ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 22:54:10 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 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 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 22:54:11 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 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 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 0 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 22:54:12 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 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 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 0 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 22:54:13 Molybdenum (TZP, 3d 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 1.42 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 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 0 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr26-2024 22:54:13 Nodes: 1 Procs: 1 Apr26-2024 22:54:14 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 22:54:16 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2325.590361000001 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-3 -3.394604 2.258640 0.001253 Rho 0.3189824E+03 3,-3 33 3 -3 1.467227 1.385226 3.437160 Rho 0.3189811E+03 3,-3 34 3 -3 1.547646 -1.285278 -3.479591 Rho 0.3189103E+03 3,-3 35 3 -3 -1.460546 3.497216 1.333021 Rho 0.3190752E+03 3,-3 36 3 -3 -1.794302 -3.655395 -1.635964 Rho 0.3192649E+03 3,-3 37 3 -3 -1.815849 -3.667725 1.682817 Rho 0.3194125E+03 3,-3 38 3 -3 -1.460915 3.475984 -1.350974 Rho 0.3190114E+03 3,-3 39 3 -3 1.537116 -1.284306 3.454390 Rho 0.3189181E+03 3,-3 40 3 -3 1.480459 1.383774 -3.437931 Rho 0.3189182E+03 3,-3 41 3 -3 -0.194314 -0.005119 5.250257 Rho 0.3192818E+03 3,-3 42 3 -3 3.929314 -2.663311 -2.548773 Rho 0.3192226E+03 3,-3 43 3 -3 -0.190775 0.006771 -5.264501 Rho 0.3192803E+03 3,-3 44 3 -3 0.228468 5.335931 -0.011376 Rho 0.3193833E+03 3,-3 45 3 -3 3.910680 -2.654837 2.520995 Rho 0.3192248E+03 3,-3 46 3 -3 3.757060 2.867170 -2.552148 Rho 0.3192639E+03 3,-3 47 3 -3 -3.744839 2.521882 -2.794439 Rho 0.3192512E+03 3,-3 48 3 -3 -3.889010 -2.300357 2.808711 Rho 0.3193611E+03 3,-3 49 3 -3 -3.847191 -2.286823 -2.788326 Rho 0.3192216E+03 3,-3 50 3 -3 -3.754355 2.559548 2.824505 Rho 0.3193782E+03 3,-3 51 3 -3 3.762745 2.873088 2.564249 Rho 0.3193940E+03 3,-3 52 3 +3 1.135284 1.488011 0.024890 Rho 0.3990953E-02 |GRAD(Rho)| 0.4846698E-16 GRAD(Rho)x -0.3283194E-16 GRAD(Rho)y 0.1100637E-16 GRAD(Rho)z 0.3391124E-16 Laplacian 0.1606733E-01 (-1/4)Del**2(Rho)) -0.4016833E-02 Diamond 0.9616884E-04 Metallicity 0.4306560E+00 Ellipticity -0.1348922E+00 Gb(Abramov) 0.2966201E-02 Vb(Abramov) -0.1915569E-02 Hb(Abramov) 0.1050632E-02 Ex_ueg -0.4675420E-03 Ec_ueg -0.1037512E-03 Delta_ex -0.5388941E-03 Delta_ec 0.1014905E-03 Delta_et -0.6816054E-03 Pxc 0.4506375E+01 Qxc -0.5309798E+01 3,+3 53 3 -1 -1.723796 1.514172 0.853078 Rho 0.3547825E-01 |GRAD(Rho)| 0.9454600E-16 GRAD(Rho)x -0.6452316E-16 GRAD(Rho)y 0.1512833E-16 GRAD(Rho)z 0.6743028E-16 Laplacian 0.1425018E+00 (-1/4)Del**2(Rho)) -0.3562545E-01 Diamond 0.4639292E-01 Metallicity 0.1852379E+01 Ellipticity 0.1087723E-01 Gb(Abramov) 0.3474894E-01 Vb(Abramov) -0.3387243E-01 Hb(Abramov) 0.8765096E-03 Ex_ueg -0.8609965E-02 Ec_ueg -0.1629492E-02 Delta_ex -0.1084447E-01 Delta_ec 0.4387719E-02 Delta_et -0.4221375E-01 Pxc 0.5283834E+01 Qxc -0.2471551E+01 3,-1 54 3 -1 -1.703337 1.508422 -0.840913 Rho 0.4343361E-01 |GRAD(Rho)| 0.2569687E-13 GRAD(Rho)x -0.1739129E-13 GRAD(Rho)y 0.4391236E-14 GRAD(Rho)z -0.1840080E-13 Laplacian 0.1698322E+00 (-1/4)Del**2(Rho)) -0.4245804E-01 Diamond 0.7048374E-01 Metallicity 0.2177558E+01 Ellipticity 0.2330705E-01 Gb(Abramov) 0.4371450E-01 Vb(Abramov) -0.4497096E-01 Hb(Abramov) -0.1256462E-02 Ex_ueg -0.1127595E-01 Ec_ueg -0.2055259E-02 Delta_ex -0.1346309E-01 Delta_ec 0.5008720E-02 Delta_et -0.5087965E-01 Pxc 0.5486386E+01 Qxc -0.2687930E+01 3,-1 55 3 -1 -1.721399 -1.640823 -0.848370 Rho 0.5405310E-01 |GRAD(Rho)| 0.1082847E-13 GRAD(Rho)x 0.5815167E-14 GRAD(Rho)y -0.5217221E-14 GRAD(Rho)z -0.7498017E-14 Laplacian 0.2172323E+00 (-1/4)Del**2(Rho)) -0.5430807E-01 Diamond 0.1244150E+00 Metallicity 0.2451262E+01 Ellipticity 0.1006671E-01 Gb(Abramov) 0.5839260E-01 Vb(Abramov) -0.6247713E-01 Hb(Abramov) -0.4084530E-02 Ex_ueg -0.1509428E-01 Ec_ueg -0.2640109E-02 Delta_ex -0.1831343E-01 Delta_ec 0.6606503E-02 Delta_et -0.7113620E-01 Pxc 0.5717295E+01 Qxc -0.2772031E+01 3,-1 56 3 +1 -1.759782 0.006687 -2.452295 Rho 0.1159476E-01 |GRAD(Rho)| 0.1587652E-14 GRAD(Rho)x 0.1130813E-14 GRAD(Rho)y 0.7110883E-15 GRAD(Rho)z -0.8580528E-15 Laplacian 0.5650334E-01 (-1/4)Del**2(Rho)) -0.1412583E-01 Diamond 0.2172361E-02 Metallicity 0.7243947E+00 Ellipticity -0.1283631E+01 Gb(Abramov) 0.1112267E-01 Vb(Abramov) -0.8119505E-02 Hb(Abramov) 0.3003165E-02 Ex_ueg -0.1938209E-02 Ec_ueg -0.4408941E-03 Delta_ex -0.2756128E-02 Delta_ec 0.7401265E-03 Delta_et -0.5497952E-02 Pxc 0.4396088E+01 Qxc -0.3723861E+01 3,+1 57 3 +1 -1.727104 -0.018069 -0.750079 Rho 0.9881631E-02 |GRAD(Rho)| 0.5429188E-15 GRAD(Rho)x -0.2723340E-15 GRAD(Rho)y 0.3942253E-15 GRAD(Rho)z -0.2553066E-15 Laplacian 0.4196921E-01 (-1/4)Del**2(Rho)) -0.1049230E-01 Diamond 0.1448377E-02 Metallicity 0.7471310E+00 Ellipticity -0.1481023E+01 Gb(Abramov) 0.8301389E-02 Vb(Abramov) -0.6110476E-02 Hb(Abramov) 0.2190913E-02 Ex_ueg -0.1566114E-02 Ec_ueg -0.3626826E-03 Delta_ex -0.2020400E-02 Delta_ec 0.6513167E-03 Delta_et -0.4565791E-02 Pxc 0.4318138E+01 Qxc -0.3102024E+01 3,+1 58 3 +1 -1.767051 -0.037165 0.757434 Rho 0.8462426E-02 |GRAD(Rho)| 0.2864876E-15 GRAD(Rho)x -0.1123713E-15 GRAD(Rho)y 0.2199086E-15 GRAD(Rho)z 0.1452173E-15 Laplacian 0.3517689E-01 (-1/4)Del**2(Rho)) -0.8794222E-02 Diamond 0.1046003E-02 Metallicity 0.6884101E+00 Ellipticity -0.1515277E+01 Gb(Abramov) 0.6871820E-02 Vb(Abramov) -0.4949417E-02 Hb(Abramov) 0.1922402E-02 Ex_ueg -0.1273635E-02 Ec_ueg -0.2988289E-03 Delta_ex -0.1658061E-02 Delta_ec 0.5978113E-03 Delta_et -0.3985157E-02 Pxc 0.4262087E+01 Qxc -0.2773553E+01 3,+1 59 3 +1 -1.280416 2.271260 0.724241 Rho 0.2194824E-01 |GRAD(Rho)| 0.5659569E-16 GRAD(Rho)x -0.2235946E-16 GRAD(Rho)y 0.4265398E-16 GRAD(Rho)z 0.2972817E-16 Laplacian 0.8605928E-01 (-1/4)Del**2(Rho)) -0.2151482E-01 Diamond 0.1029402E-01 Metallicity 0.1377679E+01 Ellipticity -0.5110364E+01 Gb(Abramov) 0.1928330E-01 Vb(Abramov) -0.1705178E-01 Hb(Abramov) 0.2231519E-02 Ex_ueg -0.4538558E-02 Ec_ueg -0.9363253E-03 Delta_ex -0.5284522E-02 Delta_ec 0.1664329E-02 Delta_et -0.1416163E-01 Pxc 0.4847202E+01 Qxc -0.3175166E+01 3,+1 60 3 +1 -0.556715 0.774421 -1.578888 Rho 0.8821410E-02 |GRAD(Rho)| 0.3959368E-17 GRAD(Rho)x -0.5407234E-18 GRAD(Rho)y -0.3066625E-17 GRAD(Rho)z -0.2445408E-17 Laplacian 0.3662619E-01 (-1/4)Del**2(Rho)) -0.9156549E-02 Diamond 0.1037287E-02 Metallicity 0.7085732E+00 Ellipticity -0.1410724E+01 Gb(Abramov) 0.7185713E-02 Vb(Abramov) -0.5214878E-02 Hb(Abramov) 0.1970835E-02 Ex_ueg -0.1346178E-02 Ec_ueg -0.3148975E-03 Delta_ex -0.1693870E-02 Delta_ec 0.5329381E-03 Delta_et -0.3652332E-02 Pxc 0.4274972E+01 Qxc -0.3178362E+01 3,+1 61 3 +1 0.553409 1.525421 0.849376 Rho 0.7032058E-02 |GRAD(Rho)| 0.1928086E-13 GRAD(Rho)x 0.6677778E-14 GRAD(Rho)y -0.1775235E-13 GRAD(Rho)z 0.3465953E-14 Laplacian 0.2861446E-01 (-1/4)Del**2(Rho)) -0.7153615E-02 Diamond 0.6508914E-03 Metallicity 0.6215819E+00 Ellipticity -0.1440541E+01 Gb(Abramov) 0.5510170E-02 Vb(Abramov) -0.3866724E-02 Hb(Abramov) 0.1643445E-02 Ex_ueg -0.9950120E-03 Ec_ueg -0.2353820E-03 Delta_ex -0.1283307E-02 Delta_ec 0.4748510E-03 Delta_et -0.3019020E-02 Pxc 0.4227221E+01 Qxc -0.2702547E+01 3,+1 62 3 +3 -2.415055 -0.071923 0.040839 Rho 0.4691344E-02 |GRAD(Rho)| 0.4294927E-14 GRAD(Rho)x 0.3405071E-14 GRAD(Rho)y 0.2610826E-14 GRAD(Rho)z -0.1883520E-15 Laplacian 0.1948711E-01 (-1/4)Del**2(Rho)) -0.4871778E-02 Diamond 0.1939095E-03 Metallicity 0.4649016E+00 Ellipticity -0.7248206E+00 Gb(Abramov) 0.3625335E-02 Vb(Abramov) -0.2378892E-02 Hb(Abramov) 0.1246443E-02 Ex_ueg -0.5800268E-03 Ec_ueg -0.1336543E-03 Delta_ex -0.7314325E-03 Delta_ec 0.2107258E-03 Delta_et -0.1286671E-02 Pxc 0.4339753E+01 Qxc -0.3471015E+01 3,+3 63 3 +3 -1.197309 -0.001887 1.554800 Rho 0.4884058E-02 |GRAD(Rho)| 0.2977528E-14 GRAD(Rho)x -0.2199202E-14 GRAD(Rho)y 0.1999825E-14 GRAD(Rho)z -0.1728776E-15 Laplacian 0.2010519E-01 (-1/4)Del**2(Rho)) -0.5026296E-02 Diamond 0.1482334E-03 Metallicity 0.4818809E+00 Ellipticity -0.3638064E+00 Gb(Abramov) 0.3754544E-02 Vb(Abramov) -0.2482791E-02 Hb(Abramov) 0.1271753E-02 Ex_ueg -0.6120113E-03 Ec_ueg -0.1419267E-03 Delta_ex -0.7018712E-03 Delta_ec 0.1095567E-03 Delta_et -0.8030072E-03 Pxc 0.4312163E+01 Qxc -0.6406466E+01 3,+3 64 3 +1 -0.118541 2.199979 -1.996940 Rho 0.5345457E-02 |GRAD(Rho)| 0.5620204E-13 GRAD(Rho)x 0.6939704E-14 GRAD(Rho)y 0.3420707E-13 GRAD(Rho)z 0.4404981E-13 Laplacian 0.2221354E-01 (-1/4)Del**2(Rho)) -0.5553385E-02 Diamond 0.5686924E-03 Metallicity 0.5069558E+00 Ellipticity -0.3094200E+01 Gb(Abramov) 0.4171477E-02 Vb(Abramov) -0.2789569E-02 Hb(Abramov) 0.1381908E-02 Ex_ueg -0.6902899E-03 Ec_ueg -0.1618094E-03 Delta_ex -0.1120520E-02 Delta_ec 0.7024954E-03 Delta_et -0.3891197E-02 Pxc 0.4266068E+01 Qxc -0.1595057E+01 3,+1 65 3 +1 -1.050668 2.413723 -0.569255 Rho 0.2330563E-01 |GRAD(Rho)| 0.1603846E-16 GRAD(Rho)x 0.4893681E-18 GRAD(Rho)y 0.1286743E-16 GRAD(Rho)z -0.9561479E-17 Laplacian 0.9161147E-01 (-1/4)Del**2(Rho)) -0.2290287E-01 Diamond 0.1124829E-01 Metallicity 0.1430314E+01 Ellipticity -0.3855613E+01 Gb(Abramov) 0.2072829E-01 Vb(Abramov) -0.1855372E-01 Hb(Abramov) 0.2174575E-02 Ex_ueg -0.4916614E-02 Ec_ueg -0.1003789E-02 Delta_ex -0.5636254E-02 Delta_ec 0.1633284E-02 Delta_et -0.1414859E-01 Pxc 0.4898054E+01 Qxc -0.3450873E+01 3,+1 66 3 +1 -0.118225 2.224176 1.997964 Rho 0.5192958E-02 |GRAD(Rho)| 0.3856834E-16 GRAD(Rho)x -0.3674773E-16 GRAD(Rho)y 0.1116286E-16 GRAD(Rho)z -0.3537287E-17 Laplacian 0.2149269E-01 (-1/4)Del**2(Rho)) -0.5373174E-02 Diamond 0.5360044E-03 Metallicity 0.4992833E+00 Ellipticity -0.3159732E+01 Gb(Abramov) 0.4029238E-02 Vb(Abramov) -0.2685303E-02 Hb(Abramov) 0.1343935E-02 Ex_ueg -0.6641582E-03 Ec_ueg -0.1552260E-03 Delta_ex -0.1084060E-02 Delta_ec 0.6903707E-03 Delta_et -0.3786687E-02 Pxc 0.4278652E+01 Qxc -0.1570258E+01 3,+1 67 3 +3 0.029963 1.618513 -1.624590 Rho 0.4359090E-02 |GRAD(Rho)| 0.4938785E-17 GRAD(Rho)x 0.2770704E-17 GRAD(Rho)y -0.3682026E-17 GRAD(Rho)z 0.1776928E-17 Laplacian 0.1817199E-01 (-1/4)Del**2(Rho)) -0.4542998E-02 Diamond 0.1447944E-03 Metallicity 0.4410999E+00 Ellipticity -0.3297623E+00 Gb(Abramov) 0.3362651E-02 Vb(Abramov) -0.2182305E-02 Hb(Abramov) 0.1180347E-02 Ex_ueg -0.5259117E-03 Ec_ueg -0.1194369E-03 Delta_ex -0.6486339E-03 Delta_ec 0.1588884E-03 Delta_et -0.9972758E-03 Pxc 0.4403258E+01 Qxc -0.4082325E+01 3,+3 68 3 -1 -2.827526 0.912836 1.687648 Rho 0.1888253E+00 |GRAD(Rho)| 0.9703037E-13 GRAD(Rho)x 0.8591584E-14 GRAD(Rho)y 0.9473536E-13 GRAD(Rho)z 0.1913865E-13 Laplacian 0.7589000E+00 (-1/4)Del**2(Rho)) -0.1897250E+00 Diamond 0.1982400E+01 Metallicity 0.5643246E+01 Ellipticity 0.3084632E-01 Gb(Abramov) 0.3049275E+00 Vb(Abramov) -0.4201299E+00 Hb(Abramov) -0.1152025E+00 Ex_ueg -0.8000774E-01 Ec_ueg -0.1097371E-01 Delta_ex -0.8598518E-01 Delta_ec 0.1755423E-01 Delta_et -0.2382253E+00 Pxc 0.7290859E+01 Qxc -0.4898260E+01 3,-1 69 3 -1 -0.502274 2.393113 -0.001922 Rho 0.3325086E-01 |GRAD(Rho)| 0.1334823E-15 GRAD(Rho)x -0.4177884E-17 GRAD(Rho)y 0.1230314E-15 GRAD(Rho)z -0.5160755E-16 Laplacian 0.1359304E+00 (-1/4)Del**2(Rho)) -0.3398260E-01 Diamond 0.4045873E-01 Metallicity 0.1743016E+01 Ellipticity 0.1293007E-01 Gb(Abramov) 0.3252710E-01 Vb(Abramov) -0.3107160E-01 Hb(Abramov) 0.1455498E-02 Ex_ueg -0.7896880E-02 Ec_ueg -0.1512477E-02 Delta_ex -0.1017802E-01 Delta_ec 0.4178645E-02 Delta_et -0.3948854E-01 Pxc 0.5221156E+01 Qxc -0.2435721E+01 3,-1 70 3 +3 0.036798 1.620081 1.612169 Rho 0.4142217E-02 |GRAD(Rho)| 0.1023320E-14 GRAD(Rho)x 0.4205512E-15 GRAD(Rho)y -0.9235110E-15 GRAD(Rho)z -0.1320938E-15 Laplacian 0.1708836E-01 (-1/4)Del**2(Rho)) -0.4272091E-02 Diamond 0.1260106E-03 Metallicity 0.4308249E+00 Ellipticity -0.3522124E+00 Gb(Abramov) 0.3154815E-02 Vb(Abramov) -0.2037538E-02 Hb(Abramov) 0.1117277E-02 Ex_ueg -0.4913175E-03 Ec_ueg -0.1101878E-03 Delta_ex -0.6008036E-03 Delta_ec 0.1471945E-03 Delta_et -0.9160196E-03 Pxc 0.4458912E+01 Qxc -0.4081698E+01 3,+3 71 3 +1 0.534630 1.527249 -0.846861 Rho 0.7519062E-02 |GRAD(Rho)| 0.6961536E-17 GRAD(Rho)x -0.5090729E-17 GRAD(Rho)y 0.3625607E-18 GRAD(Rho)z 0.4734554E-17 Laplacian 0.3107369E-01 (-1/4)Del**2(Rho)) -0.7768423E-02 Diamond 0.7566265E-03 Metallicity 0.6399702E+00 Ellipticity -0.1425385E+01 Gb(Abramov) 0.6007542E-02 Vb(Abramov) -0.4246661E-02 Hb(Abramov) 0.1760881E-02 Ex_ueg -0.1087936E-02 Ec_ueg -0.2568787E-03 Delta_ex -0.1406914E-02 Delta_ec 0.4988830E-03 Delta_et -0.3241632E-02 Pxc 0.4235213E+01 Qxc -0.2820127E+01 3,+1 72 3 -1 -0.179631 -3.375084 -1.578461 Rho 0.4463727E-02 |GRAD(Rho)| 0.2967282E-16 GRAD(Rho)x -0.2965446E-16 GRAD(Rho)y 0.3050023E-18 GRAD(Rho)z -0.9981153E-18 Laplacian 0.1704518E-01 (-1/4)Del**2(Rho)) -0.4261296E-02 Diamond 0.5371851E-03 Metallicity 0.4892237E+00 Ellipticity 0.1428437E+00 Gb(Abramov) 0.3188318E-02 Vb(Abramov) -0.2115341E-02 Hb(Abramov) 0.1072977E-02 Ex_ueg -0.5428108E-03 Ec_ueg -0.1239083E-03 Delta_ex -0.1040890E-02 Delta_ec 0.9145525E-03 Delta_et -0.4645802E-02 Pxc 0.4380747E+01 Qxc -0.1138141E+01 3,-1 73 3 -1 0.573482 3.266772 0.682557 Rho 0.1347792E+00 |GRAD(Rho)| 0.1448542E-15 GRAD(Rho)x 0.1027824E-15 GRAD(Rho)y -0.4555004E-16 GRAD(Rho)z 0.9134403E-16 Laplacian 0.5572219E+00 (-1/4)Del**2(Rho)) -0.1393055E+00 Diamond 0.9832742E+00 Metallicity 0.4381503E+01 Ellipticity 0.1890151E-01 Gb(Abramov) 0.1945982E+00 Vb(Abramov) -0.2498909E+00 Hb(Abramov) -0.5529274E-01 Ex_ueg -0.5103666E-01 Ec_ueg -0.7476404E-02 Delta_ex -0.5818606E-01 Delta_ec 0.1431326E-01 Delta_et -0.1871500E+00 Pxc 0.6826365E+01 Qxc -0.4065185E+01 3,-1 74 3 -1 1.498918 -3.085128 -0.010375 Rho 0.7278763E-02 |GRAD(Rho)| 0.1093921E-14 GRAD(Rho)x 0.7446981E-15 GRAD(Rho)y 0.8006373E-15 GRAD(Rho)z 0.3267391E-16 Laplacian 0.2993782E-01 (-1/4)Del**2(Rho)) -0.7484456E-02 Diamond 0.1491812E-02 Metallicity 0.6292485E+00 Ellipticity 0.7233605E+00 Gb(Abramov) 0.5774568E-02 Vb(Abramov) -0.4064680E-02 Hb(Abramov) 0.1709888E-02 Ex_ueg -0.1041826E-02 Ec_ueg -0.2462579E-03 Delta_ex -0.1791843E-02 Delta_ec 0.1278789E-02 Delta_et -0.7642961E-02 Pxc 0.4230629E+01 Qxc -0.1401204E+01 3,-1 75 3 +1 -0.220066 -2.572708 1.935227 Rho 0.2751360E-02 |GRAD(Rho)| 0.2226970E-17 GRAD(Rho)x 0.1112336E-17 GRAD(Rho)y 0.1098534E-17 GRAD(Rho)z 0.1585978E-17 Laplacian 0.1093372E-01 (-1/4)Del**2(Rho)) -0.2733430E-02 Diamond 0.1017820E-03 Metallicity 0.3404795E+00 Ellipticity -0.1499919E+01 Gb(Abramov) 0.1977400E-02 Vb(Abramov) -0.1221369E-02 Hb(Abramov) 0.7560306E-03 Ex_ueg -0.2847399E-03 Ec_ueg -0.5146642E-04 Delta_ex -0.4610469E-03 Delta_ec 0.2979659E-03 Delta_et -0.1370165E-02 Pxc 0.5532537E+01 Qxc -0.1547315E+01 3,+1 76 3 +1 1.706488 -2.856640 -0.009834 Rho 0.7072758E-02 |GRAD(Rho)| 0.3337633E-17 GRAD(Rho)x 0.6268942E-18 GRAD(Rho)y 0.1054082E-17 GRAD(Rho)z -0.3104144E-17 Laplacian 0.3149961E-01 (-1/4)Del**2(Rho)) -0.7874902E-02 Diamond 0.1051538E-02 Metallicity 0.5701066E+00 Ellipticity -0.2072642E+01 Gb(Abramov) 0.5998190E-02 Vb(Abramov) -0.4121479E-02 Hb(Abramov) 0.1876712E-02 Ex_ueg -0.1002698E-02 Ec_ueg -0.2371744E-03 Delta_ex -0.1607280E-02 Delta_ec 0.8666289E-03 Delta_et -0.5269079E-02 Pxc 0.4227683E+01 Qxc -0.1854635E+01 3,+1 77 3 -1 1.912473 -2.573329 1.654320 Rho 0.2362265E+00 |GRAD(Rho)| 0.4645781E-15 GRAD(Rho)x 0.3834281E-15 GRAD(Rho)y 0.1857238E-15 GRAD(Rho)z 0.1852630E-15 Laplacian 0.9060952E+00 (-1/4)Del**2(Rho)) -0.2265238E+00 Diamond 0.3112271E+01 Metallicity 0.6865207E+01 Ellipticity 0.1353545E-01 Gb(Abramov) 0.4102047E+00 Vb(Abramov) -0.5938855E+00 Hb(Abramov) -0.1836809E+00 Ex_ueg -0.1078508E+00 Ec_ueg -0.1417865E-01 Delta_ex -0.1088501E+00 Delta_ec 0.1980180E-01 Delta_et -0.2727971E+00 Pxc 0.7606559E+01 Qxc -0.5496981E+01 3,-1 78 3 +3 2.328312 0.089711 0.022733 Rho 0.3672626E-02 |GRAD(Rho)| 0.3257080E-15 GRAD(Rho)x -0.3062584E-15 GRAD(Rho)y 0.9329732E-16 GRAD(Rho)z -0.5989214E-16 Laplacian 0.1515646E-01 (-1/4)Del**2(Rho)) -0.3789114E-02 Diamond 0.9932977E-04 Metallicity 0.3974751E+00 Ellipticity -0.2947767E+00 Gb(Abramov) 0.2777089E-02 Vb(Abramov) -0.1765064E-02 Hb(Abramov) 0.1012025E-02 Ex_ueg -0.4184921E-03 Ec_ueg -0.9024546E-04 Delta_ex -0.5229628E-03 Delta_ec 0.1415170E-03 Delta_et -0.8391663E-03 Pxc 0.4637265E+01 Qxc -0.3695407E+01 3,+3 79 3 -1 2.002304 -1.535856 -2.706081 Rho 0.1306633E+00 |GRAD(Rho)| 0.7476276E-13 GRAD(Rho)x 0.4035564E-13 GRAD(Rho)y -0.2683596E-13 GRAD(Rho)z 0.5692735E-13 Laplacian 0.5066755E+00 (-1/4)Del**2(Rho)) -0.1266689E+00 Diamond 0.8821322E+00 Metallicity 0.4575856E+01 Ellipticity 0.2337131E-01 Gb(Abramov) 0.1810490E+00 Vb(Abramov) -0.2354292E+00 Hb(Abramov) -0.5438014E-01 Ex_ueg -0.4896920E-01 Ec_ueg -0.7217429E-02 Delta_ex -0.5276004E-01 Delta_ec 0.1355651E-01 Delta_et -0.1772440E+00 Pxc 0.6784854E+01 Qxc -0.3891858E+01 3,-1 80 3 +1 1.793440 2.540484 0.005001 Rho 0.1228313E-01 |GRAD(Rho)| 0.1846982E-14 GRAD(Rho)x -0.1247054E-14 GRAD(Rho)y -0.4905787E-15 GRAD(Rho)z 0.1271035E-14 Laplacian 0.6151195E-01 (-1/4)Del**2(Rho)) -0.1537799E-01 Diamond 0.2518778E-02 Metallicity 0.7325464E+00 Ellipticity -0.1249036E+01 Gb(Abramov) 0.1212951E-01 Vb(Abramov) -0.8881026E-02 Hb(Abramov) 0.3248481E-02 Ex_ueg -0.2093133E-02 Ec_ueg -0.4726548E-03 Delta_ex -0.3034937E-02 Delta_ec 0.7853554E-03 Delta_et -0.5932420E-02 Pxc 0.4428461E+01 Qxc -0.3864412E+01 3,+1 81 3 +1 1.665358 -0.796734 -0.007790 Rho 0.8430583E-02 |GRAD(Rho)| 0.1709961E-14 GRAD(Rho)x 0.3757178E-15 GRAD(Rho)y -0.8055335E-16 GRAD(Rho)z -0.1666227E-14 Laplacian 0.3607891E-01 (-1/4)Del**2(Rho)) -0.9019727E-02 Diamond 0.9920848E-03 Metallicity 0.6669948E+00 Ellipticity -0.1396356E+01 Gb(Abramov) 0.7015836E-02 Vb(Abramov) -0.5011946E-02 Hb(Abramov) 0.2003890E-02 Ex_ueg -0.1267249E-02 Ec_ueg -0.2974063E-03 Delta_ex -0.1664194E-02 Delta_ec 0.5509705E-03 Delta_et -0.3711255E-02 Pxc 0.4261001E+01 Qxc -0.3020477E+01 3,+1 82 3 -1 -0.203449 -3.393486 1.591870 Rho 0.4275266E-02 |GRAD(Rho)| 0.1546869E-16 GRAD(Rho)x -0.1545493E-16 GRAD(Rho)y -0.1192732E-18 GRAD(Rho)z 0.6413063E-18 Laplacian 0.1645405E-01 (-1/4)Del**2(Rho)) -0.4113513E-02 Diamond 0.5018366E-03 Metallicity 0.4716416E+00 Ellipticity 0.1234417E+00 Gb(Abramov) 0.3065693E-02 Vb(Abramov) -0.2017873E-02 Hb(Abramov) 0.1047820E-02 Ex_ueg -0.5124709E-03 Ec_ueg -0.1158591E-03 Delta_ex -0.1012477E-02 Delta_ec 0.9081602E-03 Delta_et -0.4545205E-02 Pxc 0.4423225E+01 Qxc -0.1114866E+01 3,-1 83 3 -1 1.985501 -1.538919 2.675529 Rho 0.1291633E+00 |GRAD(Rho)| 0.4454565E-13 GRAD(Rho)x -0.4310433E-13 GRAD(Rho)y 0.1033143E-13 GRAD(Rho)z 0.4426486E-14 Laplacian 0.5019674E+00 (-1/4)Del**2(Rho)) -0.1254918E+00 Diamond 0.8624341E+00 Metallicity 0.4530747E+01 Ellipticity 0.2316714E-01 Gb(Abramov) 0.1784232E+00 Vb(Abramov) -0.2313546E+00 Hb(Abramov) -0.5293136E-01 Ex_ueg -0.4822114E-01 Ec_ueg -0.7123332E-02 Delta_ex -0.5213168E-01 Delta_ec 0.1347902E-01 Delta_et -0.1759136E+00 Pxc 0.6769464E+01 Qxc -0.3867618E+01 3,-1 84 3 -1 1.660855 -0.955410 -1.535774 Rho 0.3674130E-01 |GRAD(Rho)| 0.1300194E-12 GRAD(Rho)x 0.5530201E-14 GRAD(Rho)y 0.2515331E-13 GRAD(Rho)z 0.1274432E-12 Laplacian 0.1398587E+00 (-1/4)Del**2(Rho)) -0.3496468E-01 Diamond 0.4637840E-01 Metallicity 0.2000696E+01 Ellipticity 0.3524058E-01 Gb(Abramov) 0.3496874E-01 Vb(Abramov) -0.3497279E-01 Hb(Abramov) -0.4055082E-05 Ex_ueg -0.9021063E-02 Ec_ueg -0.1696293E-02 Delta_ex -0.1064547E-01 Delta_ec 0.4146363E-02 Delta_et -0.4026769E-01 Pxc 0.5318103E+01 Qxc -0.2567425E+01 3,-1 85 3 +1 2.045280 0.039960 2.844105 Rho 0.1210237E-01 |GRAD(Rho)| 0.2974762E-16 GRAD(Rho)x 0.1913009E-16 GRAD(Rho)y 0.2155270E-16 GRAD(Rho)z -0.7378448E-17 Laplacian 0.5689232E-01 (-1/4)Del**2(Rho)) -0.1422308E-01 Diamond 0.2037858E-02 Metallicity 0.7726991E+00 Ellipticity -0.1215392E+01 Gb(Abramov) 0.1131375E-01 Vb(Abramov) -0.8404414E-02 Hb(Abramov) 0.2909333E-02 Ex_ueg -0.2052166E-02 Ec_ueg -0.4642970E-03 Delta_ex -0.2726055E-02 Delta_ec 0.6014698E-03 Delta_et -0.4624193E-02 Pxc 0.4419942E+01 Qxc -0.4532323E+01 3,+1 86 3 +1 2.047567 0.030195 -2.849802 Rho 0.1230084E-01 |GRAD(Rho)| 0.4157902E-16 GRAD(Rho)x -0.2354413E-16 GRAD(Rho)y 0.5437463E-17 GRAD(Rho)z -0.3383671E-16 Laplacian 0.5786695E-01 (-1/4)Del**2(Rho)) -0.1446674E-01 Diamond 0.2087705E-02 Metallicity 0.7805612E+00 Ellipticity -0.1206433E+01 Gb(Abramov) 0.1152652E-01 Vb(Abramov) -0.8586304E-02 Hb(Abramov) 0.2940217E-02 Ex_ueg -0.2097159E-02 Ec_ueg -0.4734744E-03 Delta_ex -0.2776081E-02 Delta_ec 0.5957964E-03 Delta_et -0.4612344E-02 Pxc 0.4429296E+01 Qxc -0.4659445E+01 3,+1 87 3 +1 3.020336 0.085672 0.084646 Rho 0.4567993E-02 |GRAD(Rho)| 0.9347715E-17 GRAD(Rho)x 0.2295372E-18 GRAD(Rho)y 0.9176481E-17 GRAD(Rho)z 0.1766149E-17 Laplacian 0.1849647E-01 (-1/4)Del**2(Rho)) -0.4624118E-02 Diamond 0.4135636E-03 Metallicity 0.4685255E+00 Ellipticity -0.4287352E+01 Gb(Abramov) 0.3443832E-02 Vb(Abramov) -0.2263545E-02 Hb(Abramov) 0.1180287E-02 Ex_ueg -0.5597820E-03 Ec_ueg -0.1283694E-03 Delta_ex -0.9368892E-03 Delta_ec 0.6414436E-03 Delta_et -0.3366159E-02 Pxc 0.4360712E+01 Qxc -0.1460595E+01 3,+1 88 3 +1 1.709368 0.772005 0.024051 Rho 0.6056639E-02 |GRAD(Rho)| 0.8699244E-17 GRAD(Rho)x -0.7668885E-17 GRAD(Rho)y -0.1668555E-17 GRAD(Rho)z 0.3752463E-17 Laplacian 0.2387844E-01 (-1/4)Del**2(Rho)) -0.5969610E-02 Diamond 0.4440812E-03 Metallicity 0.5807555E+00 Ellipticity -0.1416754E+01 Gb(Abramov) 0.4557554E-02 Vb(Abramov) -0.3145498E-02 Hb(Abramov) 0.1412056E-02 Ex_ueg -0.8153810E-03 Ec_ueg -0.1926639E-03 Delta_ex -0.1033712E-02 Delta_ec 0.3968033E-03 Delta_et -0.2422268E-02 Pxc 0.4232143E+01 Qxc -0.2605100E+01 3,+1 89 3 +3 1.830904 0.027450 2.513835 Rho 0.1140070E-01 |GRAD(Rho)| 0.1417803E-15 GRAD(Rho)x -0.1131988E-15 GRAD(Rho)y -0.1462806E-16 GRAD(Rho)z -0.8410535E-16 Laplacian 0.5162923E-01 (-1/4)Del**2(Rho)) -0.1290731E-01 Diamond 0.1001247E-02 Metallicity 0.7707912E+00 Ellipticity -0.4443380E+00 Gb(Abramov) 0.1026301E-01 Vb(Abramov) -0.7618716E-02 Hb(Abramov) 0.2644296E-02 Ex_ueg -0.1895078E-02 Ec_ueg -0.4319744E-03 Delta_ex -0.2216915E-02 Delta_ec 0.1579260E-03 Delta_et -0.1573454E-02 Pxc 0.4387015E+01 Qxc -0.1403769E+02 3,+3 90 3 -1 1.695651 0.811689 -1.549849 Rho 0.2922337E-01 |GRAD(Rho)| 0.2198827E-15 GRAD(Rho)x 0.1982227E-15 GRAD(Rho)y 0.6031266E-16 GRAD(Rho)z -0.7361066E-16 Laplacian 0.1089454E+00 (-1/4)Del**2(Rho)) -0.2723636E-01 Diamond 0.2508955E-01 Metallicity 0.1753698E+01 Ellipticity 0.6951407E-01 Gb(Abramov) 0.2611829E-01 Vb(Abramov) -0.2500023E-01 Hb(Abramov) 0.1118064E-02 Ex_ueg -0.6648017E-02 Ec_ueg -0.1303618E-02 Delta_ex -0.7720425E-02 Delta_ec 0.3017590E-02 Delta_et -0.2752884E-01 Pxc 0.5099668E+01 Qxc -0.2558474E+01 3,-1 91 3 -1 1.991784 1.547850 -2.687726 Rho 0.1355754E+00 |GRAD(Rho)| 0.4407590E-13 GRAD(Rho)x 0.5272692E-14 GRAD(Rho)y -0.3361332E-13 GRAD(Rho)z -0.2801836E-13 Laplacian 0.5366573E+00 (-1/4)Del**2(Rho)) -0.1341643E+00 Diamond 0.9670083E+00 Metallicity 0.4594281E+01 Ellipticity 0.2454447E-01 Gb(Abramov) 0.1921743E+00 Vb(Abramov) -0.2501843E+00 Hb(Abramov) -0.5800999E-01 Ex_ueg -0.5143904E-01 Ec_ueg -0.7526627E-02 Delta_ex -0.5627055E-01 Delta_ec 0.1403595E-01 Delta_et -0.1842347E+00 Pxc 0.6834275E+01 Qxc -0.4009030E+01 3,-1 92 3 +1 -0.651291 -0.877287 1.508932 Rho 0.9265646E-02 |GRAD(Rho)| 0.3604896E-13 GRAD(Rho)x -0.1467880E-13 GRAD(Rho)y -0.3819481E-14 GRAD(Rho)z -0.3270278E-13 Laplacian 0.3973108E-01 (-1/4)Del**2(Rho)) -0.9932770E-02 Diamond 0.1286570E-02 Metallicity 0.7089392E+00 Ellipticity -0.1470114E+01 Gb(Abramov) 0.7795468E-02 Vb(Abramov) -0.5658166E-02 Hb(Abramov) 0.2137302E-02 Ex_ueg -0.1437317E-02 Ec_ueg -0.3348604E-03 Delta_ex -0.1894456E-02 Delta_ec 0.6388656E-03 Delta_et -0.4387660E-02 Pxc 0.4292287E+01 Qxc -0.2965343E+01 3,+1 93 3 -1 3.264983 -2.288444 2.200271 Rho 0.2307022E+00 |GRAD(Rho)| 0.1446532E-12 GRAD(Rho)x -0.1148959E-12 GRAD(Rho)y 0.6726298E-13 GRAD(Rho)z -0.5656120E-13 Laplacian 0.8425043E+00 (-1/4)Del**2(Rho)) -0.2106261E+00 Diamond 0.2848492E+01 Metallicity 0.7097858E+01 Ellipticity 0.1754490E-01 Gb(Abramov) 0.3895830E+00 Vb(Abramov) -0.5685400E+00 Hb(Abramov) -0.1789570E+00 Ex_ueg -0.1045011E+00 Ec_ueg -0.1379875E-01 Delta_ex -0.1007891E+00 Delta_ec 0.1890064E-01 Delta_et -0.2617019E+00 Pxc 0.7573226E+01 Qxc -0.5332577E+01 3,-1 94 3 -1 3.286055 -2.289605 -2.231715 Rho 0.2307554E+00 |GRAD(Rho)| 0.2724932E-13 GRAD(Rho)x 0.2101878E-13 GRAD(Rho)y 0.1561837E-13 GRAD(Rho)z -0.7536777E-14 Laplacian 0.8405628E+00 (-1/4)Del**2(Rho)) -0.2101407E+00 Diamond 0.2844192E+01 Metallicity 0.7116985E+01 Ellipticity 0.1770648E-01 Gb(Abramov) 0.3893551E+00 Vb(Abramov) -0.5685696E+00 Hb(Abramov) -0.1792144E+00 Ex_ueg -0.1045332E+00 Ec_ueg -0.1380240E-01 Delta_ex -0.1005712E+00 Delta_ec 0.1887061E-01 Delta_et -0.2613506E+00 Pxc 0.7573551E+01 Qxc -0.5329514E+01 3,-1 95 3 -1 2.794862 -1.713324 -0.871266 Rho 0.1396673E+00 |GRAD(Rho)| 0.3617761E-12 GRAD(Rho)x -0.1278151E-12 GRAD(Rho)y -0.8919658E-13 GRAD(Rho)z -0.3264800E-12 Laplacian 0.5720030E+00 (-1/4)Del**2(Rho)) -0.1430008E+00 Diamond 0.1073559E+01 Metallicity 0.4529389E+01 Ellipticity 0.8492156E-02 Gb(Abramov) 0.2032848E+00 Vb(Abramov) -0.2635689E+00 Hb(Abramov) -0.6028408E-01 Ex_ueg -0.5351944E-01 Ec_ueg -0.7785392E-02 Delta_ex -0.6046997E-01 Delta_ec 0.1495835E-01 Delta_et -0.1974644E+00 Pxc 0.6874341E+01 Qxc -0.4042556E+01 3,-1 96 3 -1 2.783638 -1.717406 0.844763 Rho 0.1438627E+00 |GRAD(Rho)| 0.4310919E-15 GRAD(Rho)x -0.6673942E-16 GRAD(Rho)y 0.4109804E-17 GRAD(Rho)z -0.4258746E-15 Laplacian 0.5903134E+00 (-1/4)Del**2(Rho)) -0.1475784E+00 Diamond 0.1145910E+01 Metallicity 0.4610813E+01 Ellipticity 0.7298129E-02 Gb(Abramov) 0.2117949E+00 Vb(Abramov) -0.2760115E+00 Hb(Abramov) -0.6421659E-01 Ex_ueg -0.5567360E-01 Ec_ueg -0.8051803E-02 Delta_ex -0.6283442E-01 Delta_ec 0.1528683E-01 Delta_et -0.2026226E+00 Pxc 0.6914427E+01 Qxc -0.4110364E+01 3,-1 97 3 +1 -3.004213 -0.336157 0.032053 Rho 0.5064328E-02 |GRAD(Rho)| 0.4097956E-17 GRAD(Rho)x 0.1166252E-17 GRAD(Rho)y -0.3393259E-17 GRAD(Rho)z 0.1979620E-17 Laplacian 0.2056045E-01 (-1/4)Del**2(Rho)) -0.5140111E-02 Diamond 0.3543939E-03 Metallicity 0.5005534E+00 Ellipticity -0.1459917E+01 Gb(Abramov) 0.3855558E-02 Vb(Abramov) -0.2571004E-02 Hb(Abramov) 0.1284554E-02 Ex_ueg -0.6423142E-03 Ec_ueg -0.1496822E-03 Delta_ex -0.9030053E-03 Delta_ec 0.4300301E-03 Delta_et -0.2432177E-02 Pxc 0.4291187E+01 Qxc -0.2099865E+01 3,+1 98 3 -1 -2.799575 -0.935369 1.673470 Rho 0.6189268E-01 |GRAD(Rho)| 0.1065492E-15 GRAD(Rho)x -0.7764052E-16 GRAD(Rho)y 0.7278300E-16 GRAD(Rho)z 0.5227093E-17 Laplacian 0.2599123E+00 (-1/4)Del**2(Rho)) -0.6497807E-01 Diamond 0.1810964E+00 Metallicity 0.2567548E+01 Ellipticity 0.5199827E-02 Gb(Abramov) 0.7112443E-01 Vb(Abramov) -0.7727079E-01 Hb(Abramov) -0.6146361E-02 Ex_ueg -0.1808163E-01 Ec_ueg -0.3082099E-02 Delta_ex -0.2274636E-01 Delta_ec 0.8021091E-02 Delta_et -0.8948019E-01 Pxc 0.5866660E+01 Qxc -0.2835819E+01 3,-1 99 3 -1 -1.754816 -1.661375 0.832603 Rho 0.4092583E-01 |GRAD(Rho)| 0.3131214E-12 GRAD(Rho)x 0.2888671E-12 GRAD(Rho)y 0.1150539E-12 GRAD(Rho)z -0.3692496E-13 Laplacian 0.1652218E+00 (-1/4)Del**2(Rho)) -0.4130546E-01 Diamond 0.6659743E-01 Metallicity 0.2027099E+01 Ellipticity 0.4748011E-01 Gb(Abramov) 0.4149201E-01 Vb(Abramov) -0.4167857E-01 Hb(Abramov) -0.1865544E-03 Ex_ueg -0.1041634E-01 Ec_ueg -0.1919796E-02 Delta_ex -0.1309371E-01 Delta_ec 0.5211846E-02 Delta_et -0.5215354E-01 Pxc 0.5425751E+01 Qxc -0.2512298E+01 3,-1 100 3 -1 -2.792073 0.887550 -1.643017 Rho 0.1904787E+00 |GRAD(Rho)| 0.8340135E-11 GRAD(Rho)x -0.1988140E-11 GRAD(Rho)y -0.8082723E-11 GRAD(Rho)z 0.5241515E-12 Laplacian 0.7778051E+00 (-1/4)Del**2(Rho)) -0.1944513E+00 Diamond 0.2069619E+01 Metallicity 0.5586673E+01 Ellipticity 0.2250980E-01 Gb(Abramov) 0.3106901E+00 Vb(Abramov) -0.4269290E+00 Hb(Abramov) -0.1162388E+00 Ex_ueg -0.8094321E-01 Ec_ueg -0.1108339E-01 Delta_ex -0.8844230E-01 Delta_ec 0.1816150E-01 Delta_et -0.2473543E+00 Pxc 0.7303108E+01 Qxc -0.4869768E+01 3,-1 101 3 +1 -2.134105 1.702695 0.181294 Rho 0.2325118E-01 |GRAD(Rho)| 0.2429344E-14 GRAD(Rho)x 0.6175304E-15 GRAD(Rho)y 0.1947590E-14 GRAD(Rho)z 0.1314253E-14 Laplacian 0.8927952E-01 (-1/4)Del**2(Rho)) -0.2231988E-01 Diamond 0.1037006E-01 Metallicity 0.1461963E+01 Ellipticity -0.3220444E+01 Gb(Abramov) 0.2031839E-01 Vb(Abramov) -0.1831691E-01 Hb(Abramov) 0.2001486E-02 Ex_ueg -0.4901306E-02 Ec_ueg -0.1001073E-02 Delta_ex -0.5422796E-02 Delta_ec 0.1472798E-02 Delta_et -0.1278268E-01 Pxc 0.4896050E+01 Qxc -0.3681968E+01 3,+1 102 3 +3 -1.148410 -0.004119 -1.589618 Rho 0.5275594E-02 |GRAD(Rho)| 0.5237826E-17 GRAD(Rho)x -0.2798480E-17 GRAD(Rho)y -0.4259412E-17 GRAD(Rho)z 0.1208613E-17 Laplacian 0.2193479E-01 (-1/4)Del**2(Rho)) -0.5483697E-02 Diamond 0.1715868E-03 Metallicity 0.5022640E+00 Ellipticity -0.2644349E+00 Gb(Abramov) 0.4114842E-02 Vb(Abramov) -0.2745987E-02 Hb(Abramov) 0.1368855E-02 Ex_ueg -0.6782871E-03 Ec_ueg -0.1587919E-03 Delta_ex -0.7750341E-03 Delta_ec 0.1069960E-03 Delta_et -0.8250249E-03 Pxc 0.4271546E+01 Qxc -0.7243579E+01 3,+3 103 3 +1 -0.574060 0.792420 1.565823 Rho 0.8360820E-02 |GRAD(Rho)| 0.2615528E-13 GRAD(Rho)x -0.2408341E-13 GRAD(Rho)y 0.1017961E-13 GRAD(Rho)z 0.6808381E-15 Laplacian 0.3450997E-01 (-1/4)Del**2(Rho)) -0.8627493E-02 Diamond 0.9249510E-03 Metallicity 0.6877279E+00 Ellipticity -0.1415321E+01 Gb(Abramov) 0.6740557E-02 Vb(Abramov) -0.4853620E-02 Hb(Abramov) 0.1886936E-02 Ex_ueg -0.1253286E-02 Ec_ueg -0.2942913E-03 Delta_ex -0.1582303E-02 Delta_ec 0.5158833E-03 Delta_et -0.3475733E-02 Pxc 0.4258659E+01 Qxc -0.3067172E+01 3,+1 104 3 -1 -1.802404 1.566063 -2.358547 Rho 0.1367071E+00 |GRAD(Rho)| 0.1592322E-15 GRAD(Rho)x 0.5548405E-16 GRAD(Rho)y -0.7864532E-16 GRAD(Rho)z -0.1268517E-15 Laplacian 0.5683663E+00 (-1/4)Del**2(Rho)) -0.1420916E+00 Diamond 0.1038202E+01 Metallicity 0.4398485E+01 Ellipticity 0.8952415E-02 Gb(Abramov) 0.1988923E+00 Vb(Abramov) -0.2556931E+00 Hb(Abramov) -0.5680076E-01 Ex_ueg -0.5201234E-01 Ec_ueg -0.7598085E-02 Delta_ex -0.5975812E-01 Delta_ec 0.1491154E-01 Delta_et -0.1961343E+00 Pxc 0.6845454E+01 Qxc -0.4007508E+01 3,-1 105 3 -1 -0.559695 -0.680132 -3.203069 Rho 0.1467975E+00 |GRAD(Rho)| 0.2194138E-13 GRAD(Rho)x -0.2178952E-13 GRAD(Rho)y 0.1273910E-14 GRAD(Rho)z -0.2240050E-14 Laplacian 0.6228254E+00 (-1/4)Del**2(Rho)) -0.1557063E+00 Diamond 0.1225141E+01 Metallicity 0.4519716E+01 Ellipticity 0.1880809E-01 Gb(Abramov) 0.2210956E+00 Vb(Abramov) -0.2864849E+00 Hb(Abramov) -0.6538928E-01 Ex_ueg -0.5719303E-01 Ec_ueg -0.8238821E-02 Delta_ex -0.6648382E-01 Delta_ec 0.1580083E-01 Delta_et -0.2095083E+00 Pxc 0.6941895E+01 Qxc -0.4207615E+01 3,-1 106 3 +1 -0.596311 -0.849451 -1.546670 Rho 0.9802730E-02 |GRAD(Rho)| 0.1737729E-13 GRAD(Rho)x 0.1609254E-13 GRAD(Rho)y 0.2674213E-14 GRAD(Rho)z 0.5987403E-14 Laplacian 0.4221895E-01 (-1/4)Del**2(Rho)) -0.1055474E-01 Diamond 0.1428558E-02 Metallicity 0.7328539E+00 Ellipticity -0.1450820E+01 Gb(Abramov) 0.8325673E-02 Vb(Abramov) -0.6096607E-02 Hb(Abramov) 0.2229066E-02 Ex_ueg -0.1549463E-02 Ec_ueg -0.3591099E-03 Delta_ex -0.2023555E-02 Delta_ec 0.6466804E-03 Delta_et -0.4529798E-02 Pxc 0.4314732E+01 Qxc -0.3129142E+01 3,+1 107 3 -1 -0.475749 -0.588430 -0.020509 Rho 0.2049938E+00 |GRAD(Rho)| 0.5156219E-12 GRAD(Rho)x -0.4455650E-12 GRAD(Rho)y 0.2594719E-12 GRAD(Rho)z 0.3483790E-14 Laplacian 0.7448482E+00 (-1/4)Del**2(Rho)) -0.1862120E+00 Diamond 0.2394900E+01 Metallicity 0.6593457E+01 Ellipticity 0.3490416E-01 Gb(Abramov) 0.3287716E+00 Vb(Abramov) -0.4713311E+00 Hb(Abramov) -0.1425595E+00 Ex_ueg -0.8927008E-01 Ec_ueg -0.1205290E-01 Delta_ex -0.8781129E-01 Delta_ec 0.1974297E-01 Delta_et -0.2802478E+00 Pxc 0.7406526E+01 Qxc -0.4447724E+01 3,-1 108 3 -1 -0.584103 -0.675840 3.191168 Rho 0.1507255E+00 |GRAD(Rho)| 0.1500146E-15 GRAD(Rho)x 0.5740851E-16 GRAD(Rho)y -0.1363384E-15 GRAD(Rho)z -0.2490954E-16 Laplacian 0.6395103E+00 (-1/4)Del**2(Rho)) -0.1598776E+00 Diamond 0.1296424E+01 Metallicity 0.4599850E+01 Ellipticity 0.2086562E-01 Gb(Abramov) 0.2291538E+00 Vb(Abramov) -0.2984301E+00 Hb(Abramov) -0.6927628E-01 Ex_ueg -0.5924260E-01 Ec_ueg -0.8489974E-02 Delta_ex -0.6868887E-01 Delta_ec 0.1608135E-01 Delta_et -0.2139274E+00 Pxc 0.6977948E+01 Qxc -0.4271336E+01 3,-1 109 3 +1 -2.192271 -1.748209 0.221583 Rho 0.2754781E-01 |GRAD(Rho)| 0.5364158E-16 GRAD(Rho)x 0.5253056E-16 GRAD(Rho)y 0.7674986E-17 GRAD(Rho)z -0.7684599E-17 Laplacian 0.1123198E+00 (-1/4)Del**2(Rho)) -0.2807996E-01 Diamond 0.1657260E-01 Metallicity 0.1541589E+01 Ellipticity -0.3330643E+01 Gb(Abramov) 0.2593460E-01 Vb(Abramov) -0.2378924E-01 Hb(Abramov) 0.2145361E-02 Ex_ueg -0.6144708E-02 Ec_ueg -0.1217829E-02 Delta_ex -0.7148888E-02 Delta_ec 0.1868811E-02 Delta_et -0.1689532E-01 Pxc 0.5045626E+01 Qxc -0.3825367E+01 3,+1 110 3 +3 -0.173654 -2.301032 -1.494971 Rho 0.2725066E-02 |GRAD(Rho)| 0.2197582E-17 GRAD(Rho)x -0.7213717E-19 GRAD(Rho)y -0.2195955E-17 GRAD(Rho)z 0.4409588E-19 Laplacian 0.1089254E-01 (-1/4)Del**2(Rho)) -0.2723136E-02 Diamond 0.7298615E-04 Metallicity 0.3363403E+00 Ellipticity -0.5624752E+00 Gb(Abramov) 0.1968074E-02 Vb(Abramov) -0.1213012E-02 Hb(Abramov) 0.7550619E-03 Ex_ueg -0.2811174E-03 Ec_ueg -0.5036643E-04 Delta_ex -0.4019383E-03 Delta_ec 0.1958664E-03 Delta_et -0.9464782E-03 Pxc 0.5581443E+01 Qxc -0.2052104E+01 3,+3 111 3 -1 -0.050066 0.007572 -4.473910 Rho 0.2382953E+00 |GRAD(Rho)| 0.1417368E-14 GRAD(Rho)x 0.2470084E-15 GRAD(Rho)y 0.2372931E-16 GRAD(Rho)z 0.1395477E-14 Laplacian 0.8789245E+00 (-1/4)Del**2(Rho)) -0.2197311E+00 Diamond 0.3073465E+01 Metallicity 0.7181039E+01 Ellipticity 0.1127150E-02 Gb(Abramov) 0.4094704E+00 Vb(Abramov) -0.5992097E+00 Hb(Abramov) -0.1897393E+00 Ex_ueg -0.1091119E+00 Ec_ueg -0.1432135E-01 Delta_ex -0.1059489E+00 Delta_ec 0.1937579E-01 Delta_et -0.2679653E+00 Pxc 0.7618831E+01 Qxc -0.5468108E+01 3,-1 112 3 -1 0.568440 3.255677 -0.677368 Rho 0.1282295E+00 |GRAD(Rho)| 0.2226634E-13 GRAD(Rho)x -0.1426441E-13 GRAD(Rho)y 0.1117049E-13 GRAD(Rho)z 0.1294360E-13 Laplacian 0.5347378E+00 (-1/4)Del**2(Rho)) -0.1336845E+00 Diamond 0.8891021E+00 Metallicity 0.4201965E+01 Ellipticity 0.1419495E-01 Gb(Abramov) 0.1827459E+00 Vb(Abramov) -0.2318073E+00 Hb(Abramov) -0.4906141E-01 Ex_ueg -0.4775687E-01 Ec_ueg -0.7064825E-02 Delta_ex -0.5517263E-01 Delta_ec 0.1390880E-01 Delta_et -0.1804525E+00 Pxc 0.6759809E+01 Qxc -0.3966742E+01 3,-1 113 3 +3 1.844035 0.012102 -2.542611 Rho 0.1171115E-01 |GRAD(Rho)| 0.1300465E-16 GRAD(Rho)x -0.4496097E-17 GRAD(Rho)y -0.9022825E-17 GRAD(Rho)z -0.8215514E-17 Laplacian 0.5325317E-01 (-1/4)Del**2(Rho)) -0.1331329E-01 Diamond 0.1082336E-02 Metallicity 0.7815084E+00 Ellipticity -0.4979278E+00 Gb(Abramov) 0.1060960E-01 Vb(Abramov) -0.7905914E-02 Hb(Abramov) 0.2703689E-02 Ex_ueg -0.1964194E-02 Ec_ueg -0.4462512E-03 Delta_ex -0.2307903E-02 Delta_ec 0.1681509E-03 Delta_et -0.1660463E-02 Pxc 0.4401545E+01 Qxc -0.1372519E+02 3,+3 114 3 +1 1.341796 -0.813795 -2.217517 Rho 0.2559493E-01 |GRAD(Rho)| 0.3657331E-15 GRAD(Rho)x 0.2323871E-16 GRAD(Rho)y -0.3455981E-15 GRAD(Rho)z 0.1173995E-15 Laplacian 0.9950961E-01 (-1/4)Del**2(Rho)) -0.2487740E-01 Diamond 0.1316472E-01 Metallicity 0.1539352E+01 Ellipticity -0.3438153E+01 Gb(Abramov) 0.2296745E-01 Vb(Abramov) -0.2105749E-01 Hb(Abramov) 0.1909954E-02 Ex_ueg -0.5570877E-02 Ec_ueg -0.1118714E-02 Delta_ex -0.6198691E-02 Delta_ec 0.1636297E-02 Delta_et -0.1453832E-01 Pxc 0.4979714E+01 Qxc -0.3788244E+01 3,+1 115 3 -1 1.637206 -0.970994 1.510081 Rho 0.3824228E-01 |GRAD(Rho)| 0.3963794E-16 GRAD(Rho)x -0.1233365E-16 GRAD(Rho)y -0.7634520E-17 GRAD(Rho)z 0.3688850E-16 Laplacian 0.1457404E+00 (-1/4)Del**2(Rho)) -0.3643511E-01 Diamond 0.5122316E-01 Metallicity 0.2052451E+01 Ellipticity 0.3782079E-01 Gb(Abramov) 0.3675362E-01 Vb(Abramov) -0.3707213E-01 Hb(Abramov) -0.3185112E-03 Ex_ueg -0.9515760E-02 Ec_ueg -0.1776085E-02 Delta_ex -0.1121505E-01 Delta_ec 0.4340565E-02 Delta_et -0.4261595E-01 Pxc 0.5357715E+01 Qxc -0.2583777E+01 3,-1 116 3 +1 1.323294 -0.825801 2.199813 Rho 0.2627920E-01 |GRAD(Rho)| 0.3531950E-16 GRAD(Rho)x 0.1411497E-16 GRAD(Rho)y -0.2212548E-16 GRAD(Rho)z 0.2363679E-16 Laplacian 0.1031816E+00 (-1/4)Del**2(Rho)) -0.2579539E-01 Diamond 0.1425319E-01 Metallicity 0.1551308E+01 Ellipticity -0.3555016E+01 Gb(Abramov) 0.2386636E-01 Vb(Abramov) -0.2193733E-01 Hb(Abramov) 0.1929032E-02 Ex_ueg -0.5770338E-02 Ec_ueg -0.1153333E-02 Delta_ex -0.6483088E-02 Delta_ec 0.1714326E-02 Delta_et -0.1532491E-01 Pxc 0.5003184E+01 Qxc -0.3781714E+01 3,+1 117 3 -1 0.876921 -0.676185 -3.489375 Rho 0.1459171E+00 |GRAD(Rho)| 0.1233556E-14 GRAD(Rho)x -0.9559004E-15 GRAD(Rho)y -0.7767089E-15 GRAD(Rho)z 0.6810823E-16 Laplacian 0.5854282E+00 (-1/4)Del**2(Rho)) -0.1463570E+00 Diamond 0.1144022E+01 Metallicity 0.4760473E+01 Ellipticity 0.5775524E-01 Gb(Abramov) 0.2136928E+00 Vb(Abramov) -0.2810286E+00 Hb(Abramov) -0.6733577E-01 Ex_ueg -0.5673619E-01 Ec_ueg -0.8182667E-02 Delta_ex -0.6240729E-01 Delta_ec 0.1488772E-01 Delta_et -0.1972628E+00 Pxc 0.6933704E+01 Qxc -0.4191862E+01 3,-1 118 3 +1 2.112101 -0.191207 -1.671461 Rho 0.2149037E-01 |GRAD(Rho)| 0.4195740E-16 GRAD(Rho)x -0.2928783E-17 GRAD(Rho)y 0.4136877E-16 GRAD(Rho)z -0.6361648E-17 Laplacian 0.8300466E-01 (-1/4)Del**2(Rho)) -0.2075116E-01 Diamond 0.9207539E-02 Metallicity 0.1379062E+01 Ellipticity -0.3783219E+01 Gb(Abramov) 0.1860363E-01 Vb(Abramov) -0.1645610E-01 Hb(Abramov) 0.2147530E-02 Ex_ueg -0.4412760E-02 Ec_ueg -0.9136872E-03 Delta_ex -0.5010992E-02 Delta_ec 0.1501303E-02 Delta_et -0.1273488E-01 Pxc 0.4829617E+01 Qxc -0.3337761E+01 3,+1 119 3 +1 2.074621 0.091139 1.655053 Rho 0.2047909E-01 |GRAD(Rho)| 0.2653908E-16 GRAD(Rho)x 0.2409673E-16 GRAD(Rho)y 0.6629838E-17 GRAD(Rho)z 0.8928358E-17 Laplacian 0.8139411E-01 (-1/4)Del**2(Rho)) -0.2034853E-01 Diamond 0.9848163E-02 Metallicity 0.1297791E+01 Ellipticity -0.4189895E+02 Gb(Abramov) 0.1796704E-01 Vb(Abramov) -0.1558555E-01 Hb(Abramov) 0.2381488E-02 Ex_ueg -0.4138084E-02 Ec_ueg -0.8639044E-03 Delta_ex -0.5050290E-02 Delta_ec 0.1825675E-02 Delta_et -0.1517781E-01 Pxc 0.4789979E+01 Qxc -0.2766259E+01 3,+1 120 3 +1 1.349141 0.756451 -2.168346 Rho 0.2226748E-01 |GRAD(Rho)| 0.3606407E-16 GRAD(Rho)x 0.2381216E-16 GRAD(Rho)y 0.1163483E-16 GRAD(Rho)z 0.2445872E-16 Laplacian 0.8264379E-01 (-1/4)Del**2(Rho)) -0.2066095E-01 Diamond 0.8542801E-02 Metallicity 0.1469562E+01 Ellipticity -0.2776206E+01 Gb(Abramov) 0.1883439E-01 Vb(Abramov) -0.1700783E-01 Hb(Abramov) 0.1826557E-02 Ex_ueg -0.4626790E-02 Ec_ueg -0.9521451E-03 Delta_ex -0.4898605E-02 Delta_ec 0.1249737E-02 Delta_et -0.1076816E-01 Pxc 0.4859333E+01 Qxc -0.3919707E+01 3,+1 121 3 -1 1.695034 0.801152 1.565464 Rho 0.2460187E-01 |GRAD(Rho)| 0.6676626E-15 GRAD(Rho)x 0.5312450E-15 GRAD(Rho)y 0.3467981E-15 GRAD(Rho)z 0.2080463E-15 Laplacian 0.9726217E-01 (-1/4)Del**2(Rho)) -0.2431554E-01 Diamond 0.1836334E-01 Metallicity 0.1474402E+01 Ellipticity 0.8832173E-01 Gb(Abramov) 0.2218551E-01 Vb(Abramov) -0.2005548E-01 Hb(Abramov) 0.2130032E-02 Ex_ueg -0.5284564E-02 Ec_ueg -0.1068690E-02 Delta_ex -0.6680227E-02 Delta_ec 0.2823330E-02 Delta_et -0.2453907E-01 Pxc 0.4944900E+01 Qxc -0.2366081E+01 3,-1 122 3 -1 3.009947 0.863702 -1.989661 Rho 0.1793599E+00 |GRAD(Rho)| 0.7674964E-15 GRAD(Rho)x -0.4312143E-15 GRAD(Rho)y 0.6265062E-15 GRAD(Rho)z 0.1029314E-15 Laplacian 0.7062219E+00 (-1/4)Del**2(Rho)) -0.1765555E+00 Diamond 0.1762112E+01 Metallicity 0.5566058E+01 Ellipticity 0.4329773E-01 Gb(Abramov) 0.2814900E+00 Vb(Abramov) -0.3864245E+00 Hb(Abramov) -0.1049345E+00 Ex_ueg -0.7470546E-01 Ec_ueg -0.1034878E-01 Delta_ex -0.7919704E-01 Delta_ec 0.1695382E-01 Delta_et -0.2302125E+00 Pxc 0.7218772E+01 Qxc -0.4671339E+01 3,-1 123 3 -1 3.003114 0.879900 1.995379 Rho 0.1728488E+00 |GRAD(Rho)| 0.9138865E-14 GRAD(Rho)x -0.2544365E-14 GRAD(Rho)y 0.8771250E-14 GRAD(Rho)z -0.3320098E-15 Laplacian 0.6747724E+00 (-1/4)Del**2(Rho)) -0.1686931E+00 Diamond 0.1598749E+01 Metallicity 0.5477300E+01 Ellipticity 0.5537954E-01 Gb(Abramov) 0.2664592E+00 Vb(Abramov) -0.3642252E+00 Hb(Abramov) -0.9776607E-01 Ex_ueg -0.7111156E-01 Ec_ueg -0.9921874E-02 Delta_ex -0.7487301E-01 Delta_ec 0.1618374E-01 Delta_et -0.2183979E+00 Pxc 0.7167150E+01 Qxc -0.4626435E+01 3,-1 124 3 -1 2.841900 1.761192 -0.871269 Rho 0.1448090E+00 |GRAD(Rho)| 0.9460966E-13 GRAD(Rho)x -0.7280018E-13 GRAD(Rho)y 0.5108338E-13 GRAD(Rho)z -0.3227399E-13 Laplacian 0.6032496E+00 (-1/4)Del**2(Rho)) -0.1508124E+00 Diamond 0.1174058E+01 Metallicity 0.4561513E+01 Ellipticity 0.1806719E-01 Gb(Abramov) 0.2151971E+00 Vb(Abramov) -0.2795817E+00 Hb(Abramov) -0.6438465E-01 Ex_ueg -0.5616244E-01 Ec_ueg -0.8112050E-02 Delta_ex -0.6424925E-01 Delta_ec 0.1548082E-01 Delta_et -0.2051416E+00 Pxc 0.6923335E+01 Qxc -0.4150248E+01 3,-1 125 3 -1 -1.820680 -1.648251 2.339193 Rho 0.1181142E+00 |GRAD(Rho)| 0.7717678E-15 GRAD(Rho)x -0.5625925E-15 GRAD(Rho)y -0.1227419E-15 GRAD(Rho)z -0.5138576E-15 Laplacian 0.4890705E+00 (-1/4)Del**2(Rho)) -0.1222676E+00 Diamond 0.7441435E+00 Metallicity 0.4006315E+01 Ellipticity 0.1489980E-01 Gb(Abramov) 0.1631522E+00 Vb(Abramov) -0.2040368E+00 Hb(Abramov) -0.4088457E-01 Ex_ueg -0.4280105E-01 Ec_ueg -0.6434849E-02 Delta_ex -0.4957757E-01 Delta_ec 0.1315310E-01 Delta_et -0.1686071E+00 Pxc 0.6651447E+01 Qxc -0.3769267E+01 3,-1 126 3 -1 -1.965233 2.692979 -1.504728 Rho 0.1229280E+00 |GRAD(Rho)| 0.8703049E-13 GRAD(Rho)x -0.2478560E-13 GRAD(Rho)y 0.6068022E-13 GRAD(Rho)z 0.5725287E-13 Laplacian 0.4923548E+00 (-1/4)Del**2(Rho)) -0.1230887E+00 Diamond 0.7850722E+00 Metallicity 0.4253562E+01 Ellipticity 0.1991739E-01 Gb(Abramov) 0.1693201E+00 Vb(Abramov) -0.2155514E+00 Hb(Abramov) -0.4623135E-01 Ex_ueg -0.4514254E-01 Ec_ueg -0.6733772E-02 Delta_ex -0.5037635E-01 Delta_ec 0.1309683E-01 Delta_et -0.1690184E+00 Pxc 0.6703901E+01 Qxc -0.3846453E+01 3,-1 127 3 +1 -2.008564 2.922835 0.006230 Rho 0.1236963E-01 |GRAD(Rho)| 0.2279937E-14 GRAD(Rho)x 0.8638364E-15 GRAD(Rho)y -0.2107919E-14 GRAD(Rho)z -0.9262047E-16 Laplacian 0.5801567E-01 (-1/4)Del**2(Rho)) -0.1450392E-01 Diamond 0.2081944E-02 Metallicity 0.7858307E+00 Ellipticity -0.1196655E+01 Gb(Abramov) 0.1156888E-01 Vb(Abramov) -0.8633846E-02 Hb(Abramov) 0.2935035E-02 Ex_ueg -0.2112811E-02 Ec_ueg -0.4766591E-03 Delta_ex -0.2779882E-02 Delta_ec 0.5838154E-03 Delta_et -0.4538106E-02 Pxc 0.4432540E+01 Qxc -0.4761576E+01 3,+1 128 3 +3 -1.798179 2.593972 0.017587 Rho 0.1167853E-01 |GRAD(Rho)| 0.6827542E-16 GRAD(Rho)x 0.6096100E-16 GRAD(Rho)y 0.3900142E-17 GRAD(Rho)z 0.3049719E-16 Laplacian 0.5237956E-01 (-1/4)Del**2(Rho)) -0.1309489E-01 Diamond 0.1010107E-02 Metallicity 0.7908572E+00 Ellipticity -0.5007242E+00 Gb(Abramov) 0.1045596E-01 Vb(Abramov) -0.7817026E-02 Hb(Abramov) 0.2638932E-02 Ex_ueg -0.1956902E-02 Ec_ueg -0.4447491E-03 Delta_ex -0.2253090E-02 Delta_ec 0.1384786E-03 Delta_et -0.1453457E-02 Pxc 0.4400014E+01 Qxc -0.1627030E+02 3,+3 129 3 -1 -1.983460 2.696866 1.516079 Rho 0.1047872E+00 |GRAD(Rho)| 0.1192207E-14 GRAD(Rho)x 0.8087132E-15 GRAD(Rho)y 0.8674431E-15 GRAD(Rho)z 0.1219914E-15 Laplacian 0.4168879E+00 (-1/4)Del**2(Rho)) -0.1042220E+00 Diamond 0.5436157E+00 Metallicity 0.3849826E+01 Ellipticity 0.1789136E-01 Gb(Abramov) 0.1363541E+00 Vb(Abramov) -0.1684861E+00 Hb(Abramov) -0.3213208E-01 Ex_ueg -0.3648627E-01 Ec_ueg -0.5615946E-02 Delta_ex -0.4099343E-01 Delta_ec 0.1136265E-01 Delta_et -0.1422563E+00 Pxc 0.6496906E+01 Qxc -0.3607735E+01 3,-1 130 3 +1 -0.194192 -2.566627 -1.921238 Rho 0.2963999E-02 |GRAD(Rho)| 0.3800117E-17 GRAD(Rho)x -0.3363534E-17 GRAD(Rho)y 0.1755786E-17 GRAD(Rho)z -0.2115214E-18 Laplacian 0.1170324E-01 (-1/4)Del**2(Rho)) -0.2925810E-02 Diamond 0.1183428E-03 Metallicity 0.3601116E+00 Ellipticity -0.1518160E+01 Gb(Abramov) 0.2126143E-02 Vb(Abramov) -0.1326476E-02 Hb(Abramov) 0.7996670E-03 Ex_ueg -0.3144530E-03 Ec_ueg -0.6037591E-04 Delta_ex -0.4965820E-03 Delta_ec 0.3121446E-03 Delta_et -0.1471013E-02 Pxc 0.5208253E+01 Qxc -0.1590872E+01 3,+1 131 3 +1 -0.225500 -2.568721 -1.186985 Rho 0.2827700E-02 |GRAD(Rho)| 0.5232188E-17 GRAD(Rho)x 0.3833833E-17 GRAD(Rho)y -0.3033370E-17 GRAD(Rho)z -0.1864452E-17 Laplacian 0.1119785E-01 (-1/4)Del**2(Rho)) -0.2799464E-02 Diamond 0.9325281E-04 Metallicity 0.3479638E+00 Ellipticity -0.1309978E+01 Gb(Abramov) 0.2028661E-02 Vb(Abramov) -0.1257858E-02 Hb(Abramov) 0.7708025E-03 Ex_ueg -0.2953223E-03 Ec_ueg -0.5466218E-04 Delta_ex -0.4450367E-03 Delta_ec 0.2524009E-03 Delta_et -0.1195507E-02 Pxc 0.5402681E+01 Qxc -0.1763214E+01 3,+1 132 3 -1 -0.819991 3.525062 -0.705391 Rho 0.1401430E+00 |GRAD(Rho)| 0.1790033E-14 GRAD(Rho)x -0.5255670E-16 GRAD(Rho)y 0.1665826E-14 GRAD(Rho)z -0.6530556E-15 Laplacian 0.5488338E+00 (-1/4)Del**2(Rho)) -0.1372084E+00 Diamond 0.1016071E+01 Metallicity 0.4747426E+01 Ellipticity 0.4641309E-01 Gb(Abramov) 0.2000368E+00 Vb(Abramov) -0.2628651E+00 Hb(Abramov) -0.6282835E-01 Ex_ueg -0.5376262E-01 Ec_ueg -0.7815544E-02 Delta_ex -0.5786984E-01 Delta_ec 0.1398588E-01 Delta_et -0.1839921E+00 Pxc 0.6878936E+01 Qxc -0.4137734E+01 3,-1 133 3 -1 -0.821731 3.537022 0.705001 Rho 0.1500160E+00 |GRAD(Rho)| 0.1228180E-14 GRAD(Rho)x 0.1617630E-15 GRAD(Rho)y 0.1217364E-14 GRAD(Rho)z -0.1683224E-16 Laplacian 0.5868746E+00 (-1/4)Del**2(Rho)) -0.1467187E+00 Diamond 0.1178188E+01 Metallicity 0.4973137E+01 Ellipticity 0.5433040E-01 Gb(Abramov) 0.2194211E+00 Vb(Abramov) -0.2921236E+00 Hb(Abramov) -0.7270245E-01 Ex_ueg -0.5887106E-01 Ec_ueg -0.8444538E-02 Delta_ex -0.6291425E-01 Delta_ec 0.1468963E-01 Delta_et -0.1950887E+00 Pxc 0.6971495E+01 Qxc -0.4282903E+01 3,-1 134 3 +1 -0.269901 -2.588643 1.165866 Rho 0.2594414E-02 |GRAD(Rho)| 0.1494710E-17 GRAD(Rho)x -0.8016612E-18 GRAD(Rho)y -0.8336553E-18 GRAD(Rho)z -0.9468457E-18 Laplacian 0.1031459E-01 (-1/4)Del**2(Rho)) -0.2578647E-02 Diamond 0.7556009E-04 Metallicity 0.3272604E+00 Ellipticity -0.1278490E+01 Gb(Abramov) 0.1859746E-02 Vb(Abramov) -0.1140845E-02 Hb(Abramov) 0.7189008E-03 Ex_ueg -0.2632919E-03 Ec_ueg -0.4490651E-04 Delta_ex -0.4008867E-03 Delta_ec 0.2286561E-03 Delta_et -0.1058180E-02 Pxc 0.5863111E+01 Qxc -0.1753230E+01 3,+1 135 3 +1 -1.791014 0.032358 2.465795 Rho 0.1137378E-01 |GRAD(Rho)| 0.7969570E-17 GRAD(Rho)x 0.4121653E-17 GRAD(Rho)y -0.6785866E-17 GRAD(Rho)z 0.6914010E-18 Laplacian 0.5522870E-01 (-1/4)Del**2(Rho)) -0.1380717E-01 Diamond 0.2097112E-02 Metallicity 0.7177227E+00 Ellipticity -0.1294830E+01 Gb(Abramov) 0.1085640E-01 Vb(Abramov) -0.7905633E-02 Hb(Abramov) 0.2950771E-02 Ex_ueg -0.1889115E-02 Ec_ueg -0.4307384E-03 Delta_ex -0.2689385E-02 Delta_ec 0.7395071E-03 Delta_et -0.5454795E-02 Pxc 0.4385759E+01 Qxc -0.3636726E+01 3,+1 136 3 -1 0.469887 -0.041138 -2.358325 Rho 0.4724645E-01 |GRAD(Rho)| 0.1114237E-15 GRAD(Rho)x -0.6359439E-16 GRAD(Rho)y 0.1804471E-17 GRAD(Rho)z -0.9147532E-16 Laplacian 0.1865911E+00 (-1/4)Del**2(Rho)) -0.4664777E-01 Diamond 0.8719646E-01 Metallicity 0.2280365E+01 Ellipticity 0.1137979E-01 Gb(Abramov) 0.4882750E-01 Vb(Abramov) -0.5100723E-01 Hb(Abramov) -0.2179732E-02 Ex_ueg -0.1261471E-01 Ec_ueg -0.2263243E-02 Delta_ex -0.1512400E-01 Delta_ec 0.5530383E-02 Delta_et -0.5744933E-01 Pxc 0.5573733E+01 Qxc -0.2734712E+01 3,-1 137 3 +3 -0.223610 -2.327133 1.475400 Rho 0.2497370E-02 |GRAD(Rho)| 0.1217299E-13 GRAD(Rho)x -0.1200519E-13 GRAD(Rho)y 0.1559183E-14 GRAD(Rho)z 0.1275199E-14 Laplacian 0.1002822E-01 (-1/4)Del**2(Rho)) -0.2507056E-02 Diamond 0.5825564E-04 Metallicity 0.3158837E+00 Ellipticity -0.4979953E+00 Gb(Abramov) 0.1803360E-02 Vb(Abramov) -0.1099665E-02 Hb(Abramov) 0.7036956E-03 Ex_ueg -0.2502431E-03 Ec_ueg -0.4085720E-04 Delta_ex -0.3598010E-03 Delta_ec 0.1740135E-03 Delta_et -0.8247259E-03 Pxc 0.6124824E+01 Qxc -0.2067661E+01 3,+3 138 3 -1 1.991424 1.553211 2.691455 Rho 0.1298985E+00 |GRAD(Rho)| 0.1830947E-12 GRAD(Rho)x 0.1283056E-12 GRAD(Rho)y -0.1140706E-12 GRAD(Rho)z -0.6363374E-13 Laplacian 0.5101292E+00 (-1/4)Del**2(Rho)) -0.1275323E+00 Diamond 0.8635885E+00 Metallicity 0.4500629E+01 Ellipticity 0.3711278E-01 Gb(Abramov) 0.1806841E+00 Vb(Abramov) -0.2338360E+00 Hb(Abramov) -0.5315183E-01 Ex_ueg -0.4858743E-01 Ec_ueg -0.7169433E-02 Delta_ex -0.5282383E-01 Delta_ec 0.1327331E-01 Delta_et -0.1726519E+00 Pxc 0.6777025E+01 Qxc -0.3979702E+01 3,-1 139 3 -1 1.831859 2.382272 -1.557980 Rho 0.1396501E+00 |GRAD(Rho)| 0.3039089E-15 GRAD(Rho)x -0.1894101E-15 GRAD(Rho)y 0.2352312E-15 GRAD(Rho)z -0.3392198E-16 Laplacian 0.5868000E+00 (-1/4)Del**2(Rho)) -0.1467000E+00 Diamond 0.1088526E+01 Metallicity 0.4414264E+01 Ellipticity 0.1147506E-01 Gb(Abramov) 0.2057288E+00 Vb(Abramov) -0.2647575E+00 Hb(Abramov) -0.5902875E-01 Ex_ueg -0.5351061E-01 Ec_ueg -0.7784297E-02 Delta_ex -0.6189387E-01 Delta_ec 0.1509845E-01 Delta_et -0.1988030E+00 Pxc 0.6874174E+01 Qxc -0.4099352E+01 3,-1 140 3 -1 1.845599 2.391882 1.566951 Rho 0.1260285E+00 |GRAD(Rho)| 0.4222268E-16 GRAD(Rho)x -0.1195333E-16 GRAD(Rho)y 0.3111660E-16 GRAD(Rho)z -0.2591582E-16 Laplacian 0.5286178E+00 (-1/4)Del**2(Rho)) -0.1321545E+00 Diamond 0.8574337E+00 Metallicity 0.4129705E+01 Ellipticity 0.1031517E-01 Gb(Abramov) 0.1790628E+00 Vb(Abramov) -0.2259711E+00 Hb(Abramov) -0.4690833E-01 Ex_ueg -0.4666700E-01 Ec_ueg -0.6927149E-02 Delta_ex -0.5427139E-01 Delta_ec 0.1373047E-01 Delta_et -0.1774998E+00 Pxc 0.6736826E+01 Qxc -0.3952625E+01 3,-1 141 3 -1 -1.820837 1.580109 2.375773 Rho 0.1304548E+00 |GRAD(Rho)| 0.4933901E-15 GRAD(Rho)x 0.4433709E-15 GRAD(Rho)y -0.6621426E-16 GRAD(Rho)z 0.2060865E-15 Laplacian 0.5380208E+00 (-1/4)Del**2(Rho)) -0.1345052E+00 Diamond 0.9178298E+00 Metallicity 0.4297815E+01 Ellipticity 0.9645816E-02 Gb(Abramov) 0.1860165E+00 Vb(Abramov) -0.2375279E+00 Hb(Abramov) -0.5151133E-01 Ex_ueg -0.4886507E-01 Ec_ueg -0.7204344E-02 Delta_ex -0.5579758E-01 Delta_ec 0.1403471E-01 Delta_et -0.1827753E+00 Pxc 0.6782724E+01 Qxc -0.3975683E+01 3,-1 142 3 -1 -0.558977 0.710471 -3.216448 Rho 0.1446106E+00 |GRAD(Rho)| 0.2722655E-12 GRAD(Rho)x -0.1193062E-12 GRAD(Rho)y -0.2431176E-12 GRAD(Rho)z 0.2807801E-13 Laplacian 0.6045414E+00 (-1/4)Del**2(Rho)) -0.1511353E+00 Diamond 0.1170479E+01 Metallicity 0.4541377E+01 Ellipticity 0.1166290E-01 Gb(Abramov) 0.2151507E+00 Vb(Abramov) -0.2791660E+00 Hb(Abramov) -0.6401532E-01 Ex_ueg -0.5605987E-01 Ec_ueg -0.8099415E-02 Delta_ex -0.6432177E-01 Delta_ec 0.1544156E-01 Delta_et -0.2044112E+00 Pxc 0.6921471E+01 Qxc -0.4165496E+01 3,-1 143 3 -1 -0.425112 0.448068 -0.012469 Rho 0.1972730E+00 |GRAD(Rho)| 0.3167778E-15 GRAD(Rho)x 0.8807300E-16 GRAD(Rho)y -0.3042169E-15 GRAD(Rho)z 0.6587640E-17 Laplacian 0.6612715E+00 (-1/4)Del**2(Rho)) -0.1653179E+00 Diamond 0.2052780E+01 Metallicity 0.6966472E+01 Ellipticity 0.3961218E-02 Gb(Abramov) 0.3021590E+00 Vb(Abramov) -0.4390001E+00 Hb(Abramov) -0.1368411E+00 Ex_ueg -0.8481552E-01 Ec_ueg -0.1153573E-01 Delta_ex -0.7737066E-01 Delta_ec 0.1797880E-01 Delta_et -0.2548469E+00 Pxc 0.7352417E+01 Qxc -0.4303438E+01 3,-1 144 3 -1 -0.565345 0.718531 3.211345 Rho 0.1435290E+00 |GRAD(Rho)| 0.1321149E-11 GRAD(Rho)x -0.8231068E-12 GRAD(Rho)y 0.9556989E-12 GRAD(Rho)z -0.3931548E-12 Laplacian 0.5963165E+00 (-1/4)Del**2(Rho)) -0.1490791E+00 Diamond 0.1146374E+01 Metallicity 0.4546764E+01 Ellipticity 0.1196319E-01 Gb(Abramov) 0.2123573E+00 Vb(Abramov) -0.2756355E+00 Hb(Abramov) -0.6327821E-01 Ex_ueg -0.5550148E-01 Ec_ueg -0.8030571E-02 Delta_ex -0.6335332E-01 Delta_ec 0.1530082E-01 Delta_et -0.2024165E+00 Pxc 0.6911274E+01 Qxc -0.4140517E+01 3,-1 145 3 +1 1.399624 0.774968 2.106490 Rho 0.2011702E-01 |GRAD(Rho)| 0.2658182E-13 GRAD(Rho)x -0.6017852E-14 GRAD(Rho)y -0.2434248E-13 GRAD(Rho)z -0.8821676E-14 Laplacian 0.7544244E-01 (-1/4)Del**2(Rho)) -0.1886061E-01 Diamond 0.6520562E-02 Metallicity 0.1359159E+01 Ellipticity -0.2259591E+01 Gb(Abramov) 0.1684617E-01 Vb(Abramov) -0.1483172E-01 Hb(Abramov) 0.2014444E-02 Ex_ueg -0.4040823E-02 Ec_ueg -0.8461547E-03 Delta_ex -0.4313690E-02 Delta_ec 0.1073602E-02 Delta_et -0.9054827E-02 Pxc 0.4775514E+01 Qxc -0.4017962E+01 3,+1 146 3 -1 0.826841 0.731734 3.459823 Rho 0.1401832E+00 |GRAD(Rho)| 0.7482845E-15 GRAD(Rho)x -0.4124441E-15 GRAD(Rho)y 0.5218672E-15 GRAD(Rho)z -0.3427451E-15 Laplacian 0.5561661E+00 (-1/4)Del**2(Rho)) -0.1390415E+00 Diamond 0.1040969E+01 Metallicity 0.4687074E+01 Ellipticity 0.3670312E-01 Gb(Abramov) 0.2013107E+00 Vb(Abramov) -0.2635798E+00 Hb(Abramov) -0.6226915E-01 Ex_ueg -0.5378315E-01 Ec_ueg -0.7818088E-02 Delta_ex -0.5876666E-01 Delta_ec 0.1438525E-01 Delta_et -0.1897055E+00 Pxc 0.6879323E+01 Qxc -0.4085203E+01 3,-1 147 3 -1 0.450539 -0.056533 2.343083 Rho 0.4774745E-01 |GRAD(Rho)| 0.3289303E-15 GRAD(Rho)x -0.4512653E-16 GRAD(Rho)y 0.1335824E-16 GRAD(Rho)z 0.3255461E-15 Laplacian 0.1891069E+00 (-1/4)Del**2(Rho)) -0.4727672E-01 Diamond 0.8980721E-01 Metallicity 0.2289933E+01 Ellipticity 0.1185539E-01 Gb(Abramov) 0.4956124E-01 Vb(Abramov) -0.5184575E-01 Hb(Abramov) -0.2284515E-02 Ex_ueg -0.1279338E-01 Ec_ueg -0.2290745E-02 Delta_ex -0.1537585E-01 Delta_ec 0.5617491E-02 Delta_et -0.5851939E-01 Pxc 0.5584813E+01 Qxc -0.2737138E+01 3,-1 148 3 -1 0.841466 0.735083 -3.467805 Rho 0.1428324E+00 |GRAD(Rho)| 0.3463388E-12 GRAD(Rho)x -0.1428182E-12 GRAD(Rho)y -0.3120811E-12 GRAD(Rho)z -0.4646404E-13 Laplacian 0.5671780E+00 (-1/4)Del**2(Rho)) -0.1417945E+00 Diamond 0.1083965E+01 Metallicity 0.4741747E+01 Ellipticity 0.4004967E-01 Gb(Abramov) 0.2065886E+00 Vb(Abramov) -0.2713827E+00 Hb(Abramov) -0.6479411E-01 Ex_ueg -0.5514262E-01 Ec_ueg -0.7986275E-02 Delta_ex -0.6018564E-01 Delta_ec 0.1456979E-01 Delta_et -0.1926061E+00 Pxc 0.6904673E+01 Qxc -0.4130852E+01 3,-1 149 3 -1 2.954931 -0.815771 1.962010 Rho 0.7985231E-01 |GRAD(Rho)| 0.2008357E-14 GRAD(Rho)x -0.7287380E-15 GRAD(Rho)y -0.1860715E-14 GRAD(Rho)z -0.2004525E-15 Laplacian 0.3223492E+00 (-1/4)Del**2(Rho)) -0.8058731E-01 Diamond 0.3033200E+00 Metallicity 0.3165427E+01 Ellipticity 0.5067308E-03 Gb(Abramov) 0.9624041E-01 Vb(Abramov) -0.1118935E+00 Hb(Abramov) -0.1565310E-01 Ex_ueg -0.2539618E-01 Ec_ueg -0.4121718E-02 Delta_ex -0.2978525E-01 Delta_ec 0.9343354E-02 Delta_et -0.1105971E+00 Pxc 0.6161551E+01 Qxc -0.3187854E+01 3,-1 150 3 -1 2.971956 -0.815829 -1.982381 Rho 0.8485306E-01 |GRAD(Rho)| 0.1565582E-15 GRAD(Rho)x -0.1078053E-15 GRAD(Rho)y -0.1092300E-15 GRAD(Rho)z 0.3094042E-16 Laplacian 0.3446707E+00 (-1/4)Del**2(Rho)) -0.8616767E-01 Diamond 0.3486840E+00 Metallicity 0.3275830E+01 Ellipticity 0.1199765E-02 Gb(Abramov) 0.1044902E+00 Vb(Abramov) -0.1228128E+00 Hb(Abramov) -0.1832255E-01 Ex_ueg -0.2753859E-01 Ec_ueg -0.4417040E-02 Delta_ex -0.3228214E-01 Delta_ec 0.9849367E-02 Delta_et -0.1181373E+00 Pxc 0.6234626E+01 Qxc -0.3277585E+01 3,-1 151 3 -1 -2.753616 -0.925988 -1.640832 Rho 0.7593593E-01 |GRAD(Rho)| 0.6470341E-16 GRAD(Rho)x -0.1002718E-16 GRAD(Rho)y 0.6023421E-16 GRAD(Rho)z -0.2139690E-16 Laplacian 0.3180667E+00 (-1/4)Del**2(Rho)) -0.7951668E-01 Diamond 0.2836903E+00 Metallicity 0.2950125E+01 Ellipticity 0.5018511E-02 Gb(Abramov) 0.9210848E-01 Vb(Abramov) -0.1047003E+00 Hb(Abramov) -0.1259180E-01 Ex_ueg -0.2374915E-01 Ec_ueg -0.3892112E-02 Delta_ex -0.2910993E-01 Delta_ec 0.9407638E-02 Delta_et -0.1101732E+00 Pxc 0.6101867E+01 Qxc -0.3094286E+01 3,-1 152 3 -1 -0.059133 -0.002812 4.458431 Rho 0.2379485E+00 |GRAD(Rho)| 0.5336857E-15 GRAD(Rho)x -0.3031565E-15 GRAD(Rho)y -0.3294111E-17 GRAD(Rho)z 0.4392103E-15 Laplacian 0.8789530E+00 (-1/4)Del**2(Rho)) -0.2197383E+00 Diamond 0.3069777E+01 Metallicity 0.7163401E+01 Ellipticity 0.1550883E-02 Gb(Abramov) 0.4088377E+00 Vb(Abramov) -0.5979372E+00 Hb(Abramov) -0.1890995E+00 Ex_ueg -0.1089003E+00 Ec_ueg -0.1429742E-01 Delta_ex -0.1059206E+00 Delta_ec 0.1940009E-01 Delta_et -0.2683553E+00 Pxc 0.7616782E+01 Qxc -0.5459800E+01 3,-1 153 3 -1 0.279828 -0.101997 0.503284 Rho 0.1972208E+00 |GRAD(Rho)| 0.3773248E-15 GRAD(Rho)x 0.1038275E-15 GRAD(Rho)y 0.3778147E-17 GRAD(Rho)z 0.3627390E-15 Laplacian 0.6576790E+00 (-1/4)Del**2(Rho)) -0.1644198E+00 Diamond 0.2059749E+01 Metallicity 0.7001432E+01 Ellipticity 0.9262394E-02 Gb(Abramov) 0.3014754E+00 Vb(Abramov) -0.4385311E+00 Hb(Abramov) -0.1370557E+00 Ex_ueg -0.8478556E-01 Ec_ueg -0.1153224E-01 Delta_ex -0.7707508E-01 Delta_ec 0.1811410E-01 Delta_et -0.2574364E+00 Pxc 0.7352043E+01 Qxc -0.4254978E+01 3,-1 154 3 -1 0.289032 -0.091924 -0.522325 Rho 0.1954920E+00 |GRAD(Rho)| 0.1590788E-11 GRAD(Rho)x -0.8935260E-12 GRAD(Rho)y 0.2822094E-14 GRAD(Rho)z 0.1316134E-11 Laplacian 0.6421804E+00 (-1/4)Del**2(Rho)) -0.1605451E+00 Diamond 0.1989183E+01 Metallicity 0.7065960E+01 Ellipticity 0.4557281E-02 Gb(Abramov) 0.2960976E+00 Vb(Abramov) -0.4316501E+00 Hb(Abramov) -0.1355525E+00 Ex_ueg -0.8379609E-01 Ec_ueg -0.1141691E-01 Delta_ex -0.7508909E-01 Delta_ec 0.1771565E-01 Delta_et -0.2514481E+00 Pxc 0.7339648E+01 Qxc -0.4238573E+01 3,-1 155 3 -1 -3.220531 -2.172884 -2.286528 Rho 0.2290521E+00 |GRAD(Rho)| 0.4257785E-15 GRAD(Rho)x -0.1924459E-16 GRAD(Rho)y -0.1157657E-15 GRAD(Rho)z -0.4092863E-15 Laplacian 0.8518909E+00 (-1/4)Del**2(Rho)) -0.2129727E+00 Diamond 0.2845341E+01 Metallicity 0.6936167E+01 Ellipticity 0.2232061E-01 Gb(Abramov) 0.3881842E+00 Vb(Abramov) -0.5633957E+00 Hb(Abramov) -0.1752115E+00 Ex_ueg -0.1035056E+00 Ec_ueg -0.1368560E-01 Delta_ex -0.1016649E+00 Delta_ec 0.1904871E-01 Delta_et -0.2632390E+00 Pxc 0.7563107E+01 Qxc -0.5337101E+01 3,-1 156 3 -1 -2.978719 -2.090227 -0.786024 Rho 0.1357325E+00 |GRAD(Rho)| 0.5672891E-15 GRAD(Rho)x 0.7332595E-16 GRAD(Rho)y 0.1763438E-16 GRAD(Rho)z -0.5622537E-15 Laplacian 0.5227281E+00 (-1/4)Del**2(Rho)) -0.1306820E+00 Diamond 0.9550795E+00 Metallicity 0.4725818E+01 Ellipticity 0.3730569E-01 Gb(Abramov) 0.1900513E+00 Vb(Abramov) -0.2494205E+00 Hb(Abramov) -0.5936923E-01 Ex_ueg -0.5151853E-01 Ec_ueg -0.7536542E-02 Delta_ex -0.5496037E-01 Delta_ec 0.1390880E-01 Delta_et -0.1830757E+00 Pxc 0.6835832E+01 Qxc -0.3951481E+01 3,-1 157 3 -1 -3.259762 -2.196343 2.299846 Rho 0.2197239E+00 |GRAD(Rho)| 0.6758141E-12 GRAD(Rho)x 0.5172794E-12 GRAD(Rho)y 0.8190963E-13 GRAD(Rho)z -0.4271271E-12 Laplacian 0.8026653E+00 (-1/4)Del**2(Rho)) -0.2006663E+00 Diamond 0.2561546E+01 Metallicity 0.6868695E+01 Ellipticity 0.1839506E-01 Gb(Abramov) 0.3634969E+00 Vb(Abramov) -0.5263274E+00 Hb(Abramov) -0.1628305E+00 Ex_ueg -0.9792379E-01 Ec_ueg -0.1304876E-01 Delta_ex -0.9483178E-01 Delta_ec 0.1828599E-01 Delta_et -0.2526455E+00 Pxc 0.7504452E+01 Qxc -0.5186034E+01 3,-1 158 3 -1 0.073430 4.539195 -0.001969 Rho 0.2249830E+00 |GRAD(Rho)| 0.1080999E-13 GRAD(Rho)x -0.3825634E-14 GRAD(Rho)y -0.9797393E-14 GRAD(Rho)z 0.2496302E-14 Laplacian 0.8045688E+00 (-1/4)Del**2(Rho)) -0.2011422E+00 Diamond 0.2649591E+01 Metallicity 0.7127977E+01 Ellipticity 0.5264993E-03 Gb(Abramov) 0.3730510E+00 Vb(Abramov) -0.5449597E+00 Hb(Abramov) -0.1719088E+00 Ex_ueg -0.1010613E+00 Ec_ueg -0.1340721E-01 Delta_ex -0.9568568E-01 Delta_ec 0.1828748E-01 Delta_et -0.2533302E+00 Pxc 0.7537828E+01 Qxc -0.5232306E+01 3,-1 159 3 -1 1.932792 -2.561383 -1.681431 Rho 0.2352008E+00 |GRAD(Rho)| 0.2938177E-15 GRAD(Rho)x -0.1534146E-15 GRAD(Rho)y -0.2444876E-15 GRAD(Rho)z 0.5494195E-16 Laplacian 0.9052278E+00 (-1/4)Del**2(Rho)) -0.2263070E+00 Diamond 0.3089807E+01 Metallicity 0.6822131E+01 Ellipticity 0.1451080E-01 Gb(Abramov) 0.4081873E+00 Vb(Abramov) -0.5900676E+00 Hb(Abramov) -0.1818803E+00 Ex_ueg -0.1072269E+00 Ec_ueg -0.1410799E-01 Delta_ex -0.1086046E+00 Delta_ec 0.1977670E-01 Delta_et -0.2722749E+00 Pxc 0.7600433E+01 Qxc -0.5491545E+01 3,-1 160 3 -1 -3.210355 2.224820 2.321474 Rho 0.2234112E+00 |GRAD(Rho)| 0.2576942E-12 GRAD(Rho)x 0.1728771E-12 GRAD(Rho)y -0.1040098E-12 GRAD(Rho)z -0.1603177E-12 Laplacian 0.8049659E+00 (-1/4)Del**2(Rho)) -0.2012415E+00 Diamond 0.2621315E+01 Metallicity 0.7041694E+01 Ellipticity 0.8046007E-02 Gb(Abramov) 0.3703412E+00 Vb(Abramov) -0.5394408E+00 Hb(Abramov) -0.1690997E+00 Ex_ueg -0.1001209E+00 Ec_ueg -0.1329992E-01 Delta_ex -0.9551654E-01 Delta_ec 0.1825667E-01 Delta_et -0.2524993E+00 Pxc 0.7527936E+01 Qxc -0.5231871E+01 3,-1 161 3 -1 -3.198406 2.206756 -2.291900 Rho 0.2341412E+00 |GRAD(Rho)| 0.5771038E-15 GRAD(Rho)x 0.2282246E-16 GRAD(Rho)y -0.9215718E-17 GRAD(Rho)z -0.5765787E-15 Laplacian 0.8611623E+00 (-1/4)Del**2(Rho)) -0.2152906E+00 Diamond 0.2951412E+01 Metallicity 0.7117454E+01 Ellipticity 0.7753549E-02 Gb(Abramov) 0.3989139E+00 Vb(Abramov) -0.5825372E+00 Hb(Abramov) -0.1836233E+00 Ex_ueg -0.1065833E+00 Ec_ueg -0.1403505E-01 Delta_ex -0.1033498E+00 Delta_ec 0.1911361E-01 Delta_et -0.2643018E+00 Pxc 0.7594074E+01 Qxc -0.5407131E+01 3,-1 162 3 -1 -2.985400 2.054453 -0.789636 Rho 0.1419403E+00 |GRAD(Rho)| 0.3582678E-15 GRAD(Rho)x -0.2794938E-15 GRAD(Rho)y 0.2085734E-15 GRAD(Rho)z 0.8207410E-16 Laplacian 0.5599106E+00 (-1/4)Del**2(Rho)) -0.1399776E+00 Diamond 0.1068154E+01 Metallicity 0.4753397E+01 Ellipticity 0.3978637E-01 Gb(Abramov) 0.2042133E+00 Vb(Abramov) -0.2684490E+00 Hb(Abramov) -0.6423568E-01 Ex_ueg -0.5468389E-01 Ec_ueg -0.7929591E-02 Delta_ex -0.5938909E-01 Delta_ec 0.1452198E-01 Delta_et -0.1920446E+00 Pxc 0.6896181E+01 Qxc -0.4089601E+01 3,-1 163 3 -1 2.841019 1.765882 0.887907 Rho 0.1262477E+00 |GRAD(Rho)| 0.1984808E-15 GRAD(Rho)x -0.7885877E-16 GRAD(Rho)y -0.2101445E-16 GRAD(Rho)z 0.1809262E-15 Laplacian 0.5259916E+00 (-1/4)Del**2(Rho)) -0.1314979E+00 Diamond 0.8579364E+00 Metallicity 0.4162363E+01 Ellipticity 0.1706658E-01 Gb(Abramov) 0.1788890E+00 Vb(Abramov) -0.2262800E+00 Hb(Abramov) -0.4739104E-01 Ex_ueg -0.4677526E-01 Ec_ueg -0.6940846E-02 Delta_ex -0.5406174E-01 Delta_ec 0.1372324E-01 Delta_et -0.1775777E+00 Pxc 0.6739130E+01 Qxc -0.3939429E+01 3,-1 164 3 -1 0.864304 -0.679650 3.468409 Rho 0.1468814E+00 |GRAD(Rho)| 0.3027660E-15 GRAD(Rho)x 0.2145636E-15 GRAD(Rho)y 0.2111484E-15 GRAD(Rho)z -0.3234311E-16 Laplacian 0.5882950E+00 (-1/4)Del**2(Rho)) -0.1470737E+00 Diamond 0.1160600E+01 Metallicity 0.4789562E+01 Ellipticity 0.5703073E-01 Gb(Abramov) 0.2154523E+00 Vb(Abramov) -0.2838309E+00 Hb(Abramov) -0.6837856E-01 Ex_ueg -0.5723662E-01 Ec_ueg -0.8244176E-02 Delta_ex -0.6283318E-01 Delta_ec 0.1497005E-01 Delta_et -0.1986152E+00 Pxc 0.6942673E+01 Qxc -0.4197260E+01 3,-1 165 3 -1 -2.150160 -2.927036 1.698508 Rho 0.2225977E+00 |GRAD(Rho)| 0.3880078E-13 GRAD(Rho)x 0.2693727E-13 GRAD(Rho)y -0.1805560E-13 GRAD(Rho)z -0.2130443E-13 Laplacian 0.8437124E+00 (-1/4)Del**2(Rho)) -0.2109281E+00 Diamond 0.2702911E+01 Metallicity 0.6677593E+01 Ellipticity 0.1070504E-01 Gb(Abramov) 0.3753674E+00 Vb(Abramov) -0.5398067E+00 Hb(Abramov) -0.1644393E+00 Ex_ueg -0.9963518E-01 Ec_ueg -0.1324445E-01 Delta_ex -0.9982817E-01 Delta_ec 0.1881340E-01 Delta_et -0.2587831E+00 Pxc 0.7522790E+01 Qxc -0.5306226E+01 3,-1 166 3 -1 -2.110544 -2.912008 -1.664546 Rho 0.2316492E+00 |GRAD(Rho)| 0.2856336E-10 GRAD(Rho)x 0.1129018E-10 GRAD(Rho)y -0.2621435E-10 GRAD(Rho)z 0.1097830E-11 Laplacian 0.8921161E+00 (-1/4)Del**2(Rho)) -0.2230290E+00 Diamond 0.2985445E+01 Metallicity 0.6749057E+01 Ellipticity 0.1219827E-01 Gb(Abramov) 0.3995586E+00 Vb(Abramov) -0.5760882E+00 Hb(Abramov) -0.1765296E+00 Ex_ueg -0.1050734E+00 Ec_ueg -0.1386376E-01 Delta_ex -0.1065829E+00 Delta_ec 0.1953460E-01 Delta_et -0.2686165E+00 Pxc 0.7578999E+01 Qxc -0.5456109E+01 3,-1 167 3 -1 -1.772747 -1.635967 -2.340996 Rho 0.1320969E+00 |GRAD(Rho)| 0.2546453E-15 GRAD(Rho)x 0.1574262E-15 GRAD(Rho)y 0.1495454E-15 GRAD(Rho)z -0.1330316E-15 Laplacian 0.5505795E+00 (-1/4)Del**2(Rho)) -0.1376449E+00 Diamond 0.9686983E+00 Metallicity 0.4288255E+01 Ellipticity 0.1333542E-01 Gb(Abramov) 0.1901393E+00 Vb(Abramov) -0.2426337E+00 Hb(Abramov) -0.5249443E-01 Ex_ueg -0.4968688E-01 Ec_ueg -0.7307505E-02 Delta_ex -0.5745258E-01 Delta_ec 0.1463994E-01 Delta_et -0.1916542E+00 Pxc 0.6799432E+01 Qxc -0.3924372E+01 3,-1 168 3 -1 3.223060 2.356550 -2.237311 Rho 0.2372879E+00 |GRAD(Rho)| 0.7500406E-15 GRAD(Rho)x -0.1091249E-15 GRAD(Rho)y -0.7312402E-15 GRAD(Rho)z 0.1262553E-15 Laplacian 0.8506723E+00 (-1/4)Del**2(Rho)) -0.2126681E+00 Diamond 0.2981460E+01 Metallicity 0.7367329E+01 Ellipticity 0.7252024E-02 Gb(Abramov) 0.4029113E+00 Vb(Abramov) -0.5931546E+00 Hb(Abramov) -0.1902432E+00 Ex_ueg -0.1084973E+00 Ec_ueg -0.1425183E-01 Delta_ex -0.1025484E+00 Delta_ec 0.1898798E-01 Delta_et -0.2634877E+00 Pxc 0.7612869E+01 Qxc -0.5400700E+01 3,-1 169 3 -1 -2.998773 -2.107086 0.805751 Rho 0.1361701E+00 |GRAD(Rho)| 0.9116868E-12 GRAD(Rho)x -0.7546586E-12 GRAD(Rho)y -0.4654122E-12 GRAD(Rho)z 0.2122611E-12 Laplacian 0.5170455E+00 (-1/4)Del**2(Rho)) -0.1292614E+00 Diamond 0.9374973E+00 Metallicity 0.4803457E+01 Ellipticity 0.4882590E-01 Gb(Abramov) 0.1896578E+00 Vb(Abramov) -0.2500542E+00 Hb(Abramov) -0.6039644E-01 Ex_ueg -0.5174010E-01 Ec_ueg -0.7564167E-02 Delta_ex -0.5428207E-01 Delta_ec 0.1352729E-01 Delta_et -0.1777167E+00 Pxc 0.6840159E+01 Qxc -0.4012783E+01 3,-1 170 3 -1 3.222402 2.357503 2.250867 Rho 0.2265889E+00 |GRAD(Rho)| 0.8205037E-14 GRAD(Rho)x 0.1119439E-15 GRAD(Rho)y 0.8132004E-14 GRAD(Rho)z 0.1086560E-14 Laplacian 0.7963153E+00 (-1/4)Del**2(Rho)) -0.1990788E+00 Diamond 0.2655571E+01 Metallicity 0.7287736E+01 Ellipticity 0.7202649E-02 Gb(Abramov) 0.3745249E+00 Vb(Abramov) -0.5499709E+00 Hb(Abramov) -0.1754460E+00 Ex_ueg -0.1020242E+00 Ec_ueg -0.1351697E-01 Delta_ex -0.9493975E-01 Delta_ec 0.1817202E-01 Delta_et -0.2522704E+00 Pxc 0.7547861E+01 Qxc -0.5224501E+01 3,-1 171 3 -1 -2.992618 2.054132 0.818175 Rho 0.1266395E+00 |GRAD(Rho)| 0.2402572E-15 GRAD(Rho)x 0.2883300E-16 GRAD(Rho)y -0.2356039E-15 GRAD(Rho)z 0.3718813E-16 Laplacian 0.4939304E+00 (-1/4)Del**2(Rho)) -0.1234826E+00 Diamond 0.8127025E+00 Metallicity 0.4455496E+01 Ellipticity 0.4166127E-01 Gb(Abramov) 0.1740178E+00 Vb(Abramov) -0.2245529E+00 Hb(Abramov) -0.5053516E-01 Ex_ueg -0.4696892E-01 Ec_ueg -0.6965336E-02 Delta_ex -0.5085499E-01 Delta_ec 0.1296761E-01 Delta_et -0.1680490E+00 Pxc 0.6743239E+01 Qxc -0.3921693E+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 73 147 144 108 146 164 152 153 107 154 143 136 105 142 117 148 111 69 73 112 133 132 158 115 96 77 149 83 93 90 124 139 122 91 168 54 100 104 162 126 161 99 98 125 169 165 157 55 151 167 156 166 155 53 68 141 171 129 160 121 163 140 123 138 170 84 95 159 150 79 94 74 72 82 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 37 2.388510 1.931746 1.909480 1.949677 1.930519 1.746531 1.570337 1.550778 1.574468 1.570246 2.394348 1.919880 1.928115 1.932853 1.941853 1.746001 2.517845 1.933270 1.952449 1.900631 1.927528 1.741583 2.482636 1.929722 1.749275 2.177174 1.982974 1.758721 2.605960 1.926946 1.942448 1.854208 1.962302 1.748115 2.429935 1.824423 1.950192 1.945416 2.003220 1.752799 2.426820 2.249396 1.982888 1.939438 1.744722 1.750783 2.328830 2.187616 1.961162 1.963710 1.756126 1.761374 2.496105 1.803517 1.945486 1.967820 2.045800 1.744303 2.659170 1.957195 1.959769 1.843713 1.956027 1.739244 2.500126 1.941323 1.751113 2.152567 1.978333 1.758665 3.039547 3.258944 3.265726 2.389892 1.932218 1.909893 1.950223 1.931084 1.746537 1.570378 1.550875 1.574486 1.570265 2.395724 1.920274 1.928561 1.933481 1.942453 1.746007 2.518939 1.933887 1.953052 1.901255 1.928206 1.741598 2.483749 1.930169 1.749305 2.177715 1.983553 1.758752 2.606951 1.927426 1.942949 1.854630 1.962854 1.748123 2.430986 1.824803 1.950513 1.945907 2.003790 1.752810 2.428482 2.249891 1.983497 1.940192 1.744757 1.750824 2.330446 2.187979 1.961575 1.964286 1.756136 1.761387 2.497084 1.803951 1.945960 1.968542 2.046560 1.744318 2.659994 1.957786 1.960484 1.844282 1.956722 1.739259 2.501197 1.941700 1.751145 2.153062 1.978900 1.758700 3.053236 3.260866 3.267356 27 23 23 23 23 22 19 21 19 21 27 23 23 27 25 21 31 28 26 24 24 21 29 24 24 26 26 23 29 25 26 23 26 21 28 22 23 23 25 21 27 26 24 23 22 22 28 25 23 23 21 21 29 24 23 23 24 21 29 23 23 22 26 21 29 23 21 25 27 22 33 35 35 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 W P W Mo W W W Mo W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4340 2.3098 2.4497 2.2844 2.3314 2.4215 2.4082 2.2133 2.3557 2.2791 2.2625 2.3330 -1.0440 -0.9886 -1.0463 -1.0356 -0.8596 -0.9927 -0.9265 -0.9415 -0.7745 -0.9139 -0.9819 -0.9388 -0.9666 -0.9528 -0.9350 -0.7733 -0.9026 -0.9717 -0.9658 -0.9567 -0.9473 -0.9925 -0.9215 -0.8076 -0.7292 -0.9456 -0.9909 -0.9810 -0.8139 -0.8518 -0.8158 -0.7619 -0.8506 -0.8281 -0.8357 -0.7697 -0.8501 -0.7648 -0.7562 2.0971 2.5178 2.0976 1.9602 2.1348 2.0961 2.1021 2.0068 2.1390 1.9471 1.9704 2.1322 1.8972 1.9002 1.8969 1.8949 1.9565 1.9305 1.9418 1.9337 1.9652 1.9371 1.9295 1.9346 1.9306 1.9337 1.9343 1.9656 1.9501 1.9415 1.9425 1.9424 1.9400 1.9384 1.9441 1.9563 1.9694 1.9430 1.9398 1.9378 1.9614 1.9558 1.9617 1.9689 1.9561 1.9602 1.9584 1.9665 1.9544 1.9685 1.9711 6.1029 7.3531 6.1014 6.0923 6.1198 6.1024 6.1065 6.0972 6.1070 6.0976 6.0989 6.1214 5.1084 5.0503 5.1109 5.1019 4.8752 5.0323 4.9544 4.9801 4.7743 4.9520 5.0233 4.9761 5.0061 4.9923 4.9740 4.7725 4.9251 5.0005 4.9937 4.9847 4.9780 5.0229 4.9515 4.8186 4.7288 4.9748 5.0199 5.0119 4.8183 4.8637 4.8198 4.7618 4.8622 4.8339 4.8440 4.7732 4.8637 4.7655 4.7533 3.3361 0.8194 3.3214 3.6632 3.3855 3.3506 3.3534 3.6828 3.3696 3.6762 3.6681 3.3848 0.0384 0.0381 0.0385 0.0388 0.0279 0.0299 0.0302 0.0276 0.0351 0.0249 0.0291 0.0281 0.0298 0.0268 0.0267 0.0352 0.0273 0.0296 0.0295 0.0295 0.0293 0.0312 0.0260 0.0327 0.0310 0.0278 0.0312 0.0314 0.0342 0.0323 0.0342 0.0313 0.0323 0.0340 0.0332 0.0300 0.0319 0.0308 0.0318 14.0298 0.0000 14.0298 0.0000 14.0284 14.0294 14.0298 0.0000 14.0288 0.0000 0.0000 14.0285 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W Mo W W W Mo W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.517030 2.007854 2.518324 3.178875 2.469262 2.497146 2.498073 3.152721 2.496019 3.165533 3.167313 2.469759 -1.045210 -1.019508 -1.026127 -1.092653 -1.142933 -0.984653 -0.953702 -1.087790 -0.839545 -1.207057 -0.973570 -1.088223 -0.975134 -1.077832 -1.091958 -0.835914 -1.097936 -1.090187 -0.971977 -1.082073 -1.081174 -0.972905 -1.188454 -0.861526 -1.007321 -1.093903 -0.969217 -0.971518 -0.852287 -0.902042 -0.854227 -1.037792 -0.899282 -0.869572 -0.879590 -1.043068 -0.897605 -1.041164 -1.031279 1.953485 1.592409 1.939743 2.364557 1.938366 1.937628 1.932839 2.358003 1.951044 2.360144 2.358335 1.931519 -0.766689 -0.768488 -0.725007 -0.830649 -0.909685 -0.722796 -0.737240 -0.836135 -0.729733 -0.932145 -0.715952 -0.824906 -0.727545 -0.818772 -0.827466 -0.723401 -0.901779 -0.876690 -0.814685 -0.880318 -0.872891 -0.795322 -0.978088 -0.769083 -0.803868 -0.897469 -0.788334 -0.794233 -0.755299 -0.820366 -0.767010 -0.826298 -0.812630 -0.776546 -0.782543 -0.846233 -0.818220 -0.825293 -0.818267 2.058827 1.566352 2.043513 2.460740 2.023845 2.048093 2.037234 2.458785 2.046230 2.444445 2.454082 2.024587 -0.827550 -0.809414 -0.794829 -0.874156 -0.947097 -0.817053 -0.803174 -0.927237 -0.736915 -1.014753 -0.812150 -0.898000 -0.803570 -0.921116 -0.912750 -0.727609 -0.921379 -0.927672 -0.839050 -0.934724 -0.906852 -0.844379 -1.015716 -0.759207 -0.792901 -0.936850 -0.843725 -0.828354 -0.717050 -0.793740 -0.730578 -0.788293 -0.782647 -0.741152 -0.739812 -0.834782 -0.798338 -0.781794 -0.780365 0.28775538 2.48492529 2.50336513 3.53899616 -20.66850661 2.50575533 -2.60106896 16.31578083 -0.74177054 4.35272578 -359.9917 401.5245 -50.3440 -385.0924 -58.4903 -452.3940 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 Apr26-2024 22:54:10 Nodes: 1 Procs: 1 0 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Apr26-2024 22:54:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Apr26-2024 22:54:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr26-2024 22:54:13 Nodes: 1 Procs: 1 Apr26-2024 22:54:14 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr26-2024 22:54:16 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -15.95494685 -16.39722919 -16.22603193 -16.51184182 -16.58861081 -16.60532677 -16.61002675 -16.61736949 -16.62025760 -16.62255763 -16.62361568 -16.62448606 -16.62484146 -16.62502304 -16.62506032 -16.62511694 -16.62514618 -16.62516183 -16.62517242 GEOMETRY CONVERGED