(Rho)x 0.5033409E-16 GRAD(Rho)y 0.2717688E-15 GRAD(Rho)z -0.1250627E-15 Laplacian 0.5747098E+00 (-1/4)Del**2(Rho)) -0.1436774E+00 Diamond 0.1112781E+01 Metallicity 0.4743386E+01 Ellipticity 0.3005572E-01 Gb(Abramov) 0.2093712E+00 Vb(Abramov) -0.2750650E+00 Hb(Abramov) -0.6569378E-01 Ex_ueg -0.5574306E-01 Ec_ueg -0.8060368E-02 Delta_ex -0.6114444E-01 Delta_ec 0.1480249E-01 Delta_et -0.1960648E+00 Pxc 0.6915697E+01 Qxc -0.4130686E+01 3,-1 171 3 -1 0.577054 2.781255 1.812804 Rho 0.1440383E+00 |GRAD(Rho)| 0.2646458E-13 GRAD(Rho)x 0.2575398E-13 GRAD(Rho)y -0.6061334E-14 GRAD(Rho)z 0.6059741E-15 Laplacian 0.6081161E+00 (-1/4)Del**2(Rho)) -0.1520290E+00 Diamond 0.1176957E+01 Metallicity 0.4484940E+01 Ellipticity 0.8529953E-02 Gb(Abramov) 0.2149928E+00 Vb(Abramov) -0.2779567E+00 Hb(Abramov) -0.6296383E-01 Ex_ueg -0.5576423E-01 Ec_ueg -0.8062978E-02 Delta_ex -0.6469353E-01 Delta_ec 0.1564475E-01 Delta_et -0.2071925E+00 Pxc 0.6916083E+01 Qxc -0.4135160E+01 3,-1 172 3 -1 1.810208 0.576466 2.784278 Rho 0.1434153E+00 |GRAD(Rho)| 0.5329636E-15 GRAD(Rho)x 0.4798001E-15 GRAD(Rho)y -0.2257987E-15 GRAD(Rho)z -0.5345117E-16 Laplacian 0.6051582E+00 (-1/4)Del**2(Rho)) -0.1512895E+00 Diamond 0.1164980E+01 Metallicity 0.4474417E+01 Ellipticity 0.8947125E-02 Gb(Abramov) 0.2136818E+00 Vb(Abramov) -0.2760740E+00 Hb(Abramov) -0.6239224E-01 Ex_ueg -0.5544284E-01 Ec_ueg -0.8023337E-02 Delta_ex -0.6430895E-01 Delta_ec 0.1558199E-01 Delta_et -0.2062229E+00 Pxc 0.6910198E+01 Qxc -0.4127132E+01 3,-1 173 3 -1 0.061371 -3.198374 -3.196870 Rho 0.2543222E+00 |GRAD(Rho)| 0.4258944E-15 GRAD(Rho)x 0.7006657E-16 GRAD(Rho)y -0.3756761E-15 GRAD(Rho)z -0.1880007E-15 Laplacian 0.9138251E+00 (-1/4)Del**2(Rho)) -0.2284563E+00 Diamond 0.3460679E+01 Metallicity 0.7698222E+01 Ellipticity 0.8504084E-03 Gb(Abramov) 0.4454221E+00 Vb(Abramov) -0.6623878E+00 Hb(Abramov) -0.2169658E+00 Ex_ueg -0.1190047E+00 Ec_ueg -0.1543478E-01 Delta_ex -0.1120745E+00 Delta_ec 0.1979560E-01 Delta_et -0.2744151E+00 Pxc 0.7710165E+01 Qxc -0.5661587E+01 3,-1 174 3 -1 -1.976544 -0.840459 -2.974281 Rho 0.1445502E+00 |GRAD(Rho)| 0.3832243E-12 GRAD(Rho)x -0.2355444E-12 GRAD(Rho)y 0.2752453E-12 GRAD(Rho)z 0.1249787E-12 Laplacian 0.5766272E+00 (-1/4)Del**2(Rho)) -0.1441568E+00 Diamond 0.1121826E+01 Metallicity 0.4757906E+01 Ellipticity 0.3100447E-01 Gb(Abramov) 0.2104186E+00 Vb(Abramov) -0.2766804E+00 Hb(Abramov) -0.6626182E-01 Ex_ueg -0.5602863E-01 Ec_ueg -0.8095566E-02 Delta_ex -0.6140779E-01 Delta_ec 0.1484131E-01 Delta_et -0.1966970E+00 Pxc 0.6920903E+01 Qxc -0.4137625E+01 3,-1 175 3 -1 0.577680 -2.783040 -1.808651 Rho 0.1441902E+00 |GRAD(Rho)| 0.1576668E-15 GRAD(Rho)x 0.8555710E-16 GRAD(Rho)y -0.6432029E-16 GRAD(Rho)z 0.1157657E-15 Laplacian 0.6088469E+00 (-1/4)Del**2(Rho)) -0.1522117E+00 Diamond 0.1179248E+01 Metallicity 0.4487434E+01 Ellipticity 0.9025115E-02 Gb(Abramov) 0.2153145E+00 Vb(Abramov) -0.2784172E+00 Hb(Abramov) -0.6310275E-01 Ex_ueg -0.5584266E-01 Ec_ueg -0.8072647E-02 Delta_ex -0.6478148E-01 Delta_ec 0.1564794E-01 Delta_et -0.2072417E+00 Pxc 0.6917515E+01 Qxc -0.4139938E+01 3,-1 176 3 -1 0.840080 -2.974258 1.976743 Rho 0.1429062E+00 |GRAD(Rho)| 0.8956220E-13 GRAD(Rho)x -0.2165954E-13 GRAD(Rho)y -0.6161879E-13 GRAD(Rho)z -0.6128113E-13 Laplacian 0.5695117E+00 (-1/4)Del**2(Rho)) -0.1423779E+00 Diamond 0.1093298E+01 Metallicity 0.4726385E+01 Ellipticity 0.2949007E-01 Gb(Abramov) 0.2070741E+00 Vb(Abramov) -0.2717703E+00 Hb(Abramov) -0.6469618E-01 Ex_ueg -0.5518062E-01 Ec_ueg -0.7990968E-02 Delta_ex -0.6048550E-01 Delta_ec 0.1470751E-01 Delta_et -0.1946126E+00 Pxc 0.6905374E+01 Qxc -0.4112559E+01 3,-1 177 3 -1 1.810489 -2.783618 -0.575302 Rho 0.1419333E+00 |GRAD(Rho)| 0.1774844E-15 GRAD(Rho)x 0.1009528E-15 GRAD(Rho)y 0.3121825E-16 GRAD(Rho)z 0.1425997E-15 Laplacian 0.5991208E+00 (-1/4)Del**2(Rho)) -0.1497802E+00 Diamond 0.1139324E+01 Metallicity 0.4441938E+01 Ellipticity 0.9048664E-02 Gb(Abramov) 0.2107392E+00 Vb(Abramov) -0.2716981E+00 Hb(Abramov) -0.6095898E-01 Ex_ueg -0.5468027E-01 Ec_ueg -0.7929143E-02 Delta_ex -0.6350909E-01 Delta_ec 0.1547090E-01 Delta_et -0.2044481E+00 Pxc 0.6896113E+01 Qxc -0.4105068E+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 99 121 164 159 176 165 119 160 175 157 163 173 83 139 140 124 169 80 137 123 171 141 118 151 68 155 177 162 128 149 144 101 147 148 146 100 138 58 67 59 63 135 54 55 156 168 110 56 69 106 113 170 174 103 109 105 166 107 117 104 97 133 172 154 94 131 134 129 95 132 161 130 142 167 153 75 1 1 1 1 1 1 2 2 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 13 14 15 16 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 2.456041 1.928673 1.932990 1.937760 1.941143 1.722310 2.465943 1.931800 1.927007 1.943053 1.936771 1.722139 2.504154 1.932563 1.940820 1.944388 1.953916 1.711735 2.466541 1.930916 1.927469 1.941011 1.939210 1.722112 2.467965 1.930464 1.933245 1.936789 1.938693 1.722093 2.454843 1.936453 1.931462 1.939397 1.931985 1.722680 2.469331 1.930188 1.923351 1.943853 1.940356 1.722372 2.471063 1.926847 1.927322 1.941443 1.942377 1.722059 2.470360 1.931667 1.931111 1.937904 1.936416 1.722256 2.471361 1.932073 1.931684 1.936197 1.937557 1.722040 2.467894 1.925472 1.929210 1.942225 1.942831 1.722188 2.454108 1.930361 1.927677 1.940960 1.940578 1.722678 1.557357 1.556440 1.552453 1.556485 2.457078 1.929097 1.933365 1.938392 1.941779 1.722312 2.466963 1.932175 1.927385 1.943694 1.937403 1.722141 2.505088 1.933112 1.941361 1.945213 1.954751 1.711744 2.467562 1.931341 1.927842 1.941688 1.939842 1.722117 2.468976 1.930840 1.933619 1.937419 1.939330 1.722094 2.455906 1.936876 1.931838 1.940022 1.932600 1.722685 2.470340 1.930551 1.923813 1.944488 1.940992 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20:59:47 Nodes: 1 Procs: 1 Mar24-2024 20:59:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar24-2024 20:59:50 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -17.02522646 -17.02653346 -17.02750619 -17.02776548 -17.02827941 -17.02933370 -17.02985440 -17.03037593 -17.03049894 -17.03059731 -17.03063142 -17.03065634 -17.03066539 -17.03068059 GEOMETRY CONVERGED